#!/bin/sh

# Collect -D & -m options as java arguments
command=java
while [ `echo $1 | egrep '^-D|^-m' | wc -l` != 0 ]; do
	command="$command $1"
	shift
done

if [ -f ./Jmol.jar ] ; then
  jarpath=./Jmol.jar
elif [ -f $JMOL_HOME/Jmol.jar ] ; then
  jarpath=$JMOL_HOME/Jmol.jar
elif [ -f /usr/share/jmol/Jmol.jar ] ; then
  jarpath=/usr/share/jmol/Jmol.jar
else
  echo Jmol.jar not found
  exit
fi
$command -Xmx512m -jar $jarpath $@
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        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js'u	ta*y+p6T|G໸(Ї^҆I,iʺx#]l.	|18~ U(p=
6.,IœWpQuԣywL32@?Y	o#3'M36랮P=4xAgEC_%
js9٧[~MK1S%z7ȕ%VA_b.Eֽɔ	~?xYQOlϜW:y{mCT{)H;aG:'_m^aX;%eZFqc9W3sv64UrFetEt`kEsrnR=ErƫI)=Ώc"Lg+WƧ.[{uYC	l^|a}fưiưlyZjW~epBO5Ւ1Rf 匔)ixT3I'#*rȁ_v;<W!2<:Q!uԕkd&wrB߉xfZi$CbmUY8eSCOO߈r[s.{wYͻVZV]-Y]z>ɝAoڰa
5%71IgL|ܼF3kX	zB"]FңJ}aY3ge\27I3ִǍ&t3({]r\tkn+
4)Ewb9lj򎣉s: >)WCI̻9kdfd`~Lэ$QCd*E
.BS
Df@xeb"1n(lyiS:(^%d]&ػElF,L kcBceɢyDl-,m9dt__@S汝%vl%pñK/3눰%29Kc~dnNP<ZrED	Zo)ۧ nJ0,*aD(YoE"}|օBChVInGKXr{׾BupCb"n|mx<T82@&T/2u~@&Ra2R5uS&uY{ohm7^ƞp
{({%cy<8|DM@UBFobb\)XvE!ZYH<h]b_<EPBKLy5	ahdGZi80/)oyǱTpR
_@(vqۋqqP'3Ӷ=H*PK9d  &  PK   +:            &   org/jmol/shapesurface/Isosurface.class9	`o~n>Bv"CH La͗n@zj(^ZZhԢZk{Z=CC}{$ly3f̛O>$V!q
`6R`A5{fWnU׹#Q]fn FBԻͦ-n
 O*)7+?ML>Cu9ns {
_F~]njQ^|Q*ܧ.VA"9` &/
ѾJG	
4xLl9A$K0
OIBQ)V7[_##4
ϑ_W*,*d<
t÷|[^"%Sa2P*JT
PRW+^S
n85!$h~K~oΠrᎼM#5侮l'yW?UyO?U/B
!W{8WrI"_{qn*Rsݨ,Cs`qQo541$+"=S3`SuGHjJ0>Mg*,jVt9>S砂\jT>>IiҥrW|+U>WT^*_*Vy
_f/]Ħϧb/0KIe.Vy-\|%68zVOzj5PiԬ%ԻzҒDu|=g#5Tެ$o%y}."h%iԻ_Jd,PyAtNwwrw"Ԅ	-{h+a"fsdzw|p!z⾗+*~55ĵ:5U
AS\f,mĺY#ʝݑPe+czQ&D]Lw1;iBfgWw`&˨5F׆V%t7ۍ>n3ntzCHh8Mne3߁囱]Tp岌;w*F݈*-QWa#RDI^BXMCՎʵ4jAZdU8i'f{f.kuT7w΀tVJs<}X,4qc]$MK̰_L*\CH<OW
;+Qܝń"fN\<2f4^^̈oFzh|sfAַ4q"`_ũי|VOd95{i_*A= rE{æ1Ml7c@}c\JJLĕWrMs3Dqx$va٘mۊG+Z1҆N}=]!:9jMBZ
X:562Ȩ4{FǊ	E{BFl(@O?k~J0
Pzc6l^Qv>n[h'ֆdↆq8g٘&۷kRaB/@뺌NP8P-2-nwD8bIO
ŕF<`PYD{E@ :RmQ1nvhss V`3O'kP?ip,נaə4X	~oy
E'iVy(sRkhivIhOw;$wIN<x?Gܥ5~V<pʦdLTjJ5~/"ҥ_5 \cD^|?D&smWN:|V"@Ah `HK
D_&
ƿEbrRFH}XC	vU㏓YDxw>< C"De@HN2¬'Ƈb3nCc퍵@ƟOj!:1c0A4;xkl/7pn.TaMkƟ_ӠuJR63iPDGo8HAA7`۱w(Y?ǿ:P-A	vaqh&Mdb<<6ڰ~KeM5,w6kP$`\RZ"
0: R+ɕ7?ʏ)>
ME.6I6&9)FafA{

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                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         FORMAT :100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :12                                                                      SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:19578930                            0                                   NOVERFL:-1                      0                       0                       MINIMUM:18                                                                      MAXIMUM:166                                                                     NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_12_0014.sfrm                            CREATED:05/22/12                            02:55:57                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :338.000000                                                              INCREME:4.000000                                                                NUMBER :14                                                                      NFRAMES:21                                                                      ANGLES :118.000000        338.000000        306.568787        54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.761906                                                               SOURCEM:0.641172                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5356                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :248.000000                          236.000000                          AXIS   :2                                                                       ENDING :118.000000        342.000000        306.568787        54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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3000 0  0 
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3X>E{uus9+2"=!!0 3DBbech = 0.053  &Blmnd&= E   #Cndributing = 2   InitialProfyFuWd0=0!.% !Btsy~05Cu}01C~giapsm(czit0%-((3;   FM - !!Bugyn0%:0Cesdin 1->3  0  0  0  0# 0$ 0# 0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11 #5 $0 #0    0  0  Y/@ygyq .00> 000 Dxrecx -00. %000 R|e~w -4F03 3yontriauexne2=") '2Xnxe}r}AbosileWt  ">0& 
Jugn3"
Cem0- 1+0 0]axy}u}0=0#. $3&)4#- 0FM = 5
0Feepon7#99Afwfp{|2!</3
# 0 
040080!100800420000000 00  0 0000000240080!1008000    3 1! "" &)1&"2(!37#29 140
$ 0 
0300600800600300000000 00  0 000000003006008006000    0  % !! "'1 %22&29 22 110
# 0 
0000300400300000000000 00  0 000000300403304003000    0    0& !% $'1 !14%11  50
  0 
0000000000000000000000 00  0 000300600800600300000    0  # !! "" ") !" %! 3# 00
  0 
0000000002000000000000 00  0 00040080!100800400000
Y/Sigmu <40,)0#7 Vqrdgh0)  >%000
S 9-oc S* Sv ;7;<yvxzDg = 0   JniriadPrifioeWt = 1.000
Rfgxnn2;
A~m2?  :  #MaxCmu}0=0 . "3&!4#+ 00F]0=0!
1BOgion 9: Pecqiob 1(>3	  0  0  0  0  0 !01)0 %01)0 !  0  0
 000000003006008006003 0  0 
 0  0# !! "" ") "" !  3  0  0  0 $01$02*03#02*01$  4  0
 0000030!10"20"90"20!1 0# 0 
 0  3& &" '' &! $' "  6  0  0  0 (02)06!07(06!02)  8  0
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050!18!&9!'10"80&10"0 (  0    2 11 37"78100 78 3701!  2  # 0& 8(29&61#78 61 290
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85"(1& 4')1&15"900800    2 1! #' '(1   '( !' !! 02    0  ( ") &! '( &! ") 0( 00
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7Bwuz{y4#+3Grsf{n6'.9  0  8 29 61 78 61 29  8    0  0  6 22 47 61 47 22  6   
0 0  3 11 22 29 22 11  3 
1BOgion =:1Weq~i|m &'>'  4  0  0  0 #01!02"02)02"01!  3  0
 000000230060080060030 0  0 
 0  0  0! !) 0% !) 0  0  0  3  6  8 #6 %3 ,0 %0 #  0  0
 40080!100800400000000 0  0 
 3  6# )! $" !+ "" !  3  3 11 22 29 12 71 (3 &0 #  0  4
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  0#
%1!&2"+9#%2"(1!430400    0  # 0" 0  !' 0+ 0$ 0  00    0  $ 0( !! 0* 0$ 0  0  00
  0 
3X>E{uus9+2"=!!0 3DBbech = 0.053  &Blmnd&= E   #Cndributing = 2   InitialProfyFuWd0=0!.% !Btsy~06Cu}01C~giaqsm(czit0%-((3;   FM - !!Bugyn0&:0Cesdin 1->3  0  0  0  0# 0$ 0# 0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11 #5 $134.268   0.88   10.07 0.397  0.033  0.5 0.000 0.795  0.00 .07-.05-.00 1.3 .55 .04
     0.910    105      4    105      4 91.4   130.384   0.86   10.15 0.233  0.023  0.4 0.000 0.465  0.00 .30-.06-.01 1.2 .47 .04
     1.919    104      6    104      6 94.2   118.478   0.81   10.01 0.382  0.024  0.3 0.000 0.764  0.00-.14-.16 .00 1.3 .56 .06
     2.929     97      5     97      5 96.9   107.338   0.74   10.08 0.400  0.011  0.3 0.000 0.800  0.00 .19-.37-.00 1.7 .71 .05
     3.938    119      5    119      5 92.4   107.962   0.72    9.86 0.621  0.010  0.3 0.000 1.243  0.00-.17-.19 .00 1.5 .58 .05
     4.948     86      4     86      4 94.2   135.107   0.89   10.23 0.325 -0.012  0.2 0.000 0.651  0.00 .05-.33 .00 1.1 .65 .04
     5.957    130      1    130      1 95.4    98.022   0.66    9.8417.653  0.001  0.1 0.00035.307  0.00-.42-.32 .01 1.3 .71 .05
     6.967     96      0     96      0 97.9    90.940   0.62   10.18 0.000  0.000  0.0 0.000 0.000  0.00 .13-.45-.01 1.3 .73 .05
     7.976    107      0    107      0 98.1    67.886   0.44    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.10-.33-.00 1.4 .71 .06
     8.986     96      0     96      0 94.8    90.822   0.63    9.85 0.000  0.000  0.0 0.000 0.000  0.00 .01-.43 .00 1.4 .73 .04
     9.995    119      0    119      0 95.8    74.567   0.52    9.90 0.000  0.000  0.0 0.000 0.000  0.00 .35-.43-.01 1.7 .75 .06
    11.005    106      0    106      0 97.2    60.728   0.44    9.93 0.000  0.000  0.0 0.000 0.000  0.00-.22-.35 .00 1.4 .79 .05
    12.014     89      0     89      0 97.8    52.384   0.36    9.80 0.000  0.000  0.0 0.000 0.000  0.00-.03-.40 .00 1.5 .71 .06
    13.024    127      0    127      0 99.2    44.339   0.33    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.03-.36-.00 1.6 .74 .04
    14.033     88      0     88      0100.0    36.681   0.25    9.90 0.000  0.000  0.0 0.000 0.000  0.00 .10-.45-.00 1.5 .87 .05
    15.043    117      0    117      0 99.1    43.049   0.31    9.54 0.000  0.000  0.0 0.000 0.000  0.00 .13-.32-.00 1.6 .73 .06
    16.052    113      0    113      0100.0    32.153   0.23    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.17-.44-.00 1.4 .75 .05
    17.062    101      1    101      1100.0    33.456   0.24    9.82 1.231 -0.038  1.0 0.000 2.462  0.00-.27-.45 .00 1.7 .83 .05
    18.071    108     12    108     12100.0    36.659   0.26    9.58 0.551 -0.120  0.4 0.000 1.102  0.00 .16-.23-.00 1.9 .79 .06
    19.081    107     18    107     18100.0    28.787   0.21    9.77 0.612 -0.188  0.3 0.000 1.224  0.00-.08-.37 .01 1.9 .80 .07
    20.090
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    134     21    134     21100.0    23.212   0.17    9.72 0.672 -0.263  0.3 0.000 1.344  0.00-.14-.35 .01 1.7 .79 .06
    10.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    20.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    30.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    40.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    50.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    60.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    70.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    80.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    90.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   100.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   110.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   120.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   130.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   140.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   150.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   160.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   170.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   180.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   190.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   200.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   210.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   220.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   230.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   240.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   250.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   260.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   270.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   280.000    134      7    134      7 93.3   132.551   0.91   10.09 0.337  0.028  0.5 0.000 0.673  0.00 .04-.06-.00 1.2 .53 .04
   290.000    260     14    260     14 94.2   118.689   0.78   10.07 0.352  0.022  0.4 0.000 0.705  0.00 .13-.20-.00 1.5 .60 .06
   300.000    258     10    258     10 93.4   113.974   0.76    9.97 0.492  0.001  0.3 0.000 0.985  0.00-.18-.28 .00 1.3 .63 .04
   310.000    277      0    277      0 97.5    85.755   0.57    9.93 0.000  0.000  0.0 0.000 0.000  0.00-.07-.36 .00 1.4 .72 .06
   320.000    263      0    263      0 95.8    80.899   0.57    9.87 0.000  0.000  0.0 0.000 0.000  0.00 .09-.45-.01 1.5 .77 .05
   330.000    270      0    270      0 98.1    49.116   0.35    9.84 0.000  0.000  0.0 0.000 0.000  0.00-.03-.34 .00 1.6 .72 .05
   340.000    259      0    259      0 99.6    40.923   0.29    9.69 0.000  0.000  0.0 0.000 0.000  0.00-.01-.37-.00 1.6 .78 .05
   350.000    257     10    257     10100.0    36.041   0.25    9.73 0.518 -0.040  0.5 0.000 1.035  0.00 .02-.38 .00 1.8 .79 .06
   360.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
     Hours      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     5.720    204     10    204     10 92.2   134.499   0.88   10.11 0.320  0.027  0.5 0.000 0.641  0.00 .19-.06-.01 1.3 .51 .04
     5.770    255     13    255     13 94.9   109.808   0.77    9.97 0.419  0.021  0.4 0.000 0.837  0.00-.08-.24-.00 1.5 .62 .05
     5.820    253      8    253      8 94.1   114.224   0.73    9.96 0.447 -0.006  0.2 0.000 0.893  0.00-.17-.29 .00 1.4 .67 .05
     5.870    257      0    257      0 98.1    82.002   0.56   10.03 0.000  0.000  0.0 0.000 0.000  0.00-.01-.39-.00 1.2 .70 .05
     5.920    300      0    300      0 96.0    72.186   0.51    9.85 0.000  0.000  0.0 0.000 0.000  0.00 .06-.40-.00 1.6 .77 .05
     5.970    211      0    211      0 98.6    47.453   0.34    9.77 0.000  0.000  0.0 0.000 0.000  0.00-.03-.38-.00 1.6 .73 .05
     6.020    248      0    248      0 99.6    39.664   0.28    9.69 0.000  0.000  0.0 0.000 0.000  0.00-.01-.38-.00 1.6 .79 .05
     6.070    252     10    252     10100.0    36.323   0.25    9.73 0.518 -0.040  0.5 0.000 1.035  0.00 .02-.38 .00 1.8 .79 .06
     6.120    132     21    132     21100.0    24.393   0.18    9.73 0.672 -0.254  0.3 0.000 1.344  0.00-.13-.35 .01 1.8 .80 .06
     6.170      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.220      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.270      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.320      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.370      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.470      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.520      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.570      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.620      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.670      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.720
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     7.000   2112     31   2081     62 96.9    75.422   0.52    9.88 0.457  0.000  0.4 0.000 1.205  0.00-.01-.32-.00 1.5 .71 .05
     8.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1027     21   1021     27 99.6     8.032   0.06    9.84 0.918 -0.122  0.3 0.000 2.020  0.00-.02-.34-.00 1.7 .78 .05
     0.100    375     12    374     13 97.3   104.209   0.70    9.84 0.343 -0.001  0.3 0.000 0.746  0.00-.06-.41-.00 1.3 .75 .05
     0.200    335      7    335      7 94.6   140.164   0.94    9.91 0.406 -0.003  0.3 0.000 0.812  0.00-.01-.30-.00 1.3 .62 .05
     0.300    216     10    216     10 92.6   159.407   1.04   10.01 0.317  0.026  0.5 0.000 0.634  0.00 .08-.27 .00 1.4 .57 .05
     0.400    124      4    124      4 89.5   190.836   1.25   10.03 0.306  0.008  0.3 0.000 0.613  0.00 .07-.14-.00 1.3 .50 .04
     0.500     28      1     28      1 85.7   219.311   1.38    9.82 0.843  0.014  0.6 0.000 1.685  0.00-.12-.12 .00 .85 .32 .04
     0.600      7      0      7      0100.0   110.212   0.77    9.70 0.000  0.000  0.0 0.000 0.000  0.00-.61 .05 .00 1.4 .37 .00
     0.700      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    231      8    231      8 97.8    66.055   0.39    9.81 0.477  0.001  0.4 0.000 0.955  0.00 .12-.20-.01 1.8 .64 .10
     0.050     85      1     85      1 95.3    92.689   0.52    9.92 0.025 -0.000  0.0 0.000 0.049  0.00 .59-.23 .00 1.9 .63 .08
     0.100     72      1     72      1 97.2    52.101   0.31   10.09 0.067 -0.001  0.0 0.000 0.133  0.00 1.5-.09 .01 2.2 .64 .04
     0.150     52      0     52      0100.0    38.131   0.23    9.85 0.000  0.000  0.0 0.000 0.000  0.00 2.0-.26 .00 2.7 .63 .01
     0.200    102      3    102      3 97.1    65.496   0.52   10.03 0.487  0.007  0.2 0.000 0.973  0.00 .95-.37 .00 2.4 .86 .02
     0.250     96      4     96      4 96.9    72.271   0.57    9.85 0.547  0.001  0.4 0.000 1.094  0.00-.06-.32 .00 .76 .70 .00
     0.300    107      1    107      1 98.1    57.362   0.47    9.96 0.822 -0.002  0.1 0.000 1.643  0.00-.20-.41 .00 .75 .73 .00
     0.350    129      5    129      5 96.9    74.088   0.60    9.89 0.460 -0.009  0.4 0.000 0.919  0.00-.01-.42 .00 .80 .78 .00
     0.400    102      4    102      4 98.0    60.438   0.49   10.04 0.607 -0.036  0.4 0.000 1.214  0.00-.06-.28 .00 .71 .67 .00
     0.450    120      7    120      7 97.5    89.438   0.69    9.96 0.365  0.009  0.4 0.000 0.730  0.00 .05-.46 .00 .70 .70 .00
     0.500     84      4     84      4 96.4    77.128   0.61    9.92 0.629 -0.029  0.5 0.000 1.259  0.00-.06-.37 .00 .63 .68 .00
     0.550     93      3     93      3 97.8    73.299   0.60    9.66 0.217  0.004  0.1 0.000 0.433  0.00-.06-.38 .00 .80 .77 .00
     0.600    134      4    134      4 96.3    78.876   0.62    9.98 0.408  0.021  0.4 0.000 0.815  0.00-.15-.41 .00 .69 .69 .00
     0.650     98      1     98      1 94.9    85.109   0.67    9.97 0.470  0.017  0.8 0.000 0.940  0.00-.13-.44 .00 .58 .75 .00
     0.700    112      3    112      3 93.8    87.364   0.68   10.00 0.324 -0.005  0.3 0.000 0.647  0.00 .06-.43 .00 .75 .76 .00
     0.750     74      5     74      5 93.2    99.493   0.70    9.81 1.049 -0.042  0.5 0.000 2.099  0.00-.61-.31 .00 1.7 .77 .00
     0.800     60      0     60      0 98.3    59.904   0.36    9.68 0.000  0.000  0.0 0.000 0.000  0.00-2.1-.28-.00 2.8 .75 .03
     0.850     69      1     69      1 95.7   100.525   0.57    9.81 0.139  0.003  0.1 0.000 0.278  0.00-1.2-.23-.01 2.0 .71 .05
     0.900     90      3     90      3 95.6   108.489   0.63    9.66 0.434  0.025  0.7 0.000 0.868  0.00-.58-.22-.00 1.8 .70 .08
     0.950    202      4    202      4 99.0    72.083   0.43    9.72 0.272  0.004  0.2 0.000 0.543  0.00-.20-.28-.00 1.8 .73 .10
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_07.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.854      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.707      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.414      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.828      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    29.656      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    59.312      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   118.625     10      0     10      0100.0   -22.923  -0.17   11.38 0.000  0.000  0.0 0.000 0.000  0.00 .00-.09 .00 .54 .83 .00
   237.250   1201     31   1188     44 97.3    71.416   0.57    9.94 0.491 -0.004  0.4 0.000 1.165  0.00-.06-.39 .00 .72 .72 .00
   474.500    901     18    901     18 96.4 u_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
*u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
 u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
 u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
 u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
 u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
 u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is        8
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_09_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_09_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONFIGURE menu)
Faceplate transmittance  :    0.9101 (from CONFIGURE menu)
Phosphor absorption      :    0.9200 (from CONFIGURE menu)
Air absorption (per CM)  :    0.0106 (from CONFIGURE menu)
Active pixel threshold:        0.000 (from Advanced menu)
 
Frames were acquired with BIS 2011.8.1.0/09-Aug-2011:
   Rescan threshold is 95% of A/D conversion range
 
Starting swing angle will be obtained from frame header
Starting omega will be obtained from frame header
Starting phi will be obtained from frame header
Starting chi will be obtained from frame header
Number of exposures summed will be obtained from frame header
Scan axis will be obtained from frame header
Scan width will be obtained from frame header
Exposure time will be obtained from frame header
 
Initial background ================== 05/22/12 10:37:46
Initial background range (deg) =      80.00, interleave = 2
Number of BG pixels >= 64K:               0
 
Initial BG frame written to cu_char419_ib_09_0001.sfrm
 
Nominal time per frame (s):          74.4
Intensity normalization in deg/min:  3.22581
Output intensities are multiplied by this value
   to place on scale of 1 min/deg
 
Reading orientation and spatial calibration ========== 05/22/12 10:37:46
 
Reading spatial correction from /home/ithil/data/char419/work/49YatN.p4p
Single-detector spatial correction will be used
Orientation for 1 component(s) read from /home/ithil/data/char419/work/49YatN.p4p
Detector distance of    5.000 cm was obtained from frame header of first frame in run
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
... Input P4P data for sample 1 of 1:
... This sample is a single crystal with 3 indices (HKL)
 
... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file)
Orientation ("UB") matrix:
  -0.0678131  -0.0946044  -0.0043412
  -0.0727581   0.0232177   0.0008884
   0.0126395   0.0237286  -0.0181774
 
Unit Cell: A           B           C       Alpha        Beta       Gamma
     11.5170     11.5170     53.4481      90.000      90.000     120.000
 
Detector corrections:      X-Cen   Y-Cen    Dist   Pitch    Roll     Yaw
                          -0.227  -0.042  -0.020  -0.120  -0.050  -0.090
 
Goniometer zeros (deg):       0.0000      0.0000      0.0000      0.0000
Crystal translations (pixels):            0.0000      0.0000      0.0000
... End component 1.1(1)
... End sample 1 of 1
 
Mean, a1, a2 wavelength (Angstroms):     1.54184     1.54056     1.54439
Alpha1:alpha2 ratio:                     2.00000
Nominal detector distance (cm):            5.000
X,Y beam center @swing=0 (pixels):        249.13      256.77
 
Input sample map:    1
 
Input components will be treated as follows:
 
 Component   Lattice      PointGroup    Wanted    Indices  Subsystems
    1.1(1)      0=P   -3 (Hexagonal)         Y      3=HKL           1
 
Active pixel mask ================== 05/22/12 10:37:46
Median filter size:   input, used  -1,  2
Mask shrinkage (pix): input, used  -1,  3
Active pixel mask written to cu_char419_am_09_0001.sfrm
Fraction of mask marked active:   0.969
 
Spatially corrected beam center:   249.13  256.77
Scan axis is  2
Direction cosines of rotation axis:     0.000   0.000   1.000
Starting frame angles (degrees):      118.000 285.500 126.340  54.756
Vertical tilt of beam (degrees):       0.0000
Exposures per frame:                        2
Fraction of I to be combined with output sigmas:      0.000
Maximum number of frames to be processed:                50
Wide-frame algorithm will be used.
Individual BG offsets will be used.
Normal dying-average BG will be used.
Direct beam monitor will not be used.
Alpha1,2 splitting will be added to box sizes
Box volumes will be multiplied by exp(    0.00000 * [sin(theta)/lambda]**2)
Target volume factor is   1.000 at   1.000 angstroms
Lorentz cutoff for exclusion from output:           0.0200
Lorentz cutoff for exclusion from model profiles:   0.0750
LS will use individual reflection weights
 
Initial orientation and spot-shape refinement ============== 05/22/12 10:37:46
Input X,Y,Z spot spread (deg):     0.380   0.380   1.010
Scale for orientation update length:   1.000E+00
#Frames running average for orientation update:    6
Frames between full refinements of orientation:   10
#Frames in BG running avg (correlation length):   16
Nominal frame width in degrees:         4.000
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.809   1.809   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  96.37%                Port, connections:  2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   60 -0.56  0.52  0.01  1.31  0.75  0.04 81.254   1   98  0.25    8 0.38 0.38 1.01 1.000
    1_0002   92 -0.20  0.27  0.01  1.53  0.73  0.04 71.108   1   95  0.25   10 0.38 0.38 1.01 1.000
    2_0003  114 -0.34  0.27 -0.00  1.63  0.70  0.05 51.113   0   98  0.22   10 0.38 0.38 1.01 1.000
    3_0004   72 -0.14  0.42  0.00  1.63  0.73  0.08 56.583   0  100  0.21   10 0.38 0.38 1.01 1.000
    4_0005  120 -0.41  0.47 -0.00  1.58  0.84  0.05 52.224   0   96  0.24    9 0.38 0.38 1.01 1.000
    5_0006  104 -0.48  0.31  0.01  1.37  0.68  0.07 60.580   0   99  0.26    9 0.38 0.38 1.01 1.000
    6_0007   99 -0.37  0.27  0.00  2.04  0.92  0.09 33.013   0   98  0.26   10 0.38 0.38 1.01 1.000
    7_0008   95 -0.17  0.64  0.00  1.36  0.93  0.06 71.540   1   96  0.21    9 0.38 0.38 1.01 1.000
    8_0009  104 -0.12  0.36 -0.00  1.61  0.76  0.05 61.053   0   95  0.24    9 0.38 0.38 1.01 1.000
    9_0010  100 -0.10  0.50 -0.00  1.40  0.84  0.05 52.584   0   99  0.22    9 0.38 0.38 1.01 1.000
   10_0011  116  0.11  0.50 -0.00  2.04  0.88  0.07 48.606   0   97  0.22   10 0.38 0.38 1.01 1.000
   11_0012   88 -0.09  0.42 -0.00  1.41  0.75  0.05 49.931   0   99  0.24    9 0.38 0.38 1.01 1.000
   12_0013  111 -0.24  0.40  0.00  1.61  0.79  0.06 56.916   0   97  0.23   10 0.38 0.38 1.01 1.000
   13_0014  100 -0.02  0.44 -0.01  1.68  0.78  0.07 52.380   0   97  0.27    9 0.38 0.38 1.01 1.000
   14_0015   95 -0.34  0.36  0.00  1.40  0.74  0.05 50.702   0   98  0.23   10 0.38 0.38 1.01 1.000
   15_0016  106 -0.17  0.40 -0.00  1.93  0.85  0.08 45.817   0   97  0.23    9 0.38 0.38 1.01 1.000
   16_0017  104  0.01  0.52 -0.00  1.43  0.82  0.05 61.438   0   97  0.24   10 0.38 0.38 1.01 1.000
   17_0018   95  0.12  0.48  0.01  1.64  0.85  0.06 78.655   1   93  0.22    9 0.38 0.38 1.01 1.000
   18_0019   99 -0.12  0.35 -0.00  1.84  0.84  0.06 68.789   1   95  0.25    9 0.38 0.38 1.01 1.000
   19_0020  104 -0.10  0.43  0.00  1.49  0.79  0.05 96.823   1   90  0.26   10 0.38 0.38 1.01 1.000
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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!Region 1: Section 4->6
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
 
New (refined) XYZ spot spread:    0.367   0.367   1.010
 
Integration ============================= 05/22/12 10:37:54
 
Unsorted reflections will be written to:  /home/ithil/data/char419/work/unsorted.raw
Spatially corrected beam center:   249.13  256.77
No reference intensity correction will be made
Input monochromator 2Th, roll (deg):       0.00    0.00
Input X,Y,Z spot spread (deg):     0.367   0.367   1.010
Scale for orientation update length:   1.000E+00
#Frames running average for orientation update:    6
Frames between full refinements of orientation:   10
N, where every Nth strong spot included in LS:     1
 
LS profile fitting will be used
   to worst resolution of 9999.000 A
   up to I/sigma of          8.000
   unweighted fit
 
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.875   1.875   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  96.46%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   67 -0.48  0.53  0.01  1.17  0.76  0.03 49.688   0  100  0.24    8 0.44 0.31 1.01 1.000
    1_0002   93 -0.20  0.28  0.01  1.57  0.74  0.06 38.422   0   98  0.24   10 0.44 0.31 1.01 1.000
    2_0003  114 -0.28  0.26  0.01  1.53  0.68  0.05 28.792   0  100  0.22   10 0.44 0.31 1.01 1.000
    3_0004   72 -0.12  0.40  0.01  1.64  0.72  0.07 31.075   0  100  0.20   10 0.44 0.31 1.01 1.000
    4_0005  120 -0.37  0.44  0.00  1.53  0.83  0.05 24.258   0   99  0.24    9 0.44 0.31 1.01 1.000
    5_0006  105 -0.45  0.31  0.01  1.39  0.70  0.06 30.021   0   99  0.25    9 0.44 0.31 1.01 1.000
    6_0007  100 -0.28  0.31 -0.00  1.93  0.89  0.07 21.044   0   99  0.26   10 0.44 0.31 1.01 1.000
    7_0008   96 -0.14  0.65  0.00  1.40  0.92  0.07 36.698   0   99  0.21    9 0.44 0.31 1.01 1.000
    8_0009  104 -0.14  0.36  0.00  1.55  0.74  0.04 31.931   0   98  0.22    9 0.44 0.31 1.01 1.000
    9_0010  100 -0.04  0.49 -0.00  1.42  0.84  0.05 27.996   0  100  0.22    9 0.44 0.31 1.01 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_09_0001.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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!Region 8: Section 4->6
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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Background pixels updated =  95.86%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   40_0041   97 -0.08 -0.31  0.00  1.58  0.62  0.05 34.358   0   99  0.22    9 0.44 0.31 1.01 1.000
   41_0042  103 -0.07 -0.38  0.00  1.60  0.80  0.06 51.180   0   98  0.26   10 0.44 0.31 1.01 1.000
   42_0043  104 -0.21 -0.39  0.01  1.52  0.80  0.07 41.080   0  100  0.23    9 0.44 0.31 1.01 1.000
   43_0044   90 -0.06 -0.43 -0.00  1.42  0.71  0.06 49.722   0   98  0.23    9 0.44 0.31 1.01 1.000
   44_0045  116 -0.25 -0.47  0.01  1.16  0.77  0.05 40.038   0  100  0.23    9 0.44 0.31 1.01 1.000
   45_0046  108 -0.12 -0.59 -0.00  1.42  0.87  0.05 35.023   0   99  0.21    9 0.44 0.31 1.01 1.000
   46_0047   94 -0.24 -0.32  0.02  1.48  0.70  0.07 34.701   0  100  0.26   10 0.44 0.31 1.01 1.000
   47_0048  115 -0.26 -0.35  0.00  1.53  0.74  0.06 18.116   0  100  0.22   10 0.44 0.31 1.01 1.000
   48_0049   72 -0.24 -0.40 -0.00  1.87  0.80  0.07 23.296   0  100  0.26   10 0.44 0.31 1.01 1.000
   49_0050   76  0.18 -0.53 -0.01  1.08  0.85  0.03 20.115   0  100  0.22    8 0.44 0.31 1.01 1.000
 
Requested number of frames processed: /home/ithil/data/char419/cu_char419_09_0050.sfrm
 
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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!Region 1: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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!Region 2: Section 4->6
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  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11   142100.0    22.773   0.27   10.43 0.572  0.006  0.2 0.631 1.001  1.18 .07 .11-.00 2.0 .59 .06
     7.000    511     92    459    218 99.8    24.377   0.26    9.88 0.613  0.023  0.3 0.705 1.039  1.20-.14 .13 .00 2.1 .83 .07
     8.000    455    106    412    261 97.6    59.726   0.44    9.77 0.570  0.065  0.3 0.756 1.208  1.19-.04 .17 .00 1.4 .75 .06
     9.000    687    134    630    390 94.5   115.412   0.69    9.00 0.435  0.051  0.3 0.411 0.939  1.16-.28 .20 .00 1.2 .76 .05
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.120    250    250    250    250 99.2    54.429   0.40   10.15 0.485  0.147  0.3 0.000 0.856  1.13-.16 .35 .00 1.4 .73 .04
     2.342    245    173    245    173 99.6    41.768   0.29   10.13 0.506  0.133  0.2 0.000 0.987  1.50-.36 .37 .01 1.6 .75 .06
     4.804    251      0    251      0 98.8    43.285   0.31    9.98 0.000  0.000  0.0 0.000 0.000  0.00-.25 .42 .00 1.6 .86 .06
     7.266    255      0    255     16 99.2    41.013   0.30   10.07 0.578 -0.078  0.4 0.000 0.000  0.00 .03 .45-.00 1.8 .83 .06
     9.728    253      0    253     97 99.2    43.673   0.33    9.96 0.671 -0.465  0.4 0.000 0.000  0.00-.09 .43 .00 1.4 .76 .05
    12.190    247      6    247    175 98.4    45.105   0.32    9.92 0.598 -0.381  0.3 0.854 0.933  0.77-.19 .37-.00 1.8 .80 .07
    14.652    250     14    250    222 98.0    48.100   0.36    9.88 0.488 -0.228  0.3 0.640 1.453  1.60-.04 .45 .00 1.4 .79 .06
    17.114    250     37    250    229 98.4    73.700   0.53    9.83 0.466  0.082  0.3 0.661 0.954  1.02-.20 .40 .00 1.7 .82 .07
    19.576    243     68    243    139 96.3    85.223   0.62    9.82 0.543  0.022  0.3 0.642 1.120  1.23-.05 .39-.00 1.5 .70 .06
    22.038    247     25    247     32 94.3    90.699   0.65    9.84 0.748  0.005  0.2 0.692 1.176  1.15-.15 .34 .00 1.4 .62 .05
    24.500    257      0    257      0 91.8   123.480   0.86    9.80 0.000  0.000  0.0 0.000 0.000  0.00 .02 .35 .00 1.5 .67 .05
    26.962    238      0    238      0 92.9   112.352   0.81    9.86 0.000  0.000  0.0 0.000 0.000  0.00 .06 .24 .00 1.6 .64 .06
    29.424    259      0    259      0 90.3   135.898   0.93    9.83 0.000  0.000  0.0 0.000 0.000  0.00 .06 .06 .00 1.5 .50 .06
    31.886    236      0    236     10 93.6   106.601   0.79    9.93 0.282  0.009  0.3 0.000 0.000  0.00-.04-.04 .00 1.4 .51 .04
    34.348    264      0    264     89 96.2   114.064   0.76    9.99 0.322  0.101  0.3 0.000 0.000  0.00-.09-.15 .00 1.4 .53 .06
    36.810    240      0    240    152 92.9   106.809   0.77   10.10 0.333  0.162  0.3 0.000 0.000  0.00-.27-.35 .00 1.3 .64 .04
    39.272    241      0    241    209 98.3    66.773   0.47   10.01 0.469  0.050  0.3 0.000 0.000  0.00-.17-.37 .01 1.7 .75 .07
    41.734    261      0    261    240 99.2    61.587   0.47    9.97 0.544  0.077  0.3 0.000 0.000  0.00-.11-.44 .01 1.2 .75 .05
    44.196    255    179    255    239 99.6    54.275   0.39    9.69 0.561 -0.011  0.3 0.630 1.015  1.16-.23-.43 .01 1.5 .76 .07
    46.658    244    243    244    243100.0    28.914   0.22    9.62 0.612 -0.254  0.2 0.614 1.161  1.18-.21-.42 .00 1.5 .80 .06
    49.120
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    266     57    266    209 97.7    82.374   0.58    9.81 0.487  0.085  0.3 0.604 0.868  1.02-.22 .38-.00 1.7 .77 .06
    10.000    244     57    244     88 94.7    88.457   0.65    9.86 0.662  0.005  0.3 0.758 1.425  1.33-.10 .37 .00 1.4 .66 .05
    20.000    255      7    255      7 94.1   106.818   0.75    9.86 0.531  0.003  0.2 0.325 0.774  1.23-.10 .34 .00 1.5 .67 .06
    30.000    249      0    249      0 91.6   125.086   0.89    9.78 0.000  0.000  0.0 0.000 0.000  0.00 .07 .35 .00 1.5 .65 .05
    40.000    258      0    258      0 91.1   130.220   0.89    9.83 0.000  0.000  0.0 0.000 0.000  0.00-.02 .13 .01 1.6 .56 .07
    50.000    251      0    251      3 90.0   121.879   0.88    9.85 0.242  0.003  0.4 0.000 0.000  0.00 .02-.01-.00 1.4 .51 .04
    60.000    257      0    257     46 97.7    97.285   0.68    9.97 0.302  0.057  0.3 0.000 0.000  0.00 .05-.07 .00 1.5 .53 .06
    70.000    239      0    239    126 92.9   116.040   0.83   10.10 0.334  0.140  0.3 0.000 0.000  0.00-.21-.25 .00 1.2 .57 .04
    80.000    267      0    267    203 97.4    79.638   0.54   10.08 0.420  0.127  0.3 0.000 0.000  0.00-.25-.36 .01 1.5 .67 .06
    90.000    250      0    250    235 99.2    60.512   0.45   10.09 0.488  0.086  0.3 0.000 0.000  0.00-.13-.41 .01 1.5 .77 .06
   100.000    254     75    254    222 99.2    62.674   0.46    9.75 0.598  0.002  0.3 0.760 1.261  1.19-.20-.51 .01 1.4 .80 .06
   110.000    252    251    252    251100.0    36.998   0.28    9.64 0.584 -0.153  0.3 0.572 1.033  1.15-.20-.35 .01 1.4 .71 .06
   120.000     96     96     96     96100.0    29.573   0.23    9.41 0.561 -0.177  0.2 0.519 1.116  1.17-.22-.51 .00 1.6 .91 .05
   130.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   140.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   150.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   160.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   170.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   180.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   190.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   200.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   210.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   220.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   230.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   240.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   250.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   260.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   270.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   280.000     76     76     76     76100.0    69.383   0.48    9.96 0.509  0.187  0.3 0.000 0.887  1.20-.17 .50 .00 1.6 .82 .06
   290.000    250    250    250    250 99.2    49.069   0.35   10.22 0.485  0.158  0.3 0.000 0.888  1.14-.19 .29 .01 1.4 .68 .05
   300.000    262     97    262     97 99.2    38.156   0.28   10.13 0.498  0.043  0.2 0.000 0.989  1.17-.41 .36 .01 1.7 .79 .07
   310.000    247      0    247      0 98.4    47.079   0.34    9.97 0.000  0.000  0.0 0.000 0.000  0.00-.18 .47 .00 1.5 .87 .05
   320.000    264      0    264     50100.0    40.343   0.30   10.02 0.646 -0.281  0.4 0.000 0.000  0.00-.02 .48-.00 1.7 .82 .06
   330.000    254      0    254    126 98.8    41.761   0.31    9.91 0.623 -0.450  0.4 0.000 0.000  0.00-.06 .37-.00 1.5 .75 .06
   340.000    256     14    256    199 98.0    43.273   0.32    9.88 0.587 -0.346  0.3 0.624 1.081  1.23-.19 .40 .00 1.7 .81 .07
   350.000    239     15    239    231 97.9    57.636   0.43    9.91 0.449 -0.096  0.3 0.899 1.456  1.15 .09 .45 .00 1.5 .80 .06
   360.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
     Hours      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     6.160    296    296    296    296 99.3    53.161   0.38   10.17 0.501  0.164  0.3 0.000 0.899  1.16-.21 .34 .00 1.5 .72 .05
     6.210    237    127    237    127 99.2    41.219   0.31   10.07 0.470  0.080  0.2 0.000 0.930  1.42-.31 .40 .00 1.4 .76 .05
     6.261    245      0    245      0 99.2    43.876   0.30   10.00 0.000  0.000  0.0 0.000 0.000  0.00-.32 .44 .00 1.7 .88 .07
     6.311    257      0    257     24 99.2    39.806   0.31   10.04 0.546 -0.140  0.4 0.000 0.000  0.00 .09 .44-.00 1.7 .83 .05
     6.362    236      0    236    100 98.7    45.516   0.34    9.97 0.669 -0.468  0.4 0.000 0.000  0.00-.14 .42-.00 1.5 .77 .06
     6.412    247      7    247    180 98.4    46.190   0.33    9.93 0.587 -0.364  0.3 0.718 0.886  0.87-.14 .38 .00 1.7 .79 .07
     6.463    245     13    245    218 98.4    47.156   0.36    9.86 0.486 -0.207  0.3 0.727 1.565  1.52-.04 .45 .00 1.4 .79 .06
     6.513    243     41    243    222 98.4    73.345   0.52    9.82 0.484  0.091  0.3 0.704 0.911  0.92-.17 .40 .00 1.8 .82 .07
     6.564    245     65    245    136 95.9    87.227   0.63    9.85 0.525  0.024  0.3 0.618 1.147  1.31-.07 .39-.00 1.5 .70 .05
     6.614    242     24    242     30 94.6    90.195   0.64    9.83 0.727  0.001  0.2 0.664 1.243  1.27-.16 .34 .00 1.4 .62 .05
     6.665    249      0    249      0 92.0   120.817   0.84    9.78 0.000  0.000  0.0 0.000 0.000  0.00 .01 .35 .00 1.5 .68 .05
     6.715    237      0    237      0 92.4   115.654   0.83    9.91 0.000  0.000  0.0 0.000 0.000  0.00 .07 .25 .00 1.6 .64 .06
     6.766    247      0    247      0 90.7   134.849   0.91    9.81 0.000  0.000  0.0 0.000 0.000  0.00 .07 .06 .00 1.6 .50 .07
     6.816    243      0    243      8 93.0   111.642   0.83    9.90 0.257  0.011  0.3 0.000 0.000  0.00-.04-.03 .00 1.3 .52 .04
     6.867    254      0    254     79 96.5   111.110   0.75    9.99 0.313  0.083  0.3 0.000 0.000  0.00-.10-.14 .00 1.4 .53 .06
     6.918    235      0    235    144 92.8   109.188   0.77   10.11 0.343  0.171  0.3 0.000 0.000  0.00-.26-.32 .00 1.3 .62 .04
     6.968    241      0    241    206 97.9    70.399   0.51   10.11 0.444  0.084  0.3 0.000 0.000  0.00-.13-.37 .01 1.5 .69 .06
     7.019    242      0    242    227 99.2    66.788   0.48    9.87 0.535  0.061  0.3 0.000 0.000  0.00-.17-.40 .01 1.5 .77 .06
     7.069    251    129    251    225 99.6    51.816   0.39    9.69 0.573 -0.010  0.3 0.719 1.077  1.20-.12-.49 .01 1.3 .81 .05
     7.120    294    293    294    293100.0    31.968   0.24    9.68 0.597 -0.194  0.3 0.540 1.099  1.12-.27-.40 .01 1.6 .77 .06
     7.170
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     8.000   4986    423   3654   2515 96.8    73.918   0.53    9.92 0.490  0.000  0.3 0.646 1.083  1.16-.12 .12 .00 1.5 .72 .06
     9.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   2461    365   2050   1350 99.7     8.589   0.07    9.99 0.767 -1.429  0.3 0.826 1.606  1.17-.15 .14 .00 1.7 .81 .06
     0.100    775    149    744    421 98.3    89.289   0.63    9.92 0.414  0.053  0.3 0.487 0.846  1.27-.01 .15 .00 1.5 .76 .06
     0.200    723    111    694    362 95.7   130.490   0.90    9.94 0.338  0.096  0.3 0.518 0.721  1.13-.10 .14 .00 1.4 .63 .06
     0.300    614     76    602    244 89.7   174.187   1.15    9.79 0.345  0.109  0.3 0.477 0.642  0.86-.15 .05 .00 1.3 .52 .05
     0.400    305     28    304    104 89.8   182.070   1.20    9.80 0.367  0.072  0.3 0.486 0.721  1.15-.21 .05 .01 1.2 .44 .05
     0.500     94      5     94     29 87.2   206.667   1.32    9.38 0.364  0.080  0.4 0.868 0.729  0.69 .07 .02 .00 1.1 .35 .05
     0.600     14      2     14      5 92.9   140.283   0.93    9.51 0.532  0.157  0.4 0.225 1.115  2.35-.31 .01 .01 .93 .26 .03
     0.700      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    685    106    630    335 98.5    82.253   0.50    9.92 0.448  0.037  0.3 0.440 1.022  1.40-.01 .09 .00 2.0 .70 .10
     0.050    229     33    218    122 96.9    90.967   0.53    9.88 0.439 -0.007  0.3 0.663 1.647  1.08 .20 .16 .02 1.6 .66 .07
     0.100    160     22    155     80 96.2    74.781   0.47    9.77 0.611 -0.006  0.2 0.618 0.948  1.00 1.1 .20 .01 1.9 .80 .06
     0.150    116     13    113     45 98.3    62.099   0.37    9.98 0.709 -0.153  0.3 0.891 1.087  1.19 1.5 .20 .01 2.2 .68 .05
     0.200    243     24    226    120 95.5    79.522   0.61   10.02 0.430 -0.023  0.3 0.634 0.688  1.25 .28 .17 .00 1.5 .74 .02
     0.250    272     39    239    156 96.0    82.881   0.69    9.92 0.470 -0.009  0.3 0.353 0.944  1.60 .02 .08 .00 .79 .73 .00
     0.300    214     20    199    103 95.3    86.226   0.71    9.80 0.437  0.022  0.4 0.794 0.889  1.10-.12 .11 .00 .70 .71 .00
     0.350    230     31    209    110 95.2    81.289   0.69    9.70 0.534 -0.023  0.3 1.397 1.069  0.91-.05 .25 .00 .72 .75 .00
     0.400    236     27    213    112 95.8    65.659   0.56   10.13 0.488  0.010  0.3 0.952 1.056  0.94-.04 .14 .00 .77 .71 .00
     0.450    295     47    256    162 94.6    75.714   0.64    9.86 0.434  0.019  0.2 0.800 1.128  1.60-.12 .10 .00 .73 .69 .00
     0.500    270     35    237    143 95.9    71.793   0.59    9.97 0.491  0.008  0.3 0.654 1.081  1.35-.02 .08 .00 .71 .73 .00
     0.550    278     42    243    167 96.0    65.578   0.54    9.96 0.552  0.036  0.3 0.748 1.383  1.39-.05 .08 .00 .76 .69 .00
     0.600    250     32    226    129 97.6    58.145   0.50    9.83 0.520 -0.024  0.3 0.492 0.858  1.46-.08 .23 .00 .77 .77 .00
     0.650    227     16    214    102 96.5    78.066   0.64    9.98 0.433 -0.005  0.3 0.640 0.701  0.75-.07 .10 .00 .72 .70 .00
     0.700    267     31    244    134 97.8    64.349   0.53    9.98 0.519 -0.014  0.3 1.105 1.549  0.83-.12 .10 .00 .82 .74 .00
     0.750    182     11    173     87 97.3    80.623   0.60   10.06 0.471  0.056  0.3 0.818 0.977  1.20-.67 .09 .00 1.8 .79 .00
     0.800    111     24    104     62 98.2    59.889   0.35   10.09 0.532 -0.114  0.2 0.561 0.905  0.62-2.1-.01-.01 2.7 .71 .04
     0.850    119     16    116     52 98.3    39.985   0.26    9.87 0.613  0.020  0.2 1.046 1.791  1.15-1.3 .17-.02 2.5 .78 .09
     0.900    168     23    166     74 98.2    43.962   0.28    9.83 0.781 -0.149  0.3 0.987 1.254  0.56-1.0 .14-.00 2.2 .67 .10
     0.950    434     75    414    220 97.7    80.287   0.49    9.89 0.499  0.004  0.3 0.516 1.210  1.33-.50 .07 .02 2.2 .69 .11
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_09.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.980      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.961      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.922      0      0      0      0  0.0     0.000 /WIDE /ALPHA12 /TWINBOXRATIO=1.300 /VOLTARGET=1.000 &
 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 &
 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 /TWINSEPARATION=1.000 &
 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 /WTMETH=2 /SMAP=1 /DFRAME &
 /LSVD=5.00000E-05 /GSVD=1.00000E-06 /LMARQ=2.00000E-03 &
 /GMARQ=2.00000E-03 /ZW=1.0000 /CYCLIM=25 /LMIN=0 /GMIN=0 /NSIM=0 &
 /SEED=0 /MMIC=20.000 /SMIC=20.000 /MCVERB=1 /MCREFLIM=4096 /MEDMSK=-1 &
 /SHRMSK=-1
 
Multiple runs have been specified:
  (current run indicated with "*")
 FRAME                   MATRIX                 OUTPUT                  #FRAMES
 u_char419_01_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_01.raw       51
 u_char419_02_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
 u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
*u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
 u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
 u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
 u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
 u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is        9
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_10_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_10_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONFIGURE menu)
Faceplate transmittance  :    0.9101 (from CONFIGURE menu)
Phosphor absorption      :    0.9200 (from CONFIGURE menu)
Air absorption (per CM)  :    0.0106 (from CONFIGURE menu)
Active pixel threshold:        0.000 (from Advanced menu)
 
Frames were acquired with BIS 2011.8.1.0/09-Aug-2011:
   Rescan threshold is 95% of A/D conversion range
 
Starting swing angle will be obtained from frame header
Starting omega will be obtained from frame header
Starting phi will be obtained from frame header
Starting chi will be obtained from frame header
Number of exposures summed will be obtained from frame header
Scan axis will be obtained from frame header
Scan width will be obtained from frame header
Exposure time will be obtained from frame header
 
Initial background ================== 05/22/12 10:38:00
Initial background range (deg) =      79.99, interleave = 2
Number of BG pixels >= 64K:               0
 
Initial BG frame written to cu_char419_ib_10_0001.sfrm
 
Nominal time per frame (s):          74.4
Intensity normalization in deg/min:  3.22581
Output intensities are multiplied by this value
   to place on scale of 1 min/deg
 
Reading orientation and spatial calibration ========== 05/22/12 10:38:01
 
Reading spatial correction from /home/ithil/data/char419/work/49YatN.p4p
Single-detector spatial correction will be used
Orientation for 1 component(s) read from /home/ithil/data/char419/work/49YatN.p4p
Detector distance of    5.000 cm was obtained from frame header of first frame in run
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
... Input P4P data for sample 1 of 1:
... This sample is a single crystal with 3 indices (HKL)
 
... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file)
Orientation ("UB") matrix:
  -0.0678131  -0.0946044  -0.0043412
  -0.0727581   0.0232177   0.0008884
   0.0126395   0.0237286  -0.0181774
 
Unit Cell: A           B           C       Alpha        Beta       Gamma
     11.5170     11.5170     53.4481      90.000      90.000     120.000
 
Detector corrections:      X-Cen   Y-Cen    Dist   Pitch    Roll     Yaw
                          -0.227  -0.042  -0.020  -0.120  -0.050  -0.090
 
Goniometer zeros (deg):       0.0000      0.0000      0.0000      0.0000
Crystal translations (pixels):            0.0000      0.0000      0.0000
... End component 1.1(1)
... End sample 1 of 1
 
Mean, a1, a2 wavelength (Angstroms):     1.54184     1.54056     1.54439
Alpha1:alpha2 ratio:                     2.00000
Nominal detector distance (cm):            5.000
X,Y beam center @swing=0 (pixels):        249.13      256.77
 
Input sample map:    1
 
Input components will be treated as follows:
 
 Component   Lattice      PointGroup    Wanted    Indices  Subsystems
    1.1(1)      0=P   -3 (Hexagonal)         Y      3=HKL           1
 
Active pixel mask ================== 05/22/12 10:38:01
Median filter size:   input, used  -1,  2
Mask shrinkage (pix): input, used  -1,  3
Active pixel mask written to cu_char419_am_10_0001.sfrm
Fraction of mask marked active:   0.969
 
Spatially corrected beam center:   249.13  256.77
Scan axis is  3
Direction cosines of rotation axis:     0.000   0.817   0.577
Starting frame angles (degrees):      359.316   0.000 245.500  54.756
Vertical tilt of beam (degrees):       0.0000
Exposures per frame:                        2
Fraction of I to be combined with output sigmas:      0.000
Maximum number of frames to be processed:                56
Wide-frame algorithm will be used.
Individual BG offsets will be used.
Normal dying-average BG will be used.
Direct beam monitor will not be used.
Alpha1,2 splitting will be added to box sizes
Box volumes will be multiplied by exp(    0.00000 * [sin(theta)/lambda]**2)
Target volume factor is   1.000 at   1.000 angstroms
Lorentz cutoff for exclusion from output:           0.0200
Lorentz cutoff for exclusion from model profiles:   0.0750
LS will use individual reflection weights
 
Initial orientation and spot-shape refinement ============== 05/22/12 10:38:01
Input X,Y,Z spot spread (deg):     0.380   0.380   1.010
Scale for orientation update length:   1.000E+00
#Frames running average for orientation update:    6
Frames between full refinements of orientation:   10
#Frames in BG running avg (correlation length):   16
Nominal frame width in degrees:         4.000
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.809   1.809   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  99.03%                Port, connections:  2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   21  0.57 -0.33 -0.03  0.85  0.62  0.11 6822.8  32    0  0.37    9 0.38 0.38 1.01 1.000
    1_0002   29  0.30 -0.10 -0.01  0.64  0.57  0.05 7506.7  32    7  0.85   10 0.38 0.38 1.01 1.000
    2_0003   19  0.22 -0.15 -0.02  0.60  0.58  0.08 3504.5  19    5  0.86   11 0.38 0.38 1.01 1.000
    3_0004   31  0.43 -0.23  0.02  0.63  0.52  0.10 6084.1  26   10  0.95   11 0.38 0.38 1.01 1.000
    4_0005   32  0.12 -0.04 -0.01  0.35  0.42  0.11 9337.3  38    3  0.95   10 0.38 0.38 1.01 1.000
    5_0006   28  0.22 -0.06 -0.00  0.34  0.27  0.12 7699.2  34    0  0.94   11 0.38 0.38 1.01 1.000
    6_0007   41  0.24 -0.14  0.01  0.38  0.24  0.06 6805.0  27    2  0.96   10 0.38 0.38 1.01 1.000
    7_0008   30  0.22 -0.18  0.00  0.33  0.32  0.12 5566.2  28    0  0.95   10 0.38 0.38 1.01 1.000
    8_0009   24  0.03  0.02  0.01  0.18  0.18  0.05  11056  41    8  0.96    9 0.38 0.38 1.01 1.000
    9_0010   23  0.13  0.02 -0.03  0.43  0.54  0.13 6808.2  28    4  0.93   12 0.38 0.38 1.01 1.000
   10_0011   46  0.18 -0.12 -0.00  0.27  0.23  0.02 7106.2  24   11  0.90   10 0.38 0.38 1.01 1.000
   11_0012   20  0.13 -0.10 -0.01  0.16  0.20  0.08 7694.9  31    5  0.91   11 0.38 0.38 1.01 1.000
   12_0013   28  0.10 -0.03 -0.04  0.20  0.19  0.10 6066.5  29    7  0.92   10 0.38 0.38 1.01 1.000
   13_0014   23  0.09 -0.04  0.01  0.22  0.21  0.10 5167.6  25    9  0.91   12 0.38 0.38 1.01 1.000
   14_0015   36  0.09 -0.04  0.00  0.15  0.16  0.07 6597.7  25    3  0.94   10 0.38 0.38 1.01 1.000
   15_0016   32  0.13 -0.01 -0.01  0.24  0.20  0.07 7787.4  31    6  0.93   10 0.38 0.38 1.01 1.000
   16_0017   32  0.05 -0.01 -0.00  0.14  0.24  0.08 6977.3  28    6  0.95   10 0.38 0.38 1.01 1.000
   17_0018   29  0.02 -0.00  0.01  0.12  0.10  0.08 8935.8  42   10  0.96    9 0.38 0.38 1.01 1.000
   18_0019   33  0.06 -0.01  0.01  0.15  0.13  0.06 9552.0  44    6  0.95   11 0.38 0.38 1.01 1.000
   19_0020   28  0.00 -0.05 -0.00  0.09  0.09  0.04 8083.6  31    4  0.97   10 0.38 0.38 1.01 1.000
 
I/Sigma = 577.92   Thresh = 0.050   Blend = F   #Contributing = 45   InitialProfileWt = 0.405
Region 1
Sum = 93379.6;   Maximum = 4370.34;   FM = 0.571
!Region 1: Section 1->3
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!Region 1: Section 4->6
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!Region 1: Section 7->9
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I/Sigma = 328.01   Thresh = 0.050   Blend = F   #Contributing = 37   InitialProfileWt = 0.356
Region 2
Sum = 21049.6;   Maximum = 1022.96;   FM = 0.567
!Region 2: Section 1->3
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I/Sigma = 343.64   Thresh = 0.050   Blend = F   #Contributing = 95   InitialProfileWt = 0.313
Region 3
Sum = 12564.6;   Maximum = 590.303;   FM = 0.565
!Region 3: Section 1->3
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 345.29   Thresh = 0.050   Blend = F   #Contributing = 95   InitialProfileWt = 0.334
Region 3
Sum = 14784.8;   Maximum = 1172.93;   FM = 0.618
!Region 3: Section 1->3
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  1  2  2  2  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  1  4  8 11  9  4  1  0    0  0  0  0  0  0  0  0  0
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!Region 3: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 331.84   Thresh = 0.050   Blend = F   #Contributing = 63   InitialProfileWt = 0.313
Region 4
Sum = 23702.5;   Maximum = 1843.34;   FM = 0.617
!Region 4: Section 1->3
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!Region 4: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  1  2  2  2  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  1  4  9 11  9  4  2  0    0  0  0  0  0  0  0  0  0
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!Region 4: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 253.53   Thresh = 0.050   Blend = F   #Contributing = 18   InitialProfileWt = 0.461
Region 5
Sum = 22840.9;   Maximum = 1791.55;   FM = 0.617
!Region 5: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 5: Section 4->6
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!Region 5: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 345.34   Thresh = 0.050   Blend = F   #Contributing = 30   InitialProfileWt = 0.334
Region 6
Sum = 37763;   Maximum = 3001.06;   FM = 0.618
!Region 6: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 6: Section 4->6
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!Region 6: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 404.33   Thresh = 0.050   Blend = F   #Contributing = 91   InitialProfileWt = 0.275
Region 7
Sum = 20218;   Maximum = 1672.78;   FM = 0.619
!Region 7: Section 1->3
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!Region 7: Section 4->6
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!Region 7: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 302.50   Thresh = 0.050   Blend = F   #Contributing = 46   InitialProfileWt = 0.432
Region 8
Sum = 13984.7;   Maximum = 1117.12;   FM = 0.618
!Region 8: Section 1->3
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!Region 8: Section 4->6
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!Region 8: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 310.05   Thresh = 0.050   Blend = F   #Contributing = 19   InitialProfileWt = 0.405
Region 9
Sum = 35306.9;   Maximum = 2795Siz ZSiz  Beam
   10_0011   45  0.00 -0.02  0.01  0.23  0.16  0.05 4017.8  24   11  0.96    7 0.51 0.48 0.61 1.000
   11_0012   23 -0.02 -0.06 -0.01  0.08  0.16  0.04 4493.7  33    4  0.98   10 0.51 0.48 0.61 1.000
   12_0013   24  0.01  0.04 -0.02  0.13  0.14  0.07 3837.8  31    4  0.99    8 0.51 0.48 0.60 1.000
   13_0014   22  0.07  0.04  0.01  0.51  0.30  0.02 3034.9  24    9  0.95    9 0.51 0.48 0.60 1.000
   14_0015   37 -0.06  0.02 -0.00  0.15  0.20  0.04 3628.7  25    5  0.97    9 0.51 0.48 0.60 1.000
   15_0016   31  0.01 -0.06  0.00  0.18  0.22  0.05 4839.5  31    6  0.97    9 0.51 0.48 0.60 1.000
   16_0017   30 -0.02  0.02 -0.00  0.18  0.14  0.02 4329.4  29    3  0.99    9 0.51 0.48 0.60 1.000
   17_0018   25 -0.07  0.03  0.01  0.24  0.17  0.05 6126.2  47   12  0.98    8 0.51 0.48 0.60 1.000
   18_0019   36 -0.02  0.00  0.00  0.11  0.10  0.05 5383.1  42    6  0.98   10 0.51 0.48 0.60 1.000
   19_0020   28 -0.02 -0.01 -0.00  0.15  0.04  0.02 4884.8  31    0  0.99    8 0.51 0.48 0.59 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (443 input reflections)...
 
Relative SVD-filter threshold:     0.0000500
Starting gradient-expansion term:  0.0020000
Weighting multipier for Z terms:   1.0000000
Minimum elements to filter:                0
Maximum number of LS cycles:              25
Vertical tilt of beam (deg):          0.0000
Individual reflection weights will be used in the refinement
 
Wavelength, relative uncertainty:  1.5418400,  0.0000058
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
 
Reflection Summary:
 Component     Input  RLV.Excl      Used  WorstRes   BestRes   Min.2Th   Max.2Th
    1.1(1)       443         0       443    9.8024    2.2593     9.022    39.903
 
Orientation ('UB') matrix:
  -0.0679319  -0.0947179  -0.0042599
  -0.0726832   0.0233782   0.0008173
   0.0126381   0.0232229  -0.0181972
 
         A         B         C     Alpha      Beta     Gamma           Vol
   11.5141   11.5141   53.4559    90.000    90.000   120.000       6137.38
    0.0023    0.0000    0.0095     0.000     0.000     0.000          3.51
Corrected for goodness of fit:
    0.0017    0.0000    0.0069     0.000     0.000     0.000          2.53
 
Crystal system constraint:            7  (Hexagonal)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):           79.139     166.593     147.078
Goniometer zeros (deg):          0.0000*    -0.0359      0.0000*    -0.0693    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                       0.1136  -0.1580  -0.0209  -0.0967   0.0144  -0.0969
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         5.46471e+02   4.80990e+02    0.72       4         1       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 443             443              51
 Average input ESD (pix, pix, deg):          0.09936         0.09789         0.17195
 Goodness of fit:                            0.52185         0.49494         2.22212
 
BG snapshot written to /home/ithil/data/char419/work/bg_snap_10_0002.sfrm
 
I/Sigma = 765.19   Thresh = 0.050   Blend = F   #Contributing = 91   InitialProfileWt = 0.187
Region 1
Sum = 136114;   Maximum = 10154.9;   FM = 0.616
!Region 1: Section 1->3
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!Region 1: Section 4->6
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!Region 1: Section 7->9
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I/Sigma = 425.80   Thresh = 0.050   Blend = F   #Contributing = 79   InitialProfileWt = 0.127
Region 2
Sum = 31174.4;   Maximum = 2505.81;   FM = 0.618
!Region 2: Section 1->3
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!Region 2: Section 4->6
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!Region 2: Section 7->9
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I/Sigma = 436.78   Thresh = 0.050   Blend = F   #Contributing = 190   InitialProfileWt = 0.111
Region 3
Sum = 18391.6;   Maximum = 1468.1;   FM = 0.618
!Region 3: Section 1->3
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!Region 3: Section 4->6
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!Region 3: Section 7->9
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I/Sigma = 411.92   Thresh = 0.050   Blend = F   #Contributing = 125   InitialProfileWt = 0.098
Region 4
Sum = 31133.4;   Maximum = 2433.96;   FM = 0.618
!Region 4: Section 1->3
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!Region 4: Section 4->6
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!Region 4: Section 7->9
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I/Sigma = 328.11   Thresh = 0.050   Blend = F   #Contributing = 35   InitialProfileWt = 0.212
Region 5
Sum = 32629.2;   Maximum = 2571.6;   FM = 0.617
!Region 5: Section 1->3
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!Region 5: Section 7->9
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I/Sigma = 436.09   Thresh = 0.050   Blend = F   #Contributing = 60   InitialProfileWt = 0.111
Region 6
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I/Sigma = 410.06   Thresh = 0.050   Blend = F   #Contributing = 44   InitialProfileWt = 0.119
Region 9
Sum = 44242.7;   Maximum = 3562.58;   FM = 0.617
!Region 9: Section 1->3
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Background pixels updated =  98.64%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   30_0031   30  0.01 -0.04  0.00  0.20  0.15  0.01 3925.4  29    7  0.98    9 0.51 0.48 0.57 1.000
   31_0032   36 -0.08  0.04  0.00  0.20  0.17  0.03 4787.0  35   11  0.96    9 0.51 0.48 0.57 1.000
   32_0033   30 -0.05 -0.02  0.01  0.19  0.13  0.04 4469.5  36    0  0.98    9 0.51 0.48 0.57 1.000
   33_0034   33 -0.03 -0.04  0.01  0.25  0.31  0.09 5183.3  40   12  0.94   10 0.51 0.48 0.56 1.000
   34_0035   33 -0.03  0.01  0.00  0.07  0.10  0.06 4591.8  30    0  0.99    9 0.51 0.48 0.56 1.000
   35_0036   25 -0.02  0.04 -0.00  0.09  0.10  0.01 3326.2  23    0  0.99    8 0.51 0.48 0.56 1.000
   36_0037   34  0.03  0.03  0.02  0.17  0.12  0.07 5586.9  33    0  0.98    9 0.51 0.48 0.56 1.000
   37_0038   24 -0.00  0.01 -0.00  0.08  0.11  0.07 3337.0  31    4  0.98    9 0.51 0.48 0.56 1.000
   38_0039   23  0.02  0.09  0.01  0.29  0.21  0.09 4084.6  31    9  0.96    8 0.51 0.48 0.56 1.000
   39_0040   34 -0.11  0.07 -0.00  0.32  0.19  0.03 4249.0  25    6  0.94    9 0.51 0.48 0.56 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (512 input reflections)...
 
Relative SVD-filter threshold:     0.0000500
Starting gradient-expansion term:  0.0020000
Weighting multipier for Z terms:   1.0000000
Minimum elements to filter:                0
Maximum number of LS cycles:              25
Vertical tilt of beam (deg):          0.0000
Individual reflection weights will be used in the refinement
 
Wavelength, relative uncertainty:  1.5418400,  0.0000058
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
 
Reflection Summary:
 Component     Input  RLV.Excl      Used  WorstRes   BestRes   Min.2Th   Max.2Th
    1.1(1)       512         0       512    9.8010    2.2545     9.023    39.991
 
Orientation ('UB') matrix:
  -0.0678459  -0.0947046  -0.0042989
  -0.0727530   0.0233014   0.0008055
   0.0128142   0.0234167  -0.0181878
 
         A         B         C     Alpha      Beta     Gamma           Vol
   11.5124   11.5124   53.4580    90.000    90.000   120.000       6135.82
    0.0021    0.0000    0.0091     0.000     0.000     0.000          3.30
Corrected for goodness of fit:
    0.0023    0.0000    0.0100     0.000     0.000     0.000          3.61
 
Crystal system constraint:            7  (Hexagonal)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):           79.387     166.478     146.879
Goniometer zeros (deg):          0.0000*    -0.1494      0.0000*    -0.0376    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                       0.0426  -0.1617  -0.0223  -0.0949   0.0780  -0.0932
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.60515e+03   1.27446e+03    1.09       6         1       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 512             512              54
 Average input ESD (pix, pix, deg):          0.10074         0.09946         0.21019
 Goodness of fit:                            0.78395         0.81599         3.38540
 
BG snapshot written to /home/ithil/data/char419/work/bg_snap_10_0004.sfrm
 
I/Sigma = 832.07   Thresh = 0.050   Blend = F   #Contributing = 122   InitialProfileWt = 0.066
Region 1
Sum = 134902;   Maximum = 10161.3;   FM = 0.616
!Region 1: Section 1->3
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!Region 1: Section 4->6
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!Region 1: Section 7->9
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I/Sigma = 496.79   Thresh = 0.050   Blend = F   #Contributing = 111   InitialProfileWt = 0.058
Region 2
Sum = 38835.5;   Maximum = 3121.96;   FM = 0.618
!Region 2: Section 1->3
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I/Sigma = 523.31   Thresh = 0.050   Blend = F   #Contributing = 285   InitialProfileWt = 0.040
Region 3
Sum = 21457.1;   Maximum = 1720.45;   FM = 0.618
!Region 3: Section 1->3
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I/Sigma = 448.97   Thresh = 0.050   Blend = F   #Contributing = 182   InitialProfileWt = 0.029
Region 4
Sum = 34543.6;   Maximum = 2689.23;   FM = 0.617
!Region 4: Section 1->3
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Tu|(=353"71+: 1%Ma}imdm0= 10284.7;   FM = 0.616
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I/Sigma = 217.89 
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I/Sig}a1- "(%>'%4!0Dheas{ = 7.040 0 R|e~t -0F00 3Contributing
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Ruf|ucdyo~ Summary:
 ComponeDt00 00I~`ut00R\F.Uhc|0 00 0Eset0 GrcNRes   BestRes   Min."Tx0 0]ah.2Th
    1.1(1)   
 005!" 00  00 0  00 00 %!200  )>8  70  2.2544     9.023  0 #).))3 
Orientation ('UB)0}adbih*
 0=0> 6'(5&(7*
Collisions(same XY, adjacent frame):        0*
Spots exceeding frame queue size:           0*
Spots with too many spot components:        0*
Spots left in Write-Behind Cache:           0*
Close to inactive area (marked,
  but not excluded from output):           21
Good spots written:                      1623
Twin overlaps integrated:                   0
Partial, strong, full overlaps:             0       0       0
Full overlaps collapsed to singlet:         0
Singlets (used in stats below):          1623
Twin overlaps written:                      0
Total spot components written:           1623
 
Average Intensity:                     4299.9
Average I/sigma:                       36.784
% over "strong" threshold:              78.43
% less than 2 sigma:                     4.87
% which spanned more than 1 frame:      10.91
 
Average X,Y,Z positional errors:        -0.01    0.02    0.00
RMS X,Y,Z positional errors:             0.20    0.18    0.05
% X,Y,Z more than 0.5 pixel:             2.71    2.53    0.00
% X,Y,Z more than 1 pixel:               0.49    0.43    0.00
 
Avg % profile volume populated:        100.00
Avg % profile volume integrated:         5.98
X fraction of prof. volume used:       100.00
Y fraction of prof. volume used:       100.00
Z fraction of prof. volume used:        55.56
 
Max profile % on X boundaries:           2.48
Max profile % on Y boundaries:           2.97
Max profile % on Z boundaries:           0.00
 
Average spot shape correlation:         0.961
RMS spot shape correlation:             0.972
 
Profile Shape Correlation
I/sigma from     to    Correl       +/-       #
        0.00   1.00      0.39     0.341      42
        1.00   2.00      0.81     0.156      37
        2.00   4.00      0.92     0.073      70
        4.00   8.00      0.97     0.064     123
        8.00  16.00      0.99     0.015     283
       16.00  32.00      0.99     0.016     499
       32.00  64.00      0.99     0.017     403
       64.00 128.00      0.99     0.022     152
      128.00 256.00      0.99     0.003      14
 
Write-behind Cache Diagnostics
Entered in Write-Behind Cache:              0
Removed from WBC:                           0
Partial overlaps from WBC:                  0
Exceeding queue size from WBC:              0
With > 12 components from WBC:              0
 
Total integration time (sec):          4.292
Total time in cell LS (sec):           0.694
Per-frame integration time (sec):      0.053
 
Integration completed normally ======================== 05/22/12 10:38:10
 
Applying profile correlation filter from /home/ithil/data/char419/work/unsorted.raw to /home/ithil/data/char419/work/corrfilt.raw
Scale of    0.982 will be applied to LS-fit intensities
 
Number of reflections read:                   1623
Number of LS-fit intensities scaled:           303
Number rejected due to poor spot shape:         20
Number unwritable (I, sigma too large):          0
Number written:                               1603
 
Sorting Reflection File ============================== 05/22/12 10:38:10
 
Integration of char419
 
Sorting input files:
              1 /home/ithil/data/char419/work/corrfilt.raw
 
Sorting to output file /home/ithil/data/char419/work/cu_char419_10.raw
 
Component 1 in sample 1 (1 in file):
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
Beginning sort with 128MB memory requested...
      1603 reflections read from file   1--/home/ithil/data/char419/work/corrfilt.raw
      1603 reflections written to /home/ithil/data/char419/work/cu_char419_10.raw
 
Computing Reflection File Statistics ========== 05/22/12 10:38:10
Integration of char419
 
...................................................................................
Statistics for reflections in cu_char419_10.raw
File is in BrukerAXS area detector ASCII format
 
Number of lines read (incl comments) =             1603
Number of reflection records read =                1603
Number of records with bad component number =         0
Number of records with bad status value =             0
Number of spots used =                             1603
Number of spot components used =                   1603
 
...................................................................................
Integration of char419
Statistics for sample 1 of 1 in cu_char419_10.raw
 
Lattice:  P (Primitive)
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents.
Components in the sample map (* marks current component)
   Component   Wanted        A        B        C    Alpha     Beta    Gamma   PointGp         Constraints
     1.1(1)*        Y   11.512   11.512   53.461   90.000   90.000  120.000     -3(H)           Hexagonal
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
     Det X      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     65     58     58     65  6.2  2531.896  22.84   14.13 0.103 -0.054  7.6 0.079 0.135  2.85 .06 .04-.01 .32 .25 .05
    32.000    105     85     87    103  8.6  2257.804  21.66   15.56 0.097  0.007  3.9 0.044 0.176  3.83-.04 .01-.01 .29 .24 .07
    64.000    104     83     84    103  8.7  3719.166  30.03   17.69 0.107 -0.017 15.2 0.056 0.142  3.02-.02-.01-.00 .19 .20 .02
    96.000    108     90     90    108  6.5  5310.941  40.52   21.04 0.117 -0.017 28.1 0.071 0.154  2.04-.03-.01 .01 .30 .18 .05
   128.000    101     89     89    101  5.9  5063.710  40.05   23.08 0.162 -0.081134.2 0.115 0.161  2.14-.01-.01-.00 .19 .27 .04
   160.000    102     90     90    102  2.0  5003.551  42.68   27.41 0.079  0.030  3.1 0.061 0.135  1.73-.04-.00 .00 .14 .09 .03
   192.000    110     89     89    110  2.7  5259.822  48.21   28.54 0.064  0.013  2.7 0.053 0.128  1.73-.01 .01-.00 .13 .14 .03
   224.000    100     65     65    100  4.0  5107.111  47.11   28.72 0.080  0.029  3.2 0.049 0.145  1.91-.02 .02 .00 .14 .13 .01
   256.000    103     89     89    103  1.0  5297.441  47.02   28.46 0.065  0.030  2.7 0.019 0.137  1.87-.00 .04-.00 .11 .12 .03
   288.000    111     91     93    111  1.8  5527.500  46.62   28.39 0.063  0.014  2.6 0.020 0.125  2.25-.02 .02-.00 .14 .13 .03
   320.000    104     82     87    104  6.7  6128.594  48.25   26.58 0.064  0.010  2.8 0.020 0.140  2.63 .01 .04 .00 .18 .15 .05
   352.000    115     82     90    113  4.3  5201.656  40.04   22.53 0.068 -0.015  2.7 0.024 0.141  2.46-.00 .03-.00 .15 .15 .05
   384.000    108     87     91    107  7.4  3584.307  31.28   19.73 0.069 -0.004  2.0 0.017 0.142  2.70-.01 .02-.00 .21 .20 .06
   416.000    105     87     89    105  5.7  2461.816  22.07   16.80 0.077 -0.006  1.6 0.021 0.153  4.14-.03 .05-.00 .20 .16 .06
   448.000     99     73     87     88  1.0  2608.281  22.99   14.39 0.070  0.028  1.7 0.023 0.137  2.85-.01 .06-.00 .13 .16 .04
   480.000     63     28     57     38  7.9  2538.688  22.42   12.67 0.052  0.013  1.4 0.024 0.144  3.90-.02 .05-.00 .19 .21 .02
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
     Det Y      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     96     71     77     92  4.2  2546.327  22.27   13.78 0.053 -0.009  1.1 0.028 0.129  3.38-.03 .12 .01 .23 .21 .07
    32.000    120     93     94    120  3.3  2457.909  21.18   15.90 0.090 -0.008  1.8 0.026 0.176  3.57-.02 .02-.00 .17 .13 .02
    64.000    117     89     89    117  6.8  3819.073  29.74   19.28 0.076  0.014  2.1 0.020 0.151  4.21-.00 .03-.01 .17 .16 .04
    96.000    105     78     78    105  1.0  6002.437  42.00   23.38 0.068  0.017  2.7 0.019 0.120  2.74-.00 .02 .00 .16 .12 .03
   128.000    100     71     76    100  7.0  5723.125  44.92   27.52 0.070  0.023  2.9 0.024 0.137  2.10-.02 .00 .00 .17 .15 .05
   160.000     82     65     71     82  6.1  5916.042  52.34   29.67 0.060  0.028  2.6 0.022 0.136  2.54 .01 .02-.00 .21 .14 .07
   192.000     94     70     75     94  6.4  5262.171  56.41   30.23 0.054  0.004  2.5 0.025 0.106  2.13-.00 .02-.01 .14 .14 .06
   224.000     70     66     66     70  7.1  5204.039  57.74   26.00 0.123 -0.008 47.4 0.088 0.147  1.11 .02-.04-.00 .23 .26 .04
   256.000     65     56     56     65 16.9  4074.084  48.25   23.70 0.289 -0.193212.4 0.208 0.219  1.09-.02 .09-.01 .47 .41 .02
   288.000     89     71     72     89  2.2  5398.892  55.46   28.07 0.079 -0.015 14.1 0.050 0.112  1.70 .01 .05-.00 .14 .17 .04
   320.000     85     75     76     84  2.4  5209.388  47.42   28.39 0.070  0.012  3.2 0.060 0.145  1.97-.03 .01-.01 .16 .11 .07
   352.000    103     79     84     98  1.9  4866.953  39.35   25.59 0.088  0.030  3.5 0.066 0.148  1.98-.01 .03-.00 .11 .11 .04
   384.000    115     86     93    111  2.6  5452.548  39.18   22.78 0.068  0.000  2.6 0.034 0.129  2.79-.02-.00 .00 .13 .16 .04
   416.000    138    100    111    127  6.5  3690.893  29.31   18.58 0.081 -0.011  3.1 0.031 0.152  4.21-.03 .01 .00 .18 .17 .03
   448.000    131    100    110    123  2.3  2533.608  21.44   15.62 0.091  0.015  2.7 0.039 0.171  3.74-.03-.00 .00 .18 .16 .02
   480.000     93     73     82     84  7.5  2592.190  21.88   13.48 0.074  0.001  1.7 0.033 0.121  3.45-.04-.02 .00 .23 .20 .03
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
     Det R      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    30.000     11      7      7     11  0.0  3992.482  82.63   46.25 0.062 -0.047  2.0 0.015 0.095  4.39-.05 .03-.03 .13 .10 .08
    60.000     80     16     17     80  2.5 10271.296  97.25   44.09 0.045  0.019  3.5 0.019 0.089  1.21 .00 .03-.00 .07 .11 .04
    90.000     78     23     25     78  7.7  7479.352  67.75   37.14 0.116 -0.007129.1 0.101 0.160  1.04 .03-.03 .00 .22 .27 .05
   120.000    194     42     44    194  3.1  6515.967  53.59   32.72 0.095 -0.004 27.5 0.064 0.146  1.34-.01 .02-.00 .14 .14 .03
   150.000    175     48     50    175  6.9  5456.558  45.01   25.17 0.091 -0.006 18.4 0.052 0.133  2.44-.01 .02 .01 .21 .18 .06
   180.000    329     77     78    329  5.5  4145.029  33.58   20.91 0.087  0.003  2.7 0.021 0.172  4.53-.02 .02-.01 .20 .17 .04
   210.000    276     72     73    276  2.9  2157.811  21.71   16.91 0.104  0.001  4.1 0.054 0.206  3.23-.05 .02-.00 .18 .17 .05
   240.000    276     80     92    266  5.8  2961.335  23.92   14.11 0.064 -0.005  2.2 0.029 0.128  3.50 .01 .03-.00 .23 .19 .03
   270.000    184     60     96    152  6.0  2646.782  20.71   12.13 0.063  0.003  1.3 0.021 0.124  4.76-.03 .03 .01 .22 .20 .05
   300.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
   Quadrnt      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    222    128    131    219  7.7  3829.600  46.36   21.64 0.173 -0.043 71.3 0.180 0.154  1.54-.04-.01-.00 .30 .26 .07
     2.000    597    223    261    562  3.7  4269.016  32.77   21.38 0.068 -0.000  2.1 0.021 0.140  2.40-.01 .03-.00 .16 .15 .01
     3.000    573    203    203    573  4.7  4577.547  35.24   22.68 0.077  0.003  7.6 0.033 0.142  2.66-.01 .01-.00 .18 .16 .01
     4.000    211     93    108    207  6.2  4312.341  51.71   22.70 0.060  0.032  2.6 0.019 0.141  1.23-.00 .07-.00 .19 .17 .09
     5.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
    Region      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000     96     17     18     96  2.1  9486.287  95.40   44.23 0.047  0.018  3.3 0.024 0.089  1.21-.01 .03-.01 .08 .11 .05
     2.000    136     96    100    134  3.7  3544.568  37.40   21.41 0.070  0.034  2.4 0.021 0.150  1.49 .00 .05-.00 .15 .15 .04
     3.000    365    169    205    332  3.8  3928.734  28.54   18.81 0.069 -0.013  1.9 0.020 0.137  4.93-.01 .03-.00 .17 .17 .01
     4.000    202    148    148    202  3.5  4160.602  34.44   22.90 0.080  0.020  2.5 0.042 0.145  2.51-.03-.01-.00 .13 .15 .01
     5.000     74     61     64     71  4.1  3827.926  53.67   20.10 0.128  0.059  8.1 0.168 0.173  0.99-.06-.07 .02 .24 .15 .09
     6.000    135    102    102    135 13.3  3426.660  39.95   20.59 0.269 -0.168133.9 0.218 0.189  1.53 .00 .01-.01 .37 .35 .06
     7.000    350    150    150    350  4.6  4538.464  31.68   20.28 0.068  0.008  2.0 0.022 0.134  5.10-.01 .02-.00 .18 .15 .01
     8.000    179    128    128    179  2.2  3787.907  34.47   22.88 0.083  0.027  2.6 0.021 0.160  1.93-.00 .06 .00 .15 .13 .01
     9.000     66     32     46     62 15.2  3819.311  57.64   18.88 0.042 -0.002  2.1 0.023 0.142  1.83-.05 .05 .00 .29 .20 .14
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.170     73     68     71     70  4.1  4322.505  37.35   22.25 0.073  0.037  2.6 0.047 0.132  2.27 .05 .00-.01 .15 .18 .04
     2.595     84     78     84     80  3.6  4901.494  40.41   23.51 0.073  0.022  2.8 0.031 0.155  2.12-.00-.00-.01 .14 .10 .04
     5.361     89     83     89     84  2.2  4073.801  34.98   22.78 0.074  0.038  2.7 0.035 0.113  2.38-.03-.00 .00 .13 .08 .03
     8.126     81     71     76     78  8.6  4381.389  35.04   18.31 0.117 -0.036 35.5 0.073 0.142  2.61 .01-.01-.00 .28 .17 .05
    10.892     71     66     71     69  7.0  3848.274  34.50   22.70 0.079  0.020  3.5 0.060 0.151  1.91 .02 .01-.01 .31 .21 .05
    13.657     86     80     84     83  4.7  4373.177  38.18   21.51 0.066 -0.027  6.9 0.032 0.130  3.24-.03-.01-.00 .14 .20 .03
    16.423     83     74     78     81  6.0  5369.100  46.24   26.07 0.073  0.007  3.1 0.017 0.145  1.42-.04 .01 .00 .18 .12 .04
    19.188     84     77     82     80  3.6  3585.616  30.25   19.47 0.083 -0.014  5.0 0.037 0.132  3.57-.06-.01-.00 .18 .12 .03
    21.954     75     71     73     73  8.0  3979.953  34.15   20.63 0.132 -0.057 50.7 0.083 0.169  2.44-.03 .02-.01 .14 .22 .04
    24.719     64     61     63     64  4.7  4264.467  36.80   22.47 0.132 -0.056 27.6 0.081 0.172  2.21-.01-.00 .01 .22 .22 .06
    27.485     77     73     76     74  2.6  3380.948  28.80   20.33 0.082 -0.030  3.6 0.037 0.141  3.69-.01 .00 .00 .22 .21 .04
    30.250     93     83     88     91  7.5  5106.352  46.23   24.88 0.078  0.011  4.0 0.035 0.143  1.44-.04 .02 .00 .20 .18 .05
    33.016     80     76     79     80  2.5  4048.502  34.86   22.26 0.061  0.001  2.0 0.023 0.119  3.82-.04-.01 .00 .15 .18 .05
    35.781     70     66     70     68  2.9  4380.459  37.87   22.18 0.070  0.027  2.6 0.042 0.177  2.31-.02 .04 .01 .09 .15 .06
    38.547     84     75     80     83  8.3  3972.836  32.42   19.86 0.109 -0.028 14.2 0.064 0.144  2.79-.06 .07 .00 .25 .19 .05
    41.312     88     83     88     85  3.4  4080.419  34.72   21.22 0.064  0.009  2.5 0.037 0.116  2.52-.03 .08-.00 .27 .15 .03
    44.078     77     75     77     75  7.8  4586.141  40.11   24.61 0.115 -0.029111.6 0.068 0.151  1.82 .02 .05-.01 .17 .29 .05
    46.843     74     71     71     74  2.7  4278.494  37.24   22.17 0.073  0.022  2.5 0.038 0.148  3.03-.01 .06-.01 .13 .15 .05
    49.609     90     89     90     89  3.3  4211.125  35.15   21.55 0.078  0.026  3.0 0.044 0.136  2.09-.01 .08-.00 .20 .21 .01
    52.374     80     79     79     80  5.0  5150.491  41.00   22.24 0.065  0.026  2.4 0.028 0.120  2.07 .07 .00-.00 .20 .15 .03
    55.140
 
Integration of char419
 ...1.1(1):    361  0.0  4549.846  31.91   20.43 0.069 -0.002  2.4 0.024 0.156  3.85-.02 .02-.00 .10 .10 .03
    40.448    259     56     59    256  0.0  8324.623  52.09   26.32 0.071  0.016  3.8 0.023 0.141  3.40-.01 .01-.01 .09 .09 .06
    68.620    113     24     24    113  0.0 12386.751  84.21   35.41 0.060  0.036  5.3 0.050 0.105  0.80-.00 .02 .00 .07 .06 .06
   116.415     28      7      8     28  0.0 25724.107 140.38   43.38 0.042  0.016  7.5 0.037 0.095  0.81-.00 .02-.01 .03 .04 .06
   197.499
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
      Rsym      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    371    131    135    371  0.8  6141.775  44.27   22.18 0.015  0.001  0.6 0.020 0.068  1.66-.02 .02 .00 .13 .11 .05
     0.030    257    126    128    257  0.4  5696.911  43.85   24.14 0.043  0.005  1.7 0.020 0.086  2.55-.02 .02-.00 .11 .10 .04
     0.060    216    113    115    216  0.9  5127.420  39.87   23.17 0.073  0.010  2.5 0.028 0.141  2.57-.01 .03-.00 .11 .14 .05
     0.090    167    104    104    167  1.2  4343.939  35.09   23.45 0.104  0.030  3.2 0.039 0.195  2.70-.01 .00-.00 .12 .11 .03
     0.120    142     88     88    142  2.1  3552.195  32.18   22.87 0.134  0.045  3.9 0.055 0.252  2.35-.01 .02 .00 .14 .11 .04
     0.150     99     66     66     99  1.0  3366.859  31.02   22.99 0.162  0.071  4.4 0.035 0.295  2.09 .01 .02-.00 .16 .13 .04
     0.180     60     44     45     60  3.3  2994.234  28.68   22.17 0.194 -0.013  4.9 0.054 0.320  2.21-.03-.01-.01 .16 .20 .04
     0.210     42     33     35     42  4.8  2361.947  25.18   20.98 0.224  0.109  4.5 0.147 0.288  1.42-.02 .04-.00 .18 .18 .02
     0.240     40     31     31     40  0.0  1957.738  24.37   20.09 0.257  0.099  5.0 0.200 0.292  1.43-.01 .05-.00 .16 .23 .03
     0.270     22     20     20     22  9.1   909.482  11.21   17.72 0.284 -0.201  2.9 0.036 0.524  9.68-.05 .04 .00 .27 .19 .01
     0.300     22     18     19     22 13.6   965.218  11.63   19.19 0.315  0.005  3.3 0.090 0.518  6.34 .01 .01-.00 .17 .17 .03
     0.330     15     14     14     15 26.7   700.337   8.97   18.29 0.337 -0.203  2.5 0.057 0.563  9.40-.01-.08-.00 .25 .19 .02
     0.360     16     13     14     16  6.2   570.264   8.38   20.74 0.374 -0.115  2.7 0.058 0.622  9.73-.05 .07 .01 .15 .20 .03
     0.390      8      7      8      8 37.5   210.261   3.46   18.18 0.407  0.067  1.5 0.110 0.589  3.84 .02 .16-.00 .61 .37 .00
     0.420      9      9      9      9 33.3   818.081  11.27   17.09 0.442 -0.407  5.0 0.272 0.461  2.88-.00 .04-.01 .30 .14 .03
     0.450      8      7      7      8 37.5   253.511   3.85   17.13 0.467 -0.178  1.8 0.090 0.985  6.50 .08 .19 .00 .26 .38 .00
     0.480      6      5      5      6 16.7   306.805   4.42   17.20 0.497 -0.497  2.3 0.082 0.922  9.50 .14-.02 .00 .32 .18 .00
     0.510      1      1      1      1  0.0   592.072  10.75   32.09 0.530 -0.530  5.7 0.079 0.790 15.09-.15 .05 .00 .15 .05 .00
     0.540      1      1      1      1  0.0   364.416   4.63   16.09 0.541 -0.541  2.5 0.113 1.000  9.57 .12 .17 .00 .12 .17 .00
     0.570     59     36     39     59 64.4   106.721   2.67   16.6514.456-14.885305.214.119 7.386  0.83-.02 .02 .00 .67 .60 .08
     0.600
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
      dI/I      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.500     67     43     46     67 53.7   148.550   3.20   16.36 9.427 -9.613269.1 8.420 4.797  0.89-.00 .05 .00 .62 .56 .07
    -0.460      7      6      6      7 14.3  1070.867  14.33   17.47 0.443 -0.443  6.6 0.260 0.464  3.02-.07 .02-.00 .29 .15 .01
    -0.420      8      7      8      8 25.0   416.986   6.55   18.50 0.389 -0.389  2.2 0.068 0.606  8.27-.05 .05-.00 .30 .14 .00
    -0.380     12     10     11     12 25.0   428.803   6.70   19.17 0.363 -0.363  2.1 0.055 0.768  9.88-.01-.02 .01 .24 .25 .04
    -0.340     16     14     15     16 18.8  1080.204  12.73   19.77 0.317 -0.317  3.4 0.033 0.550 11.25-.06 .01 .00 .17 .18 .02
    -0.300     23     19     19     23  8.7  1054.745  12.95   17.98 0.279 -0.279  3.4 0.031 0.505  9.53-.02 .05 .00 .22 .19 .00
    -0.260     18     16     16     18  0.0  1603.889  16.96   21.46 0.242 -0.242  3.7 0.045 0.443 10.27-.01 .07 .00 .14 .20 .01
    -0.220     41     34     34     41  2.4  2683.655  24.74   20.78 0.195 -0.195  4.3 0.029 0.331  8.64-.03-.05-.00 .19 .22 .02
    -0.180     61     46     46     61  0.0  2437.595  23.61   23.67 0.156 -0.156  3.2 0.024 0.296  8.19-.01 .00 .01 .14 .09 .04
    -0.140     70     53     53     70  2.9  3687.225  30.23   22.44 0.119 -0.119  3.2 0.026 0.199  5.86-.03 .02-.00 .19 .13 .02
    -0.100    123     87     89    123  0.8  4853.656  37.96   22.54 0.076 -0.076  2.5 0.024 0.139  4.44-.01 .03-.00 .12 .12 .04
    -0.060    181    112    116    181  0.0  5684.068  42.80   22.84 0.036 -0.036  1.4 0.020 0.082  2.95-.02 .01 .00 .10 .11 .06
    -0.020    244    105    107    244  0.8  6325.546  44.78   22.32 0.011  0.001  0.4 0.018 0.054  1.43-.02 .02-.00 .14 .10 .04
     0.020    203    121    125    203  1.0  5765.789  44.41   23.89 0.038  0.038  1.5 0.022 0.083  1.76-.02 .03-.00 .11 .11 .04
     0.060    165    104    106    165  0.6  4911.011  38.83   23.47 0.079  0.079  2.6 0.033 0.147  2.30-.01 .01-.00 .11 .14 .04
     0.100    116     78     78    116  1.7  4537.333  38.12   23.80 0.119  0.119  4.1 0.059 0.232  2.08-.01 .01-.00 .09 .10 .04
     0.140     89     56     56     89  2.2  3710.620  34.29   22.75 0.157  0.157  4.8 0.048 0.280  1.79 .02 .03-.01 .15 .14 .04
     0.180     38     29     31     38  7.9  2949.035  31.27   22.69 0.200  0.200  5.1 0.116 0.312  1.47-.02 .07-.01 .17 .20 .04
     0.220     27     18     19     27  0.0  2487.784  27.87   19.87 0.237  0.237  4.9 0.187 0.213  0.79-.01 .02-.00 .16 .17 .01
     0.260     17     13     13     17  0.0  2045.967  29.37   20.82 0.264  0.264  5.5 0.276 0.128  0.35-.05 .02-.00 .20 .22 .05
     0.300     13      9      9     13 15.4   912.770  10.66   18.25 0.324  0.324  3.4 0.155 0.488  4.10 .06 .00-.01 .21 .14 .03
     0.340      8      8      8      8  0.0   492.470   6.99   19.96 0.364  0.364  2.3 0.124 0.528  6.48 .00 .01 .01 .16 .18 .01
     0.380      4      4      4      4 25.0   243.903   3.73   20.65 0.409  0.409  1.6 0.097 0.612  4.14 .04 .27-.00 .76 .50 .01
     0.420      4      3      3      4 75.0    94.704   1.52   15.33 0.437  0.437  0.7 0.288 0.400  1.30 .16 .07-.02 .31 .11 .04
     0.460      6      3      6      6 83.3   109.494   3.15   24.11 0.497  0.497  1.1 0.197 0.535  2.82 .04-.12 .01 .49 .42 .07
     0.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
    dI/sig      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    541    149    162    541  9.2  2733.917  25.32   20.06 0.018  0.002  0.5 0.022 0.070  1.70-.02 .03 .00 .22 .20 .04
     1.000    332    148    149    332  1.5  4295.713  37.32   21.95 0.040  0.001  1.5 0.023 0.092  2.29-.02 .02-.01 .12 .13 .05
     2.000    221    124    124    221  0.5  4154.206  34.64   22.56 0.071  0.006  2.5 0.029 0.139  3.00 .00 .02-.00 .12 .11 .04
     3.000    166     90     90    166  0.0  5704.655  43.24   23.90 0.081  0.009  3.5 0.024 0.135  3.28-.02 .01-.00 .10 .12 .03
     4.000     99     62     62     99  0.0  6085.610  45.12   24.12 0.100  0.011  4.5 0.017 0.190  5.37-.04 .01-.00 .12 .09 .04
     5.000     71     39     39     71  0.0  6911.612  47.83   24.76 0.112  0.007  5.4 0.026 0.179  4.51-.01 .01-.01 .09 .07 .04
     6.000     35     27     27     35  0.0  6975.434  50.53   27.95 0.127 -0.027  6.4 0.052 0.215  3.09 .00 .03-.01 .10 .11 .04
     7.000     25     16     16     25  0.0  9422.932  64.48   31.03 0.116  0.023  7.5 0.024 0.192  1.83 .00-.00-.00 .05 .09 .01
     8.000     12      9      9     12  0.0  5845.905  58.34   29.91 0.147  0.006  8.5 0.075 0.278  1.22-.03-.08 .00 .07 .32 .01
     9.000      7      5      5      7  0.0  6711.728  60.15   28.65 0.158  0.122  9.5 0.019 0.272  1.22 .02 .04-.04 .05 .08 .13
    10.000     10      7      7     10  0.0  9904.230  77.02   32.28 0.135  0.112 10.4 0.083 0.227  1.00 .00 .01 .00 .08 .06 .04
    11.000      3      3      3      3  0.0 10257.500  82.72   33.06 0.136 -0.036 11.3 0.125 0.192  1.44-.05 .07 .01 .05 .07 .01
    12.000      3      3      3      3  0.0 12233.133  90.02   40.56 0.137  0.137 12.3 0.134 0.299  0.91 .02 .02 .00 .04 .03 .00
    13.000      3      3      3      3  0.0  9081.633  87.16   36.70 0.155  0.155 13.6 0.090 0.271  0.84 .00 .00 .08 .03 .03 .13
    14.000      1      1      1      1  0.0 14264.200  86.08   29.96 0.171  0.171 14.8 0.036 0.270  0.71 .27 .14 .00 .27 .14 .00
    15.000      1      1      1      1  0.0  7987.400 113.94   27.81 0.136  0.136 15.5 0.247 0.258  0.73-.02 .00-.20 .02 .00 .20
    16.000      1      1      1      1  0.0 18436.600 108.64   42.34 0.156  0.156 16.9 0.019 0.306  0.91-.03-.01 .00 .03 .01 .00
    17.000      1      1      1      1  0.0 17878.500 131.94   40.86 0.130  0.130 17.1 0.265 0.316  0.91-.02 .01 .00 .02 .01 .00
    18.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    19.000      3      3      3      3 33.3  9369.728  83.25   25.66 0.235  0.204 19.7 0.307 0.145  0.39-.34-.19 .10 .53 .30 .17
    20.000      1      1      1      1  0.0 18417.801 133.75   43.81 0.155  0.155 20.7 0.020 0.306  0.91 .08 .12 .00 .08 .12 .00
    21.000      3      3      3      3 33.3  8754.731  84.35   25.62 0.250  0.244 21.1 0.291 0.074  0.21-.79 .25 .00 1.3 .43 .00
    22.000      1      1      1      1  0.0 19506.500 112.62   43.69 0.202  0.202 22.8 0.037 0.289  0.91-.03 .03 .00 .03 .03 .00
    23.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    24.000     21     17     17     21 76.2  2221.576  78.58   14.00 2.140 -1.723857.0 1.899 1.462  0.76 .16 .01 .00 .79 .80 .05
    25.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
   Overall      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1603    247    303   1561  4.9  4324.150  36.85   22.06 0.084  0.000 13.9 0.044 0.137  2.22-.01 .02-.00 .20 .18 .04
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
   Centric      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     28      4     12     28 42.9  9187.977 151.40   36.40 0.012 -0.000  0.7 0.014 0.009  0.45-.05 .02-.01 .40 .32 .15
     1.000
 
Coverage Statistics
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_10.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  4.753     47     50  94.00   6.51  0.094    43  86.00  0.094  64.09  4.6
 to  3.801     78     81  96.30   6.45  0.088    71  87.65  0.079  55.56  8.1
 to  3.329    123    127  96.85   6.80  0.086   115  90.55  0.082  36.27  5.1
 to  3.028    162    167  97.01   6.89  0.089   154  92.22  0.111  21.09  2.1
 to  2.814    191    198  96.46   6.70  0.085   182  91.92  0.052  28.87  0.6
 to  2.649    241    249  96.79   6.20  0.085   219  87.95  0.075  20.55 10.3
 to  2.517    264    282  93.62   5.84  0.084   234  82.98  0.057  19.63  0.0
 to  2.408    286    324  88.27   5.54  0.084   246  75.93  0.056  20.11  0.0
 to  2.316    294    353  83.29   5.42  0.084   247  69.97  0.031  27.39  0.0
 to  2.237    303    400  75.75   5.29  0.084   247  61.75  0.000   9.48 33.3
New log file is /home/ithil/data/char419/work/cu_char419_11._ls
!====================================================
!05/22/12   10:38:10
INTEGRATE /TITLE="Integration of char419" &
 "/home/ithil/data/char419/cu_char419_0[1-7]_0001.sfrm,cu_char419_[9-23]_0001" &
 /ORIENTATION="/home/ithil/data/char419/work/49YatN.p4p" /SPATIAL=$P4P &
 /TIMEOUT=0.00 &
 /NFRAMES="51,51,51,25,51,48,21,50,56,12,21,51,12,38,13,39,13,29,50,20,27,29" &
 /EXPOSURE=0.00 /TTM=0.00 /ROLL=0.00 /BATCH=1 /CRYSTAL=1 &
 "/home/ithil/data/char419/work/cu_char419_0[1-7].raw,cu_char419_[9-23]" &
 /SNAP=10 /RESOLUTION=0.770 /IOVSIGMA=-3.0 /VERBOSITY=2 /POINTGROUP=-3 &
 /LATTICE=0 /XSIZE=0.380 /YSIZE=0.380 /ZSIZE=1.010 /STRONG=10.0 /LSFIT &
 /LSFREQ=10 /K1=7 /L1=T /GLOBAL /K2=7 /L2=0 /TPROF=0.050 /LTHR=8.00 &
 /LWT=0.00 /LRES=9999.000 /ORTUPDSCALE=1.00 /GREFLIM=9999 /BGSIG=3.00 &
 /ACTTHRESH=0.00 /BGCSCALE=0 /BGQSCALE=6 /AMNAME=$NEW /NODECAY &
 /MACHINE_ERROR=0.000 /ESDSCALE=1.000 /2THETA=-9999.000 /OMEGA=-9999.000 &
 /PHI=-9999.000 /CHI=-9999.000 /NEXP=-9999 /IAXIS=-9999 /WIDTH=-9999.000 &
 /OVRTIME=-9999.0000 /WIDE /ALPHA12 /TWINBOXRATIO=1.300 /VOLTARGET=1.000 &
 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 &
 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 /TWINSEPARATION=1.000 &
 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 /WTMETH=2 /SMAP=1 /DFRAME &
 /LSVD=5.00000E-05 /GSVD=1.00000E-06 /LMARQ=2.00000E-03 &
 /GMARQ=2.00000E-03 /ZW=1.0000 /CYCLIM=25 /LMIN=0 /GMIN=0 /NSIM=0 &
 /SEED=0 /MMIC=20.000 /SMIC=20.000 /MCVERB=1 /MCREFLIM=4096 /MEDMSK=-1 &
 /SHRMSK=-1
 
Multiple runs have been specified:
  (current run indicated with "*")
 FRAME                   MATRIX                 OUTPUT                  #FRAMES
 u_char419_01_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_01.raw       51
 u_char419_02_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
 u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
 u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
*u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
 u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
 u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
 u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is       10
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_11_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_11_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONF  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 18.29   Thresh = 0.050   Blend = F   #Contributing = 1   InitialProfileWt = 0.938
Region 2
Sum = 243.081;   Maximum = 12.7864;   FM = 0.384
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.0355;   Maximum = 0.0545224;   FM = 0.385
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1.0355;   Maximum = 0.0545224;   FM = 0.385
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1.03115;   Maximum = 0.0547922;   FM = 0.392
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1.00949;   Maximum = 0.0562946;   FM = 0.426
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1.0043;   Maximum = 0.0565168;   FM = 0.431
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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Y>Shvmb8=&$1(#3#7 U{ruah =0 . %000 R|e~t -0F00 3So~dXibuting = 3   InitialProfilOWt0-  =83,
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A wmpjlqu drryig>vewmecvion threshold might help.
 
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Y?Sywmq000> 000 Dxrush = 0.050   Blent -0F00 3So~tributing = 0   I~idya|@rvC|eGd -01> 0 RuwCn0&
Cem0- !.03652;   Maximum0=0 .! 6((8+   FM = 0.55
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        1.00   2.00      0.70     0.147     254
        2.00   4.00      0.86     0.089     167
        4.00   8.00      0.93     0.079      77
        8.00  16.00      0.97     0.025      14
       16.00  32.00      0.00     0.000       0
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Write-behind Cache Diagnostics
Entered in Write-Behind Cache:              0
Removed from WBC:                           0
Partial overlaps from WBC:                  0
Exceeding queue size from WBC:              0
With > 12 components from WBC:              0
 
Total integration time (sec):          0.836
Total time in cell LS (sec):           0.000
Per-frame integration time (sec):      0.076
 
Integration completed normally ======================== 05/22/12 10:38:17
 
Applying profile correlation filter from /home/ithil/data/char419/work/unsorted.raw to /home/ithil/data/char419/work/corrfilt.raw
Scale of    1.120 will be applied to LS-fit intensities
 
Number of reflections read:                    954
Number of LS-fit intensities scaled:           941
Number rejected due to poor spot shape:          2
Number unwritable (I, sigma too large):          0
Number written:                                952
 
Sorting Reflection File ============================== 05/22/12 10:38:17
 
Integration of char419
 
Sorting input files:
              1 /home/ithil/data/char419/work/corrfilt.raw
 
Sorting to output file /home/ithil/data/char419/work/cu_char419_11.raw
 
Component 1 in sample 1 (1 in file):
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
Beginning sort with 128MB memory requested...
       952 reflections read from file   1--/home/ithil/data/char419/work/corrfilt.raw
       952 reflections written to /home/ithil/data/char419/work/cu_char419_11.raw
 
Computing Reflection File Statistics ========== 05/22/12 10:38:18
Integration of char419
 
...................................................................................
Statistics for reflections in cu_char419_11.raw
File is in BrukerAXS area detector ASCII format
 
Number of lines read (incl comments) =              952
Number of reflection records read =                 952
Number of records with bad component number =         0
Number of records with bad status value =             0
Number of spots used =                              952
Number of spot components used =                    952
 
...................................................................................
Integration of char419
Statistics for sample 1 of 1 in cu_char419_11.raw
 
Lattice:  P (Primitive)
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents.
Components in the sample map (* marks current component)
   Component   Wanted        A        B        C    Alpha     Beta    Gamma   PointGp         Constraints
     1.1(1)*        Y   11.517   11.517   53.448   90.000   90.000  120.000     -3(H)           Hexagonal
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
     Det X      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     30      0     30      0100.0    54.188   0.36    8.48 0.000  0.000  0.0 0.000 0.000  0.00 .17-.11 .01 2.6 1.0 .07
    32.000     51      0     51      0 94.1   111.459   0.71    8.89 0.000  0.000  0.0 0.000 0.000  0.00 .12-.02-.01 1.8 .93 .07
    64.000     55      0     55      0 90.9   116.310   0.70    9.38 0.000  0.000  0.0 0.000 0.000  0.00 .29-.21-.01 1.6 .85 .05
    96.000     65      0     65      0 87.7   177.259   0.98    9.73 0.000  0.000  0.0 0.000 0.000  0.00 .33-.29-.01 1.2 .76 .05
   128.000     65      0     65      0 92.3   140.799   0.74   10.00 0.000  0.000  0.0 0.000 0.000  0.00-.00-.30-.00 1.2 .73 .04
   160.000     69      0     69      0 84.1   205.657   1.07   10.28 0.000  0.000  0.0 0.000 0.000  0.00-.02-.52-.00 1.2 .93 .05
   192.000     73      0     73      0 90.4   184.355   0.93   10.49 0.000  0.000  0.0 0.000 0.000  0.00 .18-.34-.01 .91 .90 .04
   224.000     73      0     73      0 76.7   251.096   1.19   10.66 0.000  0.000  0.0 0.000 0.000  0.00-.11-.33 .00 .96 .76 .04
   256.000     82      0     82      0 68.3   372.005   1.74   10.87 0.000  0.000  0.0 0.000 0.000  0.00-.19-.41-.00 .86 .77 .05
   288.000     72      0     72      0 83.3   270.987   1.38   10.61 0.000  0.000  0.0 0.000 0.000  0.00-.13-.63 .00 .78 .83 .04
   320.000     67      0     67      0 61.2   359.600   1.81   10.36 0.000  0.000  0.0 0.000 0.000  0.00-.24-.50-.00 .85 .87 .05
   352.000     62      0     62      0 56.5   495.005   2.45   10.22 0.000  0.000  0.0 0.000 0.000  0.00-.17-.53-.01 .68 .82 .04
   384.000     52      0     52      0 50.0   555.226   2.88    9.74 0.000  0.000  0.0 0.000 0.000  0.00-.25-.65-.01 .72 .88 .05
   416.000     60      0     60      0 45.0   554.427   3.07    9.33 0.000  0.000  0.0 0.000 0.000  0.00-.16-.56 .00 .78 1.1 .02
   448.000     52      0     52      0 40.4   861.971   4.61    9.10 0.000  0.000  0.0 0.000 0.000  0.00-.27-.65-.00 .61 .88 .03
   480.000     24      0     24      0 20.8   946.541   5.02    8.91 0.000  0.000  0.0 0.000 0.000  0.00-.31-.66-.00 .82 .99 .03
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
     Det Y      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     30      0     30      0 63.3   404.091   2.18    8.26 0.000  0.000  0.0 0.000 0.000  0.00 .08-.47-.01 1.1 1.0 .03
    32.000     52      0     52      0 53.8   495.494   2.78    8.60 0.000  0.000  0.0 0.000 0.000  0.00-.11-.47-.00 1.2 .89 .05
    64.000     52      0     52      0 82.7   246.591   1.33    9.26 0.000  0.000  0.0 0.000 0.000  0.00 .21-.25-.01 1.3 .86 .06
    96.000     68      0     68      0 64.7   413.848   2.16    9.70 0.000  0.000  0.0 0.000 0.000  0.00-.15-.45-.00 .96 .72 .05
   128.000     66      0     66      0 74.2   364.102   1.92   10.05 0.000  0.000  0.0 0.000 0.000  0.00-.05-.31-.00 1.1 .83 .05
   160.000     67      0     67      0 73.1   301.448   1.46   10.52 0.000  0.000  0.0 0.000 0.000  0.00-.19-.24-.00 1.1 .67 .05
   192.000     75      0     75      0 74.7   453.418   2.22   10.71 0.000  0.000  0.0 0.000 0.000  0.00-.11-.45-.01 1.1 .80 .04
   224.000     71      0     71      0 64.8   362.226   1.87   10.85 0.000  0.000  0.0 0.000 0.000  0.00-.26-.42-.00 1.0 .86 .04
   256.000     69      0     69      0 71.0   364.270   1.87   10.87 0.000  0.000  0.0 0.000 0.000  0.00-.05-.40 .00 .97 .83 .03
   288.000     76      0     76      0 81.6   247.534   1.35   10.65 0.000  0.000  0.0 0.000 0.000  0.00-.08-.37-.01 1.0 .71 .05
   320.000     68      0     68      0 73.5   318.699   1.63   10.60 0.000  0.000  0.0 0.000 0.000  0.00 .11-.49 .00 1.0 .82 .05
   352.000     63      0     63      0 71.4   302.847   1.59   10.22 0.000  0.000  0.0 0.000 0.000  0.00-.09-.33 .01 1.0 .80 .03
   384.000     59      0     59      0 76.3   283.415   1.40    9.69 0.000  0.000  0.0 0.000 0.000  0.00 .18-.47-.02 1.5 .92 .06
   416.000     59      0     59      0 84.7   206.485   1.18    9.36 0.000  0.000  0.0 0.000 0.000  0.00 .19-.57-.01 1.3 1.1 .05
   448.000     52      0     52      0 78.8   237.245   1.38    8.83 0.000  0.000  0.0 0.000 0.000  0.00-.00-.64-.02 1.1 1.3 .05
   480.000     25      0     25      0 80.0   243.644   1.31    8.42 0.000  0.000  0.0 0.000 0.000  0.00-.44-.60-.00 1.1 .95 .04
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
     Det R      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     21      0     21      0 76.2   321.031   1.55   11.75 0.000  0.000  0.0 0.000 0.000  0.00-.11-.29 .01 .69 .84 .03
    30.000     38      0     38      0 78.9   309.522   1.52   11.65 0.000  0.000  0.0 0.000 0.000  0.00-.09-.57 .00 .85 .79 .03
    60.000     83      0     83      0 75.9   307.563   1.42   11.41 0.000  0.000  0.0 0.000 0.000  0.00-.04-.38-.01 .95 .75 .05
    90.000     93      0     93      0 72.0   310.226   1.52   11.02 0.000  0.000  0.0 0.000 0.000  0.00-.14-.46-.00 .74 .76 .04
   120.000    132      0    132      0 75.0   283.439   1.42   10.59 0.000  0.000  0.0 0.000 0.000  0.00-.13-.38-.00 1.0 .75 .05
   150.000    114      0    114      0 77.2   267.614   1.37   10.16 0.000  0.000  0.0 0.000 0.000  0.00-.08-.38-.00 .99 .73 .05
   180.000    153      0    153      0 77.8   320.963   1.74    9.64 0.000  0.000  0.0 0.000 0.000  0.00 .05-.44-.01 1.1 .87 .04
   210.000    158      0    158      0 67.1   393.033   2.19    9.20 0.000  0.000  0.0 0.000 0.000  0.00 .04-.51-.01 1.3 1.0 .05
   240.000     90      0     90      0 72.2   329.701   1.90    8.71 0.000  0.000  0.0 0.000 0.000  0.00-.11-.30 .00 1.4 .91 .05
   270.000     70      0     70      0 61.4   473.588   2.84    8.08 0.000  0.000  0.0 0.000 0.000  0.00 .02-.46-.00 1.5 1.1 .05
   300.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
   Quadrnt      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    236      0    236      0 89.8   148.862   0.81    9.94 0.000  0.000  0.0 0.000 0.000  0.00 .22-.38-.01 1.4 .90 .05
     2.000    235      0    235      0 63.8   412.334   2.14   10.09 0.000  0.000  0.0 0.000 0.000  0.00-.21-.55-.00 .77 .93 .04
     3.000    245      0    245      0 86.9   184.603   1.00    9.85 0.000  0.000  0.0 0.000 0.000  0.00 .00-.20-.00 1.3 .81 .05
     4.000    236      0    236      0 51.3   582.955   2.90   10.02 0.000  0.000  0.0 0.000 0.000  0.00-.20-.56-.00 .78 .83 .05
     5.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
    Region      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    152      0    152      0 76.3   310.300   1.47   11.50 0.000  0.000  0.0 0.000 0.000  0.00-.06-.44-.00 .89 .79 .04
     2.000     75      0     75      0 44.0   709.067   3.68   10.14 0.000  0.000  0.0 0.000 0.000  0.00-.27-.57-.01 .69 .86 .04
     3.000    118      0    118      0 59.3   420.844   2.23    9.73 0.000  0.000  0.0 0.000 0.000  0.00-.24-.56 .00 .77 .98 .03
     4.000     93      0     93      0 83.9   213.338   1.10    9.83 0.000  0.000  0.0 0.000 0.000  0.00-.10-.51-.02 1.1 1.0 .05
     5.000    113      0    113      0 90.3   150.855   0.84    9.53 0.000  0.000  0.0 0.000 0.000  0.00 .38-.45-.00 1.5 .93 .05
     6.000     84      0     84      0 94.0   117.559   0.68    9.99 0.000  0.000  0.0 0.000 0.000  0.00 .01-.15-.01 1.6 .68 .05
     7.000    123      0    123      0 88.6   159.176   0.91    9.38 0.000  0.000  0.0 0.000 0.000  0.00 .07-.12-.00 1.5 .84 .06
     8.000     89      0     89      0 70.8   307.865   1.54    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.13-.45 .00 .77 .80 .04
     9.000    105      0    105      0 43.8   677.039   3.48    9.39 0.000  0.000  0.0 0.000 0.000  0.00-.16-.58-.01 .71 .85 .05
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.100     45      0     45      0 75.6   286.200   1.74    9.86 0.000  0.000  0.0 0.000 0.000  0.00-.14-.36 .00 .75 .70 .00
     0.331     39      0     39      0 79.5   288.676   1.41    9.69 0.000  0.000  0.0 0.000 0.000  0.00 .20-.21-.01 1.4 .67 .06
     0.761     54      0     54      0 63.0   438.078   2.59   10.00 0.000  0.000  0.0 0.000 0.000  0.00-.19-.40 .00 .49 .67 .00
     1.192     67      0     67      0 65.7   451.082   2.12   10.02 0.000  0.000  0.0 0.000 0.000  0.00-.17-.28-.02 1.2 .71 .06
     1.622     34      0     34      0 82.4   239.559   1.37   10.04 0.000  0.000  0.0 0.000 0.000  0.00 .54-.40 .00 1.2 .70 .00
     2.053     50      0     50      0 62.0   477.213   2.47    9.73 0.000  0.000  0.0 0.000 0.000  0.00-.28-.40-.00 .97 .80 .02
     2.483     25      0     25      0 88.0   234.109   1.21    9.74 0.000  0.000  0.0 0.000 0.000  0.00 .76-.34-.01 1.8 .85 .06
     2.914     57      0     57      0 64.9   414.317   2.23   10.59 0.000  0.000  0.0 0.000 0.000  0.00-.28-.52-.00 .66 .87 .01
     3.344     67      0     67      0 77.6   360.944   1.67    9.95 0.000  0.000  0.0 0.000 0.000  0.00 .21-.40-.01 1.6 .86 .08
     3.775     47      0     47      0 70.2   368.889   2.19    9.90 0.000  0.000  0.0 0.000 0.000  0.00-.07-.66 .00 .68 .94 .00
     4.205     36      0     36      0 72.2   418.570   2.02    9.42 0.000  0.000  0.0 0.000 0.000  0.00 .15-.60-.02 1.3 .98 .08
     4.636     52      0     52      0 75.0   324.284   1.83   10.06 0.000  0.000  0.0 0.000 0.000  0.00 .05-.53 .00 1.1 1.1 .00
     5.066     56      0     56      0 71.4   273.595   1.34   10.45 0.000  0.000  0.0 0.000 0.000  0.00-.71-.45 .01 1.1 .82 .04
     5.497     37      0     37      0 83.8   180.239   0.91   10.09 0.000  0.000  0.0 0.000 0.000  0.00 .11-.36-.00 1.1 .70 .06
     5.927     57      0     57      0 68.4   330.180   1.96    9.60 0.000  0.000  0.0 0.000 0.000  0.00-.29-.60 .00 .67 .00 .00
     6.358     28      0     28      0 89.3   269.224   1.36    9.24 0.000  0.000  0.0 0.000 0.000  0.00-.01-.19 .00 1.4 .88 .06
     6.788     63      0     63      0 77.8   257.561   1.47   10.49 0.000  0.000  0.0 0.000 0.000  0.00-.03-.38 .00 .70 .93 .00
     7.219     64      0     64      0 79.7   223.571   1.04   10.10 0.000  0.000  0.0 0.000 0.000  0.00 .28-.44-.03 1.4 .82 .08
     7.649     39      0     39      0 74.4   278.445   1.65    9.74 0.000  0.000  0.0 0.000 0.000  0.00 .22-.22 .00 1.1 1.2 .00
     8.080     35      0     35      0 60.0   347.120   1.68    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.59-.57 .03 1.4 .99 .05
     8.510
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    20.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    30.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    40.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    50.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    60.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    70.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    80.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    90.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   100.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .0   0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.240      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.270      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.300      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.330      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.360      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.390      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.450      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.480      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.510      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.570      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.600
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
      dI/I      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.460      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.340      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.300      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.220      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.180      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.100      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.060      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.060      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.100      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.180      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.220      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.300      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.340      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.460      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
    dI/sig      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    11.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    12.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    13.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    16.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    17.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    18.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    19.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    20.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    21.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    22.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    23.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    24.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    25.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
   Overall      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    952      0    952      0 73.1   330.709   1.74    9.97 0.000  0.000  0.0 0.000 0.000  0.00-.04-.42-.00 1.1 .87 .05
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
   Centric      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Coverage Statistics
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_11.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  1.380    110   1657   6.64   1.00  0.000     0   0.00  0.000   4.24 38.2
 to  1.264    221   2137  10.34   1.00  0.000     0   0.00  0.000   2.91 47.7
 to  1.179    332   2647  12.54   1.00  0.000     0   0.00  0.000   1.75 66.7
 to  1.113    439   3141  13.98   1.00  0.000     0   0.00  0.000   1.75 72.0
 to  1.060    545   3630  15.01   1.00  0.000     0   0.00  0.000   1.20 76.4
 to  1.015    638   4132  15.44   1.00  0.000     0   0.00  0.000   0.92 91.4
 to  0.978    723   4621  15.65   1.00  0.000     0   0.00  0.000   1.02 84.7
 to  0.945    812   5118  15.87   1.00  0.000     0   0.00  0.000   0.87 91.0
 to  0.916    888   5630  15.77   1.00  0.000     0   0.00  0.000   0.67 92.1
 to  0.891    952   6096  15.62   1.00  0.000     0   0.00  0.000   0.57 95.3
New log file is /home/ithil/data/char419/work/cu_char419_12._ls
!====================================================
!05/22/12   10:38:18
INTEGRATE /TITLE="Integration of char419" &
 "/home/ithil/data/char419/cu_char419_0[1-7]_0001.sfrm,cu_char419_[9-23]_0001" &
 /ORIENTATION="/home/ithil/data/char419/work/49YatN.p4p" /SPATIAL=$P4P &
 /TIMEOUT=0.00 &
 /NFRAMES="51,51,51,25,51,48,21,50,56,12,21,51,12,38,13,39,13,29,50,20,27,29" &
 /EXPOSURE=0.00 /TTM=0.00 /ROLL=0.00 /BATCH=1 /CRYSTAL=1 &
 "/home/ithil/data/char419/work/cu_char419_0[1-7].raw,cu_char419_[9-23]" &
 /SNAP=10 /RESOLUTION=0.770 /IOVSIGMA=-3.0 /VERBOSITY=2 /POINTGROUP=-3 &
 /LATTICE=0 /XSIZE=0.380 /YSIZE=0.380 /ZSIZE=1.010 /STRONG=10.0 /LSFIT &
 /LSFREQ=10 /K1=7 /L1=T /GLOBAL /K2=7 /L2=0 /TPROF=0.050 /LTHR=8.00 &
 /LWT=0.00 /LRES=9999.000 /ORTUPDSCALE=1.00 /GREFLIM=9999 /BGSIG=3.00 &
 /ACTTHRESH=0.00 /BGCSCALE=0 /BGQSCALE=6 /AMNAME=$NEW /NODECAY &
 /MACHINE_ERROR=0.000 /ESDSCALE=1.000 /2THETA=-9999.000 /OMEGA=-9999.000 &
 /PHI=-9999.000 /CHI=-9999.000 /NEXP=-9999 /IAXIS=-9999 /WIDTH=-9999.000 &
 /OVRTIME=-9999.0000 /WIDE /ALPHA12 /TWINBOXRATIO=1.300 /VOLTARGET=1.000 &
 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 &
 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 /TWINSEPARATION=1.000 &
 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 /WTMETH=2 /SMAP=1 /DFRAME &
 /LSVD=5.00000E-05 /GSVD=1.00000E-06 /LMARQ=2.00000E-03 &
 /GMARQ=2.00000E-03 /ZW=1.0000 /CYCLIM=25 /LMIN=0 /GMIN=0 /NSIM=0 &
 /SEED=0 /MMIC=20.000 /SMIC=20.000 /MCVERB=1 /MCREFLIM=4096 /MEDMSK=-1 &
 /SHRMSK=-1
 
Multiple runs have been specified:
  (current run indicated with "*")
 FRAME                   MATRIX                 OUTPUT                  #FRAMES
 u_char419_01_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_01.raw       51
 u_char419_02_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
 u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
 u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
 u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
*u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
 u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
 u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is       11
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_12_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_12_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONFIGURE menu)
Faceplate transmittance  :    0.9101 (from CONFIGURE menu)
Phosphor absorption      :    0.9200 (from CONFIGURE menu)
Air absorption (per CM)  :    0.0106 (from CONFIGURE menu)
Active pixel threshold:        0.000 (from Advanced menu)
 
Frames were acquired with BIS 2011.8.1.0/09-Aug-2011:
   Rescan threshold is 95% of A/D conversion range
 
Starting swing angle will be obtained from frame header
Starting omega will be obtained from frame header
Starting phi will be obtained from frame header
Starting chi will be obtained from frame header
Number of exposures summed will be obtained from frame header
Scan axis will be obtained from frame header
Scan width will be obtained from frame header
Exposure time will be obtained from frame header
 
Initial background ================== 05/22/12 10:38:18
Initial background range (deg) =      80.00, interleave = 2
Number of BG pixels >= 64K:               0
 
Initial BG frame written to cu_char419_ib_12_0001.sfrm
 
Nominal time per frame (s):          74.4
Intensity normalization in deg/min:  3.22581
Output intensities are multiplied by this value
   to place on scale of 1 min/deg
 
Reading orientation and spatial calibration ========== 05/22/12 10:38:18
 
Reading spatial correction from /home/ithil/data/char419/work/49YatN.p4p
Single-detector spatial correction will be used
Orientation for 1 component(s) read from /home/ithil/data/char419/work/49YatN.p4p
Detector distance of    5.000 cm was obtained from frame header of first frame in run
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
... Input P4P data for sample 1 of 1:
... This sample is a single0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 1: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    234      4    234      4100.0    48.516   0.27    9.83 0.805 -0.004  0.8 0.000 1.610  0.00 .13-.14 .00 2.2 .65 .11
     0.050     83      1     83      1100.0    30.539   0.18    9.75 4.462 -0.042  0.5 0.000 8.924  0.00 .78-.19 .01 2.0 .63 .08
     0.100     56      2     56      2100.0    53.754   0.29    9.69 0.402  0.057  0.4 0.000 0.804  0.00 .85-.30 .03 1.8 .69 .08
     0.150     60      2     60      2100.0    36.031   0.20    9.64 0.853 -0.048  0.4 0.000 1.706  0.00 1.7-.42 .01 2.6 .85 .04
     0.200     82      2     81      3 98.8    46.995   0.32   10.03 0.190  0.001  0.0 0.000 0.393  0.00 .43-.36 .00 1.6 .72 .00
     0.250     96      2     96      2 95.8    61.485   0.48    9.76 0.300  0.036  0.5 0.000 0.601  0.00-.02-.30 .00 1.0 .77 .01
     0.300     99      5     99      5 98.0    60.553   0.47    9.54 0.398  0.102  0.7 0.000 0.795  0.00-.03-.32 .00 .74 .67 .00
     0.350    120      2    120      2 97.5    70.458   0.52    9.79 0.573 -0.012  0.5 0.000 1.147  0.00-.10-.43 .00 .78 .81 .00
     0.400    103      2    103      2 98.1    42.921   0.32   10.03 0.554  0.034  0.5 0.000 1.107  0.00-.20-.30 .00 .73 .78 .00
     0.450    107      4    107      4100.0    39.461   0.31    9.91 0.966  0.021  0.4 0.000 1.932  0.00 .05-.31 .00 .68 .70 .00
     0.500     91      2     91      2 98.9    46.602   0.36    9.78 2.409 -0.030  0.4 0.000 4.818  0.00-.15-.24 .00 .73 .74 .00
     0.550    107      3    107      3 99.1    51.837   0.40    9.74 1.401 -0.084  0.9 0.000 2.802  0.00-.05-.16 .00 .84 .73 .00
     0.600    112      6    112      6 98.2    69.759   0.53    9.72 0.498  0.071  0.7 0.000 0.996  0.00-.23-.36 .00 .76 .70 .00
     0.650    109      4    109      4 97.2    57.097   0.43    9.54 0.634 -0.008  0.3 0.000 1.267  0.00 .03-.32 .00 .73 .77 .00
     0.700    100      3    100      3 98.0    44.940   0.37    9.80 0.629  0.008  0.7 0.000 1.259  0.00 .02-.35 .00 .80 .73 .00
     0.750     74      2     74      2 98.6    43.789   0.32    9.90 1.931 -0.060  0.6 0.000 3.863  0.00-.86-.35 .00 2.1 .83 .00
     0.800     63      2     63      2 98.4    40.469   0.24    9.67 1.128 -0.026  0.2 0.000 2.256  0.00-2.3-.21-.01 3.1 .74 .05
     0.850     69      1     69      1100.0    34.898   0.19    9.80 1.117 -0.047  0.6 0.000 2.234  0.00-1.4-.45-.02 2.1 .87 .07
     0.900     98      5     98      5100.0    50.932   0.28    9.49 0.647 -0.019  0.4 0.000 1.295  0.00-.43-.18-.02 1.9 .65 .08
     0.950    188      5    188      5 98.9    73.816   0.41    9.77 1.308 -0.027  0.5 0.000 2.616  0.00-.24-.19 .00 1.9 .67 .10
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.846      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.691      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.383      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.766      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    29.531      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    59.062      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   118.125      4      0      4      0100.0     2.026   0.01   10.60 0.000  0.000  0.0 0.000 0.000  0.00-.48 .22 .00 .59 1.1 .00
   236.250   1175     23   1164     34 98.4    52.220   0.40    9.80 0.666  0.000  0.5 0.000 1.192  0.00-.08-.32 .00 .77 .73 .00
   472.500    872     19    865     26 99.3    52.667   0.30    9.71 0.647 -0.001  0.6 0.000 1.038  0.00-.10-.23 .00 2.3 .72 .09
   945.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.228      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.455      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.683      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.910      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.138     11      2     11      2100.0   110.242   0.64    7.24 0.640  0.133  0.5 0.000 1.280  0.00-.15-.51-.00 .70 .73 .01
     7.365    361     27    350     38 96.1    82.670   0.51    8.12 0.653 -0.004  0.5 0.000 1.038  0.00-.13-.39-.00 1.7 .85 .06
     8.593    683     17    680     20 98.7    58.679   0.39    9.16 0.663 -0.001  0.5 0.000 1.229  0.00-.07-.30-.00 1.6 .77 .06
     9.820    623      0    623      0 99.7    41.595   0.28   10.40 0.000  0.000  0.0 0.000 0.000  0.00-.04-.22-.00 1.5 .66 .06
    11.047    373      0    373      0100.0    27.467   0.19   11.48 0.000  0.000  0.0 0.000 0.000  0.00-.14-.22 .00 1.5 .62 .05
    12.275
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    273      5    273      5100.0    27.789   0.18    9.76 0.777 -0.022  0.3 0.000 1.554  0.00-2.6-.11 .06 2.9 .78 .10
    -1.380     32      2     32      2100.0    48.810   0.28    9.47 0.876 -0.063  0.4 0.000 1.752  0.00-1.3-.39 .01 1.3 .76 .03
    -1.260     52      2     52      2100.0    35.340   0.23    9.63 1.493 -0.126  0.7 0.000 2.986  0.00-1.2-.26 .02 1.2 .73 .06
    -1.140     59      4     59      4100.0    35.632   0.23    9.74 0.554  0.034  0.3 0.000 1.107  0.00-1.1-.17 .01 1.1 .77 .05
    -1.020     56      1     56      1100.0    53.338   0.35    9.73 1.335 -0.022  0.4 0.000 2.671  0.00-.96-.36 .00 .96 .73 .02
    -0.900     64      3     64      3 95.3    71.788   0.47    9.58 0.650  0.001  0.4 0.000 1.299  0.00-.84-.37 .00 .85 .72 .02
    -0.780     75      2     75      2 97.3    75.790   0.50    9.33 0.808 -0.005  0.4 0.000 1.615  0.00-.71-.43 .00 .71 .72 .01
    -0.660     73      4     73      4 95.9    84.736   0.58    9.68 0.645  0.011  1.2 0.000 1.290  0.00-.60-.52 .01 .60 .80 .04
    -0.540     94      2     94      2 93.6    80.724   0.55    9.86 0.400  0.074  1.3 0.000 0.800  0.00-.48-.38 .00 .48 .75 .01
    -0.420     99      4     99      4 97.0   100.565   0.65    9.78 0.778 -0.031  0.9 0.000 1.556  0.00-.36-.29 .00 .37 .70 .02
    -0.300     80      2     80      2 96.2    68.593   0.46    9.73 0.607  0.029  0.5 0.000 1.214  0.00-.24-.39 .00 .25 .78 .02
    -0.180    109      2    109      2 98.2    91.770   0.62    9.89 0.536  0.007  0.4 0.000 1.071  0.00-.12-.40-.00 .12 .67 .01
    -0.060    111      7    111      7 98.2    72.478   0.48    9.79 0.638 -0.001  0.5 0.000 1.276  0.00-.00-.29-.00 .04 .70 .03
     0.060    101      3    101      3 99.0    79.099   0.53    9.79 0.366  0.037  0.5 0.000 0.733  0.00 .12-.36-.00 .12 .72 .02
     0.180     67      1     67      1100.0    56.773   0.39    9.93 0.826  0.025  0.4 0.000 1.653  0.00 .24-.45-.01 .25 .67 .02
     0.300     79      2     79      2100.0    48.102   0.34   10.05 2.096 -0.027  0.5 0.000 4.193  0.00 .36-.23-.00 .36 .62 .01
     0.420     79      3     79      3100.0    53.869   0.37    9.91 0.720 -0.021  0.4 0.000 1.441  0.00 .48-.18-.00 .48 .65 .02
     0.540     60      0     60      0100.0    49.691   0.35    9.89 0.000  0.000  0.0 0.000 0.000  0.00 .60-.18-.01 .60 .64 .02
     0.660     54      2     54      2100.0    49.286   0.34    9.85 0.475  0.059  0.3 0.000 0.951  0.00 .72-.30 .00 .72 .61 .02
     0.780     58      2     58      2100.0    31.650   0.24    9.49 7.157 -0.078  0.5 0.00014.313  0.00 .84-.22-.00 .84 .63 .03
     0.900     53      0     53      0100.0    14.806   0.10    9.84 0.000  0.000  0.0 0.000 0.000  0.00 .95-.11-.02 .95 .79 .04
     1.020     36      1     36      1100.0    47.715   0.35    9.62 0.296  0.018  0.1 0.000 0.592  0.00 1.1-.34-.02 1.1 .71 .04
     1.140     18      1     18      1100.0     5.963   0.05    9.74 1.506 -1.246  0.6 0.000 3.011  0.00 1.2-.31-.00 1.2 .55 .02
     1.260     18      1     18      1100.0    26.640   0.16    9.54 0.278 -0.017  0.1 0.000 0.556  0.00 1.3-.16-.04 1.3 .62 .07
     1.380    251      4    251      4100.0    12.979   0.09    9.81 0.966 -0.037  0.2 0.000 1.931  0.00 2.7-.20-.06 3.0 .79 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     87      6     87      6 97.7    40.238   0.29    9.11 1.320 -0.242  0.8 0.000 2.639  0.00 .11-1.6-.00 2.3 1.6 .06
    -1.380     47      3     47      3 97.9    43.085   0.29    9.48 1.647 -0.174  0.6 0.000 3.295  0.00-.52-1.3-.00 2.0 1.3 .03
    -1.260     56      2     56      2 91.1   130.178   0.83    9.46 0.588 -0.014  0.5 0.000 1.176  0.00 .09-1.2-.01 1.4 1.2 .06
    -1.140     58      0     58      0 96.6    41.332   0.28    9.72 0.000  0.000  0.0 0.000 0.000  0.00 .23-1.1-.02 1.7 1.1 .07
    -1.020    108      8    108      8 98.1    61.643   0.39    9.67 0.900 -0.029  0.5 0.000 1.800  0.00-.16-.96 .00 1.5 .96 .05
    -0.900    131      4    131      4 96.9    71.520   0.46    9.58 0.500  0.020  0.5 0.000 1.000  0.00-.06-.84-.00 1.3 .84 .04
    -0.780    136      8    135      9 98.5    93.623   0.60    9.51 0.459  0.048  0.5 0.000 0.929  0.00-.06-.71-.00 1.2 .72 .04
    -0.660    134      5    134      5 97.8    72.878   0.47    9.88 0.410  0.079  0.7 0.000 0.821  0.00-.23-.60 .00 1.2 .60 .04
    -0.540    136      2    136      2 98.5    71.940   0.45    9.92 1.394 -0.023  0.6 0.000 2.788  0.00-.20-.48 .01 1.2 .48 .06
    -0.420    168      3    168      3 99.4    70.247   0.47    9.79 0.513  0.008  0.6 0.000 1.025  0.00-.09-.36 .00 1.3 .36 .05
    -0.300    138      3    138      3100.0    44.906   0.29   10.06 0.616 -0.013  0.3 0.000 1.233  0.00-.13-.24 .01 1.4 .24 .06
    -0.180    122      2    122      2 99.2    38.099   0.25    9.96 0.416  0.007  0.1 0.000 0.832  0.00-.13-.13-.00 1.4 .13 .06
    -0.060    134      2    134      2100.0    32.839   0.22    9.88 0.603  0.004  0.4 0.000 1.207  0.00-.09-.00 .00 1.3 .04 .05
     0.060    108      0    108      0100.0    40.199   0.28    9.98 0.000  0.000  0.0 0.000 0.000  0.00 .25 .13-.01 1.3 .13 .06
     0.180     90      2     90      2100.0    32.068   0.21   10.01 1.886 -0.032  0.3 0.000 3.773  0.00-.06 .24 .00 1.3 .24 .05
     0.300     76      3     76      3100.0    53.977   0.36    9.82 0.466  0.055  0.4 0.000 0.931  0.00 .04 .35-.00 1.3 .36 .06
     0.420     70      2     70      2100.0    35.911   0.24    9.84 1.305  0.012  0.4 0.000 2.609  0.00 .10 .48-.00 2.0 .48 .09
     0.540     64      2     64      2100.0    27.089   0.20    9.82 1.046 -0.036  0.5 0.000 2.091  0.00-.15 .59 .02 1.6 .59 .07
     0.660     46      2     46      2100.0     1.007   0.01    9.78 1.033 -0.023  0.4 0.000 2.067  0.00-.58 .72 .01 1.9 .72 .03
     0.780     39      0     39      0100.0     9.143   0.07    9.90 0.000  0.000  0.0 0.000 0.000  0.00 .34 .85-.02 2.7 .85 .08
     0.900     27      0     27      0100.0    24.537   0.18    9.66 0.000  0.000  0.0 0.000 0.000  0.00 .15 .95-.01 2.2 .95 .08
     1.020     20      0     20      0100.0     5.327   0.04    9.87 0.000  0.000  0.0 0.000 0.000  0.00 .00 1.1 .01 2.3 1.1 .03
     1.140     22      0     22      0100.0   -11.149  -0.08    9.54 0.000  0.000  0.0 0.000 0.000  0.00-.51 1.2 .03 2.2 1.2 .09
     1.260     13      0     13      0100.0    36.287   0.28    9.24 0.000  0.000  0.0 0.000 0.000  0.00-.16 1.3-.03 2.5 1.3 .08
     1.380     21      0     21      0100.0   -11.969  -0.10    9.22 0.000  0.000  0.0 0.000 0.000  0.00-1.5 1.6 .00 4.2 1.6 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_12.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      2      0      2      0100.0    31.474   0.15   10.80 0.000  0.000  0.0 0.000 0.000  0.00 3.3-.81-.32 3.7 1.1 .32
    -0.300     30      0     30      0100.0    20.647   0.14    9.26 0.000  0.000  0.0 0.000 0.000  0.00 3.8 .22-.22 4.2 .94 .22
    -0.180    116      1    116      1100.0    53.505   0.30    9.81 1.230 -0.059  1.6 0.000 2.460  0.00 1.8-.25-.11 2.2 .69 .12
    -0.060   1761     30   1735     56 98.6    52.207   0.36    9.76 0.639  0.003  0.5 0.000 0.900  0.00-.11-.31-.00 1.3 .73 .01
     0.060    110      1    110      1100.0    73.243   0.42    9.94 0.325  0.016  0.5 0.000 0.650  0.00-1.9-.01 .12 2.3 .70 .13
     0.180     31      2     31      2100.0    17.873   0.11    9.59 1.240 -0.061  0.5 0.000 2.480  0.00-3.1-.20 .21 3.3 .76 .21
     0.300      1      0      1      0100.0  -143.213  -0.70    7.93 0.000  0.000  0.0 0.000 0.000  0.00-2.5-.67 .32 2.5 .67 .32
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of cha= 0.0236143;   FM = 1
!Region 2: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 4->6
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!Region 2: Section 7->9
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  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
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!Region 3: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 3: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 4: Section 4->6
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!Region 4: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 5: Section 4->6
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!Region 5: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  96.98%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   56 -0.62 -0.44  0.03  1.59  0.86  0.06 32.304   0  100  0.26    9 0.44 0.31 1.01 1.000
    1_0002  117  0.21 -0.36 -0.00  1.59  0.75  0.05 31.579   0   98  0.27    9 0.44 0.31 1.01 1.000
    2_0003   91  0.04 -0.23  0.01  1.36  0.66  0.05 49.322   0   96  0.25    9 0.44 0.31 1.01 1.000
    3_0004  114 -0.03 -0.28  0.00  1.45  0.68  0.05 44.346   0   96  0.23    9 0.44 0.31 1.01 1.000
    4_0005   93  0.10 -0.19 -0.00  1.55  0.57  0.07 54.044   0   98  0.25   10 0.44 0.31 1.01 1.000
WARNING: bad direction cosines for HKL, MNP -11 0 6, 0 0 0, 0.0102503
 
    5_0006   96 -0.41 -0.32  0.02  1.49  0.66  0.07 49.846   0   97  0.28    9 0.44 0.31 1.01 1.000
    6_0007  108  0.14 -0.11 -0.01  1.89  0.68  0.06 53.405   0   94  0.29    9 0.44 0.31 1.01 1.000
    7_0008   88 -0.26 -0.19 -0.01  1.36  0.55  0.05 76.936   1   94  0.28   10 0.44 0.31 1.01 1.000
    8_0009  104 -0.57 -0.24  0.01  1.96  0.77  0.07 56.710   1   98  0.28   10 0.44 0.31 1.01 1.000
    9_0010  102 -0.20 -0.08  0.00  1.54  0.55  0.06 80.735   1   95  0.29    9 0.44 0.31 1.01 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_13_0001.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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Bev}nuueoe,0ka}dlu010f01 -- gioslg4clzpmweo` tutq~xic0Yp5;,o7s7k  <-35*nsft}bKl with 3#inbicms .HKO)
 
Too few rff}dcfko|x tmr1nrifnta^io~0ruvi~umu~t>A0cmq|lub cdXong-reflfctlon,thweskold might help.
CG1znausyft vritten
to0?h}e?ztxl?|adw/s{ab$1)?]ork/bd_boab]1!V0"22?rfrn
 
I/Sigma$=14.": 3#Tzxebl =$0.00 00B|vne1="T "9#A}nucirfty~M = 0 & [li`nazQr{ai~gWt&= 1.000
Reoi}g 'Sbe +!1))  EaxiGtejiv04;6VfpyxozQY?16!BuMyo~01"0A|sbxy8!;/#9008 0  00 "01!03'27(!0 07(0370!1 0" 00  0 (02)06!07(06!02908  0
  0# 6&22(47&61#47 2006 0  00  4 (82816!87(46!029008 0  00  3 &62"84'66!34'02206  0
# !" !&1#*2 "2(!22#1003 0  04 14 691772;93642)414004 0  03 21 521092022812"31103  0
# 3# 5# 4  "" *" 6&
3000 0  08 29 61 38 >1139 (8 4000 0  36 42 <7 31 17 :2 &6 300 #0) 0+ 4( 5* 7  "* 0(
0000 0" !1 37 58100 78 17 11 0200 0  48 :9171 ?8 21 29  8 000 $0#Relihn 32 Vfcfoon&-.)
 0  0( ") &! '( &! ") 0(   0  0  3& $" ,'  ! '' "" 0&     #01"0##0 +0 +0##01"0 # 0 
 0  0$ !$ "* ## "* !$ 0$   0  0  0# "! &" !) "" !! 0#      0 %01"01"01)0 #0 #0   0 
 0  0  0! !) 0% !) 0! 0    0  0  0  0# 0% 0, 0% 0# 0       0  0 #0 $0 #0  0  0   0 
 0  0# !! "" "+ "" !! 0#   0  0  0  0# 0& 0( 0& 0# 0    !Ruwi~ $* Cucdyo~07=.9!BuMyo~01.0Bqsfp}7$?'&4004 0  00  0  0 $0 (01!0 (0 4000 0  00  0 "0  0  0 "0  0 000  0
  0  3#11$22#29 22 1003 0  30 &0 (0 %0 %0 (0 &0 3000 0  40 (01!0 (0 $0  0  0 000  0
# 0# !) $"1 "14%11 
5000 3 1102"02)32"41"3 '0 #0 0000 4 1402)03'02)01$0 $0  0 000 #0" 3# 0+ 0+ 0# %" 3#
0000 6 2204'36!64'82"6 &3  0 0000 8 2906!07(06!02)0 (0  0 000 &0& 5# 4( 7  0+ !" 0$
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N/Slmme(= ;.!9  #~hbush6-2">$"#616V{}|v6=6U 00#C~trqrgmyxv0*8 610[wytqql@bofyVeWr /"1:207
R`dilm 8	Sum
=0!; 30\ph{e9.2":!# 6"$3+0  V] =4!5Bw~y|y0*#0Bqst}n0!->#0  3 11 22 2: 26 12  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2# 0$ 0# 0  0    0 
I/Sigma = 0.00   ThresB!_ewgk01* 19&:>os4Q--9	So~dryruding = 0 % Xoiema}Qrosi|uWd001> 0 Ruwi~ %Se} - 1;   Mahi}em0- #>0$#6)$3-0
3F]0=0!
1Redioi $8 Agcf`o|"1</33  0
  0  0  0  0  2  0  00    0    0  0  4  8 11  8 
4000 0  501!01 0 %02,03'02)01404  0
  0# 0$ 0# 0  0  0  00    0    0  0  3  6  8  6 
3000 3 1102"02*3##4##32*02"01103  0
# 0& 0( 0& 0# 0  0  00    0    0  0# 0$ 3# 4  3 
0000 4 1402)53612=4 411 51!0 500  0
$ 0( !! 0( 0$ 0  0  00    0    0# 0$ 0( 0& 0# 0 
0000 3 1132312;2209102 61 #3 000  0
# 0& 0( 0$ 0# 0  0  00    0    0$ 0( !! 0( 0$ 0 
0000 0  54104169127 79 14  4 000  0
!Redioj 89 Section 4-.6  0  0  3  6  8  6  3  0
  0  0  0# "! &" !+ "" !! 0#      0  0  0  0  0  0  0  0 00  0  0  3  5  <  5  3  0
  0  0  0  0! !) 0% !) 0! 0       0  0  3  6  8  6  3  0 00  0  3 11 22 29 22 11  3
 
I/Sigma$=14.": 3#Tzxebl =$0.00 00B|vne1="T "9#A}nucirfty~M = 0 & [li`nazQr{ai~gWt&= 1.000
Reoi}g $Sbe +!1))  EaxiGtejiv05;6VfpyxozQY?16!BuMyo~02"0A|sbxy8!;/#9008 0  00 "01!03'27(!0 07(0370!1 0" 00  0 (02)06!07(06!02908  0
  0# 6&22(47&61#47 2006 0  00  4 (82816!87(46!029008 0  00  3 &62"84'66!34'02206  0
# !" !&1#*2 "2(!22#1003 0  04 14 691772;93642)414004 0  03 21 521092022812"31103  0
# 3# 5# 4  "" *" 6&
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0000 0" !1 37 58100 78 17 11 0200 0  48 :9171 ?8 21 29  8 000 $0#Relihn <2 Vfcfoon&-.)
 0  0( ") &! '( &! ") 0(   0  0  3& $" ,'  ! '' "" 0&     #01"0##0 +0 +0##01"0 # 0 
 0  0$ !$ "* ## "* !$ 0$   0  0  0# "! &" !) "" !! 0#      0 %01"01"01)0 #0 #0   0 
 0  0  0! !) 0% !) 0! 0    0  0  0  0# 0% 0, 0% 0# 0       0  0 #0 $0 #0  0  0   0 
 0  0# !! "" "+ "" !! 0#   0  0  0  0# 0& 0( 0& 0# 0    !Ruwi~ %* Cucdyo~07=.9!BuMyo~02.0Bqsfp}7$?'&4004 0  00  0  0 $0 (01!0 (0 4000 0  00  0 "0  0  0 "0  0 000  0
  0  3#11$22#29 22 1003 0  30 &0 (0 %0 %0 (0 &0 3000 0  40 (01!0 (0 $0  0  0 000  0
# 0# !) $"1 "14%11 
5000 3 1102"02)32"41"3 '0 #0 0000 4 1402)03'02)01$0 $0  0 000 #0" 3# 0+ 0+ 0# %" 3#
0000 6 2204'36!64'82"6 &3  0 0000 8 2906!07(06!02)0 (0  0 000 &0& 5# 4( 7  0+ !" 0$
0000 8 2906!47(86012)8 (4  0 002011 3707(!0 07(23'01!0 "0 000 (0*
N/Slmme(= ;.!9  #~hbush6-2">$"#616V{}|v6=6U 00#C~trqrgmyxv0*8 610[wytqql@bofyVeWr /"1:207
R`dilm 9	Sum
=0!; 30\ph{e9.2":!# 6"$3+0  V] =4!5Bw~y|y0+#0Bqst}n0!->#0  3 11 22 2: 26 12  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2# 0$ 0# 0  0    0 
I/Sigma = 0.00   ThresB!_ewgk02* 19&:>os4Q--9	So~dryruding = 0 % Xoiema}Qrosi|uWd001> 0 Ruwi~ &Se} - 1;   Mahi}em0- #>0$#6)$3-0
3F]0=0!
1Redioi '8 Agcf`o|"1</33  0
  0  0  0  0  2  0  00    0    0  0  4  8 11  8 
4000 0  501!01 0 %02,03'02)01404  0
  0# 0$ 0# 0  0  0  00    0    0  0  3  6  8  6 
3000 3 1102"02*3##4##32*02"01103  0
# 0& 0( 0& 0# 0  0  00    0    0  0# 0$ 3# 4  3 
0000 4 1402)53612=4 411 51!0 500  0
$ 0( !! 0( 0$ 0  0  00    0    0# 0$ 0( 0& 0# 0 
0000 3 1132312;2209102 61 #3 000  0
# 0& 0( 0$ 0# 0  0  00    0    0$ 0( !! 0( 0$ 0 
0000 0  54104169127 79 14  4 000  0
!Redioj 99 Section 4-.6  0  0  3  6  8  6  3  0
  0  0  0# "! &" !+ "" !! 0#      0  0  0  0  0  0  0  0 00  0  0  3  5  <  5  3  0
  0  0  0  0! !) 0% !) 0! 0       0  0  3  6  8  6  3  0 00  0  3 11 22 29 22 11  3
 
I/Sigma$=14.": 3#Tzxebl =$0.00 00B|vne1="T "9#A}nucirfty~M = 0 & [li`nazQr{ai~gWt&= 1.000
Reoi}g %Sbe +!1))  EaxiGtejiv06;6VfpyxozQY?16!BuMyo~03"0A|sbxy8!;/#9008 0  00 "01!03'27(!0 07(0370!1 0" 00  0 (02)06!07(06!02908  0
  0# 6&22(47&61#47 2006 0  00  4 (82816!87(46!029008 0  00  3 &62"84'66!34'02206  0
# !" !&1#*2 "2(!22#1003 0  04 14 691772;93642)414004 0  03 21 521092022812"31103  0
# 3# 5# 4  "" *" 6&
3000 0  08 29 61 38 >1139 (8 4000 0  36 42 <7 31 17 :2 &6 300 #0) 0+ 4( 5* 7  "* 0(
0000 0" !1 37 58100 78 17 11 0200 0  48 :9171 ?8 21 29  8 000 $0#Relihn =2 Vfcfoon&-.)
 0  0( ") &! '( &! ") 0(   0  0  3& $" ,'  ! '' "" 0&     #01"0##0 +0 +0##01"0 # 0 
 0  0$ !$ "* ## "* !$ 0$   0  0  0# "! &" !) "" !! 0#      0 %01"01"01)0 #0 #0   0 
 0  0  0! !) 0% !) 0! 0    0  0  0  0# 0% 0, 0% 0# 0       0  0 #0 $0 #0  0  0   0 
 0  0# !! "" "+ "" !! 0#   0  0  0  0# 0& 0( 0& 0# 0    !Ruwi~ &* Cucdyo~07=.9!BuMyo~03.0Bqsfp}7$?'&4004 0  00  0  0 $0 (01!0 (0 4000 0  00  0 "0  0  0 "0  0 000  0
  0  3#11$22#29 22 1003 0  30 &0 (0 %0 %0 (0 &0 3000 0  40 (01!0 (0 $0  0  0 000  0
# 0# !) $"1 "14%11 
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0000 8 2906!47(86012)8 (4  0 002011 3707(!0 07(23'01!0 "0 000 (0*
Eacnmrk}nd+pxqelp
u`tatst2/04.%8%"178226 63 00  00 Pwbf50u~~y}sbx|j* 8"0  , !0Inreupa`koi oc#ckbr429
 
 03 Fz|t13@wv29V``L11VraI 0UrrJ0 RycI40@tcJ70@tcK4Yn{bm03Siw%<1s1=C}p>2/Fgj IQiz#YSiP JCiz00Bvqm0 8"0I 0!! 0!0$0 0> 7 0 .'' 5 ?!  8!."' 0 .(!   06 14-80?  (0 &103  0.24
 009  06  0.25 -0.00  1.57  0.73  0.05 16.694   0  100  0.23    9 0.44 0.31 1.01 1.000
   45_0046   79 -0.43  0.20  0.01  1.80  0.85  0.05 14.958   0   99  0.22   10 0.44 0.31 1.01 1.000
   46_0047  117  0.18  0.23 -0.00  1.69  0.74  0.05 19.807   0   98  0.22    9 0.44 0.31 1.01 1.000
   47_0048   93 -0.17  0.22  0.01  1.37  0.73  0.04 37.945   0   99  0.22    9 0.44 0.31 1.01 1.000
   48_0049  113 -0.18  0.32 -0.00  1.64  0.78  0.05 36.995   0   96  0.25    9 0.44 0.31 1.01 1.000
   49_0050   93  0.16  0.21 -0.00  1.59  0.76  0.05 43.242   0   99  0.26   10 0.44 0.31 1.01 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_13_0005.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 1: Section 4->6
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!Region 1: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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!Region 3: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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!Region 4: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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!Region 6: Section 7->9
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  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0     ErX ErY ErZ RmX RmY RmZ
    12.000   5023    518   3598   2826 98.7    35.359   0.25    9.86 0.581 -0.000  0.3 0.662 0.765  1.13-.03 .11 .00 1.7 .73 .06
    13.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   2875    403   2331   1711 99.9   -12.160  -0.09    9.89 0.800 -0.802  0.3 0.880 1.490  1.14-.00 .14-.00 1.8 .80 .06
     0.100    683    147    651    397 99.1    60.710   0.43    9.84 0.526  0.170  0.3 0.623 0.802  1.55-.03 .11 .00 1.7 .71 .06
     0.200    626    130    599    336 97.8    96.726   0.65    9.84 0.380  0.129  0.3 0.547 0.498  0.93-.14 .06 .00 1.6 .62 .06
     0.300    506    101    490    241 93.9   134.570   0.89    9.80 0.381  0.136  0.3 0.270 0.655  4.88-.04 .03-.00 1.5 .53 .06
     0.400    256     44    253    105 95.3   137.783   0.94    9.82 0.417  0.089  0.3 0.407 0.609  0.66-.00 .04-.00 1.5 .52 .06
     0.500     66      8     66     31100.0    98.584   0.67    9.63 0.511  0.107  0.3 0.000 0.664  2.11-.31 .02 .01 2.3 .60 .06
     0.600     11      1     11      5100.0    61.781   0.50    9.90 0.290  0.128  0.1 0.000 0.251  0.00 .61 .00-.00 1.1 .19 .02
     0.700      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    608     86    578    328 99.7    34.229   0.21    9.82 0.577  0.000  0.3 0.197 0.909  1.24 .23 .11 .00 2.2 .72 .10
     0.050    227     37    216    123 98.7    46.186   0.27    9.79 0.538  0.060  0.2 1.274 0.904  1.82 .79 .09 .00 2.1 .66 .08
     0.100    136     21    134     70100.0    26.793   0.16    9.73 0.650  0.105  0.2 1.490 1.135  0.28 1.6 .10 .01 2.3 .79 .05
     0.150    137     23    128     84100.0    19.152   0.12    9.80 0.700 -0.240  0.2 0.000 1.427  0.00 2.0 .05 .01 2.9 .83 .06
     0.200    249     28    219    149 99.2    29.845   0.23   10.01 0.650 -0.069  0.3 1.221 0.807  0.07 .58 .09-.00 2.0 .79 .00
     0.250    219     27    194    116 98.2    38.456   0.33   10.03 0.588  0.013  0.3 0.580 0.946  0.44-.01 .09 .00 .99 .69 .00
     0.300    243     35    217    136 98.8    35.944   0.30    9.82 0.549 -0.011  0.3 2.692 0.659  1.02 .05 .12 .00 .84 .64 .00
     0.350    275     40    244    166 97.5    41.099   0.34    9.85 0.688  0.050  0.3 0.306 1.137  1.28-.07 .19 .00 .78 .68 .00
     0.400    261     48    219    163 97.3    40.114   0.34    9.86 0.524  0.002  0.3 0.195 0.656  0.86-.05 .13 .00 .87 .70 .00
     0.450    309     38    273    186 97.7    34.386   0.29    9.96 0.556 -0.035  0.3 0.469 0.705  1.38 .04 .07 .00 .86 .74 .00
     0.500    208     21    190    121 99.0    30.964   0.26    9.96 0.693 -0.038  0.3 0.000 0.823  0.00-.05 .17 .00 .78 .75 .00
     0.550    237     34    207    147 99.6    23.775   0.20    9.76 0.720 -0.229  0.3 0.182 0.951  4.15-.03 .18 .00 .83 .73 .00
     0.600    240     29    214    121 97.1    48.284   0.41    9.90 0.541  0.102  0.3 0.414 0.791  2.67 .02 .06 .00 .82 .66 .00
     0.650    234     28    207    127 97.9    38.512   0.31    9.75 0.525  0.071  0.3 2.510 0.582  0.50-.06 .15 .00 .84 .66 .00
     0.700    343     29    310    187 99.1    28.040   0.24    9.96 0.618 -0.064  0.3 0.998 0.843  1.47-.12 .12 .00 1.2 .76 .00
     0.750    193     19    178    113 96.9    59.117   0.43    9.74 0.418  0.018  0.3 0.594 0.366  1.25-.81 .15-.00 2.0 .85 .01
     0.800    134     19    126     71100.0    22.071   0.14    9.92 0.652 -0.016  0.2 0.527 1.085  0.65-2.5 .08-.01 3.2 .83 .03
     0.850    142     16    138     79100.0    26.235   0.16    9.83 0.582  0.064  0.2 0.396 0.752  2.17-1.6 .12-.02 2.3 .71 .07
     0.900    176     24    172     80 98.3    47.467   0.28    9.64 0.551 -0.007  0.2 0.000 0.746  0.00-.85 .07-.01 2.2 .74 .08
     0.950    452     83    431    259 99.1    31.683   0.19    9.89 0.554 -0.008  0.3 0.490 0.826  1.29-.33 .08-.00 2.2 .71 .11
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.809      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.617      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.234      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.469      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    28.938      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    57.875      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   115.750      5      0      5      4100.0   -87.181  -0.66   10.88 0.691 -0.706  0.6 0.000 0.000  0.00-.08 .21 .00 .89 .40 .00
   231.500   2935    337   2304   1691 98.4    35.893   0.30    9.90 0.600  0.001  0.3 0.786 0.758  1.10-.03 .13-.00 .83 .69 .00
   463.000   2083    198   1740   1131 99.1    34.900   0.21    9.80 0.558  0.003  0.2 0.544 0.761  1.04-.03 .08 .00 2.5 .77 .09
   926.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.261      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.522      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.783      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.044      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.306     77     10     71     43 93.5    78.731   0.50    7.32 0.452  0.018  0.4 3.082 0.358  1.92-.23 .40-.00 1.4 .93 .04
     7.567   1074    137    893    630 97.0    57.444   0.39    8.35 0.534  0.031  0.3 0.736 0.583  1.13-.11 .18 .00 1.9 .88 .06
     8.828   1687    213   1419    949 98.8    37.360   0.27    9.48 0.583 -0.006  0.3 0.619 0.748  1.13 .00 .13 .00 1.8 .74 .06
    10.089   1549    174   1307    829 99.4    24.624   0.18   10.69 0.621 -0.020  0.2 0.454 1.067  0.79 .03 .07-.00 1.7 .61 .05
    11.350    636     76    533    375100.0    13.651   0.10   11.70 0.659 -0.100  0.2 0.000 1.141  0.00-.09 .02-.00 1.4 .59 .05
    12.611
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    722     89    666    387 99.9     7.430   0.05    9.83 0.640 -0.574  0.2 0.428 1.025  1.98-2.7 .05 .05 3.0 .86 .10
    -1.380     81     25     80     53100.0     6.276   0.04   10.06 0.663 -1.409  0.3 0.527 0.919  0.65-1.3 .16 .01 1.3 .69 .03
    -1.260     97     21     97     52 99.0    24.389   0.18    9.94 0.600 -0.036  0.3 0.000 1.049  0.00-1.2 .10 .02 1.2 .67 .04
    -1.140    125     28    124     63 98.4    42.361   0.30    9.78 0.431 -0.105  0.2 0.000 0.601  1.39-1.1 .10 .01 1.1 .66 .04
    -1.020    129     24    127     75 96.9    58.082   0.41    9.68 0.591 -0.071  0.3 0.000 0.759  1.28-.96 .10 .01 .96 .73 .02
    -0.900    147     30    147     77 96.6    59.220   0.42    9.64 0.573  0.046  0.3 0.000 0.860  9.34-.85 .24 .01 .85 .72 .02
    -0.780    200     42    199    111 95.5    57.124   0.40    9.72 0.402  0.039  0.2 1.081 0.470  1.92-.72 .18 .01 .72 .71 .03
    -0.660    183     44    177    107 94.5    70.685   0.49    9.68 0.480  0.053  0.3 0.214 0.497  1.80-.60 .13 .00 .60 .64 .02
    -0.540    197     40    194    113 95.9    80.039   0.58    9.81 0.536  0.082  0.3 1.496 0.673  0.72-.48 .12 .00 .48 .64 .02
    -0.420    206     45    205    115 96.6    82.767   0.59    9.76 0.389  0.030  0.3 0.000 0.425  0.00-.36 .17 .00 .36 .66 .02
    -0.300    205     52    202    112 97.1    63.101   0.47    9.97 0.509  0.096  0.3 2.602 0.860  1.24-.24 .17 .00 .25 .65 .03
    -0.180    219     42    213    119 97.7    58.280   0.43    9.82 0.571  0.030  0.3 1.090 0.696  0.96-.12 .24 .00 .12 .68 .01
    -0.060    217     48    212    127 99.1    61.347   0.46    9.87 0.501  0.065  0.3 1.109 0.653  0.87 .00 .16 .00 .04 .66 .02
     0.060    214     47    207    141 99.1    40.047   0.29    9.82 0.634  0.099  0.3 0.000 0.898  0.00 .12 .13-.00 .12 .67 .02
     0.180    209     43    206    122 98.1    58.469   0.42    9.85 0.535  0.099  0.3 0.240 0.752  2.35 .24 .19-.00 .24 .65 .02
     0.300    183     45    181    105100.0    39.927   0.30    9.90 0.743 -0.059  0.3 0.961 1.158  0.80 .36 .13-.00 .37 .63 .03
     0.420    171     35    169     97100.0    34.916   0.27   10.05 0.653  0.112  0.3 0.365 1.005  0.08 .48 .10-.00 .48 .63 .02
     0.540    182     50    182     92100.0    33.100   0.25   10.01 0.612  0.118  0.2 0.085 1.053  1.44 .60 .09-.00 .60 .60 .02
     0.660    161     32    160     98100.0    10.400   0.08   10.04 0.708 -0.854  0.2 1.118 0.915  1.28 .72-.00-.00 .73 .68 .02
     0.780    130     21    128     75100.0    17.724   0.14   10.03 0.677  0.133  0.3 0.000 0.946  0.00 .84 .15-.01 .85 .62 .03
     0.900     88     18     88     48100.0    15.037   0.11    9.71 0.740 -0.422  0.3 0.000 1.280  0.75 .96 .12-.01 .96 .69 .04
     1.020    103     20    103     54100.0    13.146   0.10    9.91 0.762 -0.001  0.3 0.000 1.128  4.41 1.1 .13-.01 1.1 .67 .04
     1.140     80     20     80     47100.0    20.587   0.16    9.91 0.606  0.022  0.3 0.757 0.828  0.19 1.2-.05-.02 1.2 .63 .05
     1.260     83     21     82     43100.0 -0.853451  -0.01   10.03 0.704 -8.856  0.3 0.426 1.288  0.99 1.3-.01-.02 1.3 .63 .04
     1.380    691     96    644    393100.0     4.868   0.03    9.89 0.678 -0.473  0.2 0.601 1.299  0.69 2.8 .05-.06 3.1 .87 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    107     26    107     62 99.1   -12.505  -0.11    9.19 0.648 -1.162  0.3 0.904 0.922  1.32 .44-1.8-.00 4.3 1.8 .11
    -1.380     33      8     33     18100.0    -7.232  -0.07   10.00 0.380 -0.677  0.2 0.000 0.572  0.99-.88-1.3 .03 2.6 1.3 .09
    -1.260     61     17     61     36100.0    -8.181  -0.06    9.93 0.475 -1.197  0.3 1.530 0.683  1.81-.15-1.2 .01 1.8 1.2 .07
    -1.140     64     20     64     38100.0     4.799   0.04    9.81 0.643 -0.156  0.3 0.904 1.283  1.28 .00-1.1-.01 2.1 1.1 .08
    -1.020     92     31     90     54 97.8    21.951   0.18    9.89 0.464 -0.120  0.2 0.130 0.687  7.08 .04-.96 .00 1.9 .96 .06
    -0.900    146     45    143     78 97.9    42.697   0.32    9.85 0.441  0.045  0.3 0.000 0.616  0.94-.11-.84-.00 1.8 .84 .06
    -0.780    170     49    169     97 99.4    27.795   0.20    9.84 0.426 -0.019  0.2 0.335 0.670  0.85 .02-.72 .00 1.7 .72 .06
    -0.660    170     49    170     94 98.8    24.217   0.17   10.03 0.512  0.018  0.2 0.283 0.788  2.59 .11-.60-.00 1.7 .60 .06
    -0.540    237     61    233    124 99.2    36.507   0.27   10.01 0.440  0.089  0.2 0.000 0.603  0.86-.09-.48 .00 1.6 .48 .05
    -0.420    286     73    282    160 97.9    47.256   0.34    9.96 0.488  0.019  0.2 0.247 0.784  3.81-.03-.36 .00 1.6 .36 .04
    -0.300    305     81    303    167 98.7    40.737   0.29    9.96 0.640  0.034  0.3 5.726 0.907  1.18 .04-.24-.00 1.4 .24 .05
    -0.180    318     51    313    154 99.4    45.826   0.33   10.15 0.625 -0.035  0.2 0.312 0.988  0.37-.13-.12 .01 1.5 .12 .05
    -0.060    371     66    366    197 98.7    41.452   0.30   10.05 0.617  0.036  0.3 9.711 0.971  0.58 .04 .00-.00 1.4 .04 .05
     0.060    336     55    330    169 98.2    43.009   0.29    9.98 0.633 -0.053  0.3 0.490 0.892  1.80-.04 .12 .00 1.4 .13 .05
     0.180    371     60    363    207 99.5    42.100   0.29    9.98 0.653  0.047  0.2 0.432 1.052  2.93-.03 .24 .00 1.3 .24 .05
     0.300    303     48    299    150 98.3    47.275   0.33    9.96 0.631  0.111  0.3 0.000 1.180  4.00-.02 .36-.00 1.4 .36 .05
     0.420    325     53    318    178 98.8    38.756   0.28    9.78 0.562  0.024  0.2 0.921 0.671  0.59 .05 .48-.00 1.5 .48 .05
     0.540    250     43    244    150 98.8    42.348   0.31    9.90 0.546  0.058  0.3 0.472 0.552  0.67 .02 .59-.01 1.5 .59 .05
     0.660    232     31    230    124 98.7    37.325   0.26    9.83 0.669  0.056  0.3 0.000 0.980  0.00-.06 .72-.00 1.4 .72 .05
     0.780    201     52    199    141 97.0    38.440   0.27    9.84 0.500 -0.107  0.3 0.606 0.576  1.04-.26 .84 .00 1.6 .84 .06
     0.900    182     33    180    117 97.8    30.859   0.22    9.59 0.634 -0.119  0.3 2.709 0.842  1.07 .03 .96-.00 1.4 .96 .05
     1.020    115     19    114     72 98.3    23.997   0.17    9.65 0.691  0.326  0.3 0.078 1.411  4.41-.15 1.1 .00 1.8 1.1 .05
     1.140    104     20    101     74100.0    24.648   0.17    9.28 0.657 -0.234  0.3 0.775 0.913  0.55-.16 1.2 .00 1.4 1.2 .04
     1.260     65     14     64     45 98.5    23.343   0.17    9.37 0.646  0.062  0.3 5.708 1.111  0.74 .01 1.3-.00 1.9 1.3 .08
     1.380    179     30    175    120 98.9     7.364   0.06    9.10 0.743 -0.766  0.3 0.453 1.353  1.11-.11 1.7 .00 3.1 1.8 .08
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_13.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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!Region 4: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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000048!&92/!3 (2/!1&) 4( 0   0020"1!"72%(#) 2%(1"' "! 0    0& *"-_(B~kzw#/2)80(0 0~hbusp6/+"85"'.16G{wev %6F00 #C~tdqpum}ov6;8$!12Iwibqa|jrovi|}Wp9/$ :0(&Cqbp}|89Cu}
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6I?yiw}a4%167"?13 Lz}tbn9=4(. %0  0Plgu"*2C8#)3Qjvep~bwei~_ =0006 C|{y~wkAecqowEm6=8!. 0Be}e2'Dbc1+%&)+2 Uwxy}um -008( 3/%5"-&84G\2=919Ru]io~ !" W|qpx{n8'*/'92"8 &0  
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0000033!14"23"90"20!1003 0   00050!10"40'10850600300   00  0  5 11 14 11  5  0 0000
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0000030"10$20*90$20"1003 0   00000000300600800600301Ru]io~ !. Rqcvpom74/'64  4  0  
0  0.000  0.0 0.000 0.000  0.00 1.2-.39 .01 1.7 .58 .08
     0.150     27      0     27      0 96.3    65.022   0.46    9.93 0.000  0.000  0.0 0.000 0.000  0.00 1.5-.37 .00 1.9 .64 .00
     0.200     40      0     40      0 92.5    90.198   0.69    9.87 0.000  0.000  0.0 0.000 0.000  0.00 .16-.48 .00 1.3 .80 .00
     0.250     49      0     49      0100.0    61.260   0.50    9.48 0.000  0.000  0.0 0.000 0.000  0.00 .11-.45 .00 .78 .76 .00
     0.300     46      0     46      0 95.7    99.910   0.84    9.80 0.000  0.000  0.0 0.000 0.000  0.00 .07-.45 .00 .72 .61 .00
     0.350     40      0     40      0 95.0    97.260   0.80   10.21 0.000  0.000  0.0 0.000 0.000  0.00-.12-.32 .00 .66 .61 .00
     0.400     60      0     60      0 96.7    86.949   0.77    9.84 0.000  0.000  0.0 0.000 0.000  0.00-.13-.29 .00 .71 .64 .00
     0.450     53      0     53      0 98.1    73.448   0.65   10.09 0.000  0.000  0.0 0.000 0.000  0.00 .09-.37 .00 .79 .64 .00
     0.500     40      0     40      0100.0    89.872   0.79    9.93 0.000  0.000  0.0 0.000 0.000  0.00-.24-.20 .00 .61 .54 .00
     0.550     43      0     43      0100.0    50.902   0.45   10.18 0.000  0.000  0.0 0.000 0.000  0.00 .23-.15 .00 .84 .61 .00
     0.600     42      0     42      0 95.2    99.802   0.83    9.99 0.000  0.000  0.0 0.000 0.000  0.00-.21-.26 .00 .55 .55 .00
     0.650     36      0     36      0 97.2   112.006   0.94    9.82 0.000  0.000  0.0 0.000 0.000  0.00-.12-.40 .00 .55 .68 .00
     0.700     42      0     42      0 95.2    88.639   0.78   10.29 0.000  0.000  0.0 0.000 0.000  0.00 .17-.27 .00 .92 .70 .00
     0.750     37      0     37      0100.0    56.663   0.47    9.97 0.000  0.000  0.0 0.000 0.000  0.00-.66-.16 .00 1.7 .68 .00
     0.800     25      0     25      0 92.0    85.087   0.55   10.04 0.000  0.000  0.0 0.000 0.000  0.00-1.1-.31 .00 1.5 .61 .00
     0.850     18      0     18      0 94.4   138.775   0.80    9.66 0.000  0.000  0.0 0.000 0.000  0.00-.76-.31-.02 1.2 .49 .04
     0.900     46      0     46      0 91.3   108.595   0.68    9.92 0.000  0.000  0.0 0.000 0.000  0.00-.31-.23-.00 1.7 .64 .07
     0.950     72      0     72      0 95.8    93.664   0.61   10.01 0.000  0.000  0.0 0.000 0.000  0.00-.03-.21-.01 1.8 .63 .11
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.895      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.789      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.578      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.156      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    30.312      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    60.625      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   121.250      4      0      4      0100.0   -41.222  -0.31   10.49 0.000  0.000  0.0 0.000 0.000  0.00-.16 .00 .00 .51 .70 .00
   242.500    519      0    519      0 97.5    81.890   0.69    9.96 0.000  0.000  0.0 0.000 0.000  0.00-.02-.33 .00 .74 .65 .00
   485.000    343      0    343      0 95.6    87.369   0.56    9.93 0.000  0.000  0.0 0.000 0.000  0.00 .25-.23-.01 2.0 .64 .09
   970.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.243      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.487      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.730      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.974      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.217     13      0     13      0 76.9   221.736   1.41    7.28 0.000  0.000  0.0 0.000 0.000  0.00-.57-.69-.00 .77 .87 .01
     7.460    142      0    142      0 93.7   104.193   0.74    8.29 0.000  0.000  0.0 0.000 0.000  0.00 .05-.37-.01 1.4 .76 .05
     8.704    284      0    284      0 97.5    83.491   0.63    9.35 0.000  0.000  0.0 0.000 0.000  0.00 .04-.28 .00 1.4 .68 .06
     9.947    266      0    266      0 98.1    71.064   0.55   10.55 0.000  0.000  0.0 0.000 0.000  0.00 .23-.28-.01 1.4 .60 .05
    11.191    161      0    161      0 97.5    74.603   0.57   11.70 0.000  0.000  0.0 0.000 0.000  0.00 .00-.21 .00 1.2 .51 .05
    12.434
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     78      0     78      0 98.7    41.949   0.30    9.97 0.000  0.000  0.0 0.000 0.000  0.00-2.4-.11 .07 2.7 .75 .11
    -1.380     13      0     13      0100.0    49.143   0.33    9.46 0.000  0.000  0.0 0.000 0.000  0.00-1.3-.21 .04 1.3 .55 .07
    -1.260     13      0     13      0100.0    33.578   0.27    9.91 0.000  0.000  0.0 0.000 0.000  0.00-1.2-.17 .01 1.2 .57 .03
    -1.140     13      0     13      0100.0    68.185   0.50    9.33 0.000  0.000  0.0 0.000 0.000  0.00-1.1-.80-.01 1.1 1.1 .02
    -1.020     19      0     19      0 94.7   104.456   0.73    9.47 0.000  0.000  0.0 0.000 0.000  0.00-.96-.39 .00 .96 .72 .02
    -0.900     36      0     36      0 97.2    97.606   0.69    9.96 0.000  0.000  0.0 0.000 0.000  0.00-.85-.33 .00 .85 .73 .03
    -0.780     35      0     35      0 94.3    88.663   0.63   10.01 0.000  0.000  0.0 0.000 0.000  0.00-.71-.37 .01 .71 .59 .03
    -0.660     33      0     33      0 93.9    90.459   0.71   10.13 0.000  0.000  0.0 0.000 0.000  0.00-.60-.23 .00 .60 .59 .01
    -0.540     40      0     40      0 85.0   166.089   1.14    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.47-.38 .01 .47 .61 .04
    -0.420     36      0     36      0 97.2   100.880   0.77    9.42 0.000  0.000  0.0 0.000 0.000  0.00-.35-.41-.00 .36 .68 .01
    -0.300     45      0     45      0 95.6   114.251   0.87    9.82 0.000  0.000  0.0 0.000 0.000  0.00-.25-.50-.00 .25 .66 .01
    -0.180     48      0     48      0 95.8   107.965   0.86    9.99 0.000  0.000  0.0 0.000 0.000  0.00-.13-.26 .01 .13 .55 .03
    -0.060     47      0     47      0 93.6   141.024   1.07   10.17 0.000  0.000  0.0 0.000 0.000  0.00-.01-.38-.00 .04 .56 .01
     0.060     45      0     45      0 93.3   121.307   0.90    9.92 0.000  0.000  0.0 0.000 0.000  0.00 .13-.46-.00 .13 .68 .02
     0.180     39      0     39      0100.0    95.275   0.71    9.98 0.000  0.000  0.0 0.000 0.000  0.00 .24-.28-.00 .25 .63 .02
     0.300     34      0     34      0 97.1   100.354   0.76   10.25 0.000  0.000  0.0 0.000 0.000  0.00 .36-.51-.00 .36 .61 .02
     0.420     29      0     29      0100.0    80.468   0.66    9.82 0.000  0.000  0.0 0.000 0.000  0.00 .49-.22-.01 .49 .51 .03
     0.540     37      0     37      0100.0    62.617   0.51   10.12 0.000  0.000  0.0 0.000 0.000  0.00 .59-.15-.01 .60 .52 .03
     0.660     20      0     20      0100.0    67.995   0.48   10.05 0.000  0.000  0.0 0.000 0.000  0.00 .73-.11 .00 .74 .52 .04
     0.780     31      0     31      0 93.5   103.571   0.78   10.11 0.000  0.000  0.0 0.000 0.000  0.00 .84-.12-.01 .84 .47 .03
     0.900     24      0     24      0 95.8    55.494   0.47   10.31 0.000  0.000  0.0 0.000 0.000  0.00 .96-.35-.01 .96 .55 .03
     1.020     18      0     18      0100.0    66.356   0.46   10.22 0.000  0.000  0.0 0.000 0.000  0.00 1.1-.17-.02 1.1 .62 .05
     1.140     16      0     16      0100.0    36.388   0.30   10.27 0.000  0.000  0.0 0.000 0.000  0.00 1.2-.06-.01 1.2 .67 .04
     1.260     10      0     10      0100.0     3.590   0.03    9.95 0.000  0.000  0.0 0.000 0.000  0.00 1.3-.27-.03 1.3 .55 .06
     1.380    107      0    107      0100.0    30.880   0.23    9.90 0.000  0.000  0.0 0.000 0.000  0.00 2.5-.19-.07 2.7 .73 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     22      0     22      0100.0    45.471   0.35    8.95 0.000  0.000  0.0 0.000 0.000  0.00 .66-1.7-.02 2.5 1.7 .11
    -1.380     11      0     11      0100.0    23.093   0.20    9.26 0.000  0.000  0.0 0.000 0.000  0.00 .40-1.3 .02 1.6 1.3 .06
    -1.260     18      0     18      0100.0    23.013   0.18    9.37 0.000  0.000  0.0 0.000 0.000  0.00-.00-1.2 .01 1.2 1.2 .09
    -1.140     25      0     25      0100.0    69.077   0.52    9.43 0.000  0.000  0.0 0.000 0.000  0.00-.33-1.1-.00 1.2 1.1 .03
    -1.020     38      0     38      0 86.8   150.845   1.00    9.74 0.000  0.000  0.0 0.000 0.000  0.00-.01-.95-.00 .92 .95 .04
    -0.900     56      0     56      0 94.6   103.583   0.72    9.86 0.000  0.000  0.0 0.000 0.000  0.00 .06-.83-.00 .97 .83 .03
    -0.780     51      0     51      0 98.0   101.096   0.78    9.80 0.000  0.000  0.0 0.000 0.000  0.00-.09-.73-.01 1.1 .73 .05
    -0.660     58      0     58      0 87.9   147.008   1.04   10.12 0.000  0.000  0.0 0.000 0.000  0.00 .07-.59-.00 1.2 .59 .05
    -0.540     74      0     74      0 95.9    94.163   0.73    9.94 0.000  0.000  0.0 0.000 0.000  0.00 .01-.48-.00 .96 .48 .04
    -0.420     94      0     94      0 97.9   105.981   0.73   10.02 0.000  0.000  0.0 0.000 0.000  0.00-.01-.36-.00 1.1 .36 .04
    -0.300     70      0     70      0 97.1    99.061   0.71   10.25 0.000  0.000  0.0 0.000 0.000  0.00 .15-.24-.01 1.2 .24 .06
    -0.180     62      0     62      0 96.8   110.071   0.84    9.81 0.000  0.000  0.0 0.000 0.000  0.00 .26-.12-.01 .95 .13 .04
    -0.060     62      0     62      0100.0    55.004   0.42   10.27 0.000  0.000  0.0 0.000 0.000  0.00 .16 .00-.00 1.2 .03 .05
     0.060     53      0     53      0100.0    68.813   0.54   10.28 0.000  0.000  0.0 0.000 0.000  0.00 .47 .13-.01 1.4 .13 .05
     0.180     49      0     49      0 95.9    59.004   0.49   10.12 0.000  0.000  0.0 0.000 0.000  0.00 .36 .25-.01 1.7 .25 .07
     0.300     32      0     32      0 96.9    58.028   0.48   10.16 0.000  0.000  0.0 0.000 0.000  0.00-.07 .36-.00 1.3 .37 .04
     0.420     25      0     25      0100.0    14.667   0.11   10.12 0.000  0.000  0.0 0.000 0.000  0.00-.56 .48 .03 1.7 .48 .09
     0.540     19      0     19      0100.0    41.473   0.30    9.57 0.000  0.000  0.0 0.000 0.000  0.00-.17 .59 .00 1.5 .59 .06
     0.660     20      0     20      0100.0     7.606   0.06    9.90 0.000  0.000  0.0 0.000 0.000  0.00 .29 .72-.00 2.4 .72 .08
     0.780      9      0      9      0100.0     8.797   0.07   10.11 0.000  0.000  0.0 0.000 0.000  0.00 .98 .84-.02 2.3 .84 .09
     0.900      4      0      4      0100.0   -25.711  -0.27    9.88 0.000  0.000  0.0 0.000 0.000  0.00 .14 .98 .00 .57 .98 .00
     1.020      2      0      2      0100.0    19.472   0.23    9.95 0.000  0.000  0.0 0.000 0.000  0.00 1.5 1.1 .00 1.6 1.1 .00
     1.140      5      0      5      0100.0    11.184   0.11    9.38 0.000  0.000  0.0 0.000 0.000  0.00-1.4 1.2-.03 4.7 1.2 .13
     1.260      3      0      3      0100.0   -18.139  -0.14    9.91 0.000  0.000  0.0 0.000 0.000  0.00-1.6 1.3 .00 3.1 1.3 .00
     1.380      4      0      4      0100.0   -31.213  -0.35    9.23 0.000  0.000  0.0 0.000 0.000  0.00-1.9 1.7 .05 3.8 1.7 .09
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.300     10      0     10      0100.0    36.504   0.26    9.95 0.000  0.000  0.0 0.000 0.000  0.00 3.6-.32-.22 3.7 1.1 .22
    -0.180     65      0     65      0 96.9   100.040   0.60    9.91 0.000  0.000  0.0 0.000 0.000  0.00 1.9-.16-.11 2.4 .57 .12
    -0.060    737      0    737      0 96.9    82.717   0.64    9.94 0.000  0.000  0.0 0.000 0.000  0.00 .02-.31-.00 1.1 .64 .01
     0.060     42      0     42      0 92.9   112.155   0.68   10.15 0.000  0.000  0.0 0.000 0.000  0.00-1.6-.14 .12 2.1 .62 .12
     0.180     11      0     11      0100.0   -17.688  -0.12   10.27 0.000  0.000  0.0 0.000 0.000  0.00-3.2-.01 .20 3.6 .78 .20
     0.300      1      0      1      0100.0   -42.389  -0.55    9.05 0.000  0.000  0.0 0.000 0.000  0.00-2.7-1.7 .38 2.7 1.7 .38
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_14.raw)
   #Equivs      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    866      0    866      0 96.8    83.492   0.63    9.95 0.000  0.000  0.0 0.000 0.000  0.00 .08-.29-.00 1.4 .65 .06
     1.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0. 0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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    7_0008   81  0.03 -0.25  0.00  1.63  0.71  0.05 74.762   1   96  0.26    9 0.44 0.31 1.01 1.000
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_15_0001.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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 03 Fz|t13@wv29V``L11VraI 0UrrJ0 RycI40@tcJ70@tcK4Yn{bm03Siw%<1s1=C}p>2/Fgj IQiz#YSiP JCiz00Bvqm0 8"0I 0!! 009&0 0> 7 0 .&' 8 ?!  8!.!  0 .&'   06 70-644  (1 & 96  0.24
 009  >4$00>#10!. ! !>0  
00 2!O00"" 009(0 ">1$0  >3&0- >0001M>Sywcf0=0  0& $9ZhjpcB!_ewgfc03*.#>&:-oj A#*-	Samerhleuiy0-  0 [ldis@r~v{|eGj1-01>.##_uyy~ &Af} -.&:   Cq}i~|c6?00>0"#6 4#;0.TO =011Bk`}oj.$8 B{sey~` !=3 23_0024   97  0.03  0.48 =0>00  1.33  0.71  0.05 48.0"0   0 5)&10!:!(10 $   >4$00.# 1.01 1.300  #24_0025  10& =0.07  0.40  0.01  1.59  .''  #>!'0&*> -!224!13 *) 0 .2$   9 3.42 0&31&1.31 1.000
0 025_0026  102 -4.01  0.44
- >0140 :& 95#(&#(4!+!54&5> 860 0  140 (0?32 ( 14 0.44 0.#101.01 1.030
$  :6_6024  13000.#"11#<7(2&"<0(1##.6) 0#.8# 0.06#26(160  $0 #100  0.2# 0 10 0.44$0.;110.09 1*000  0027O 0',1 4(091290?9 1:5!4-0>
0  1.55 #0.<2 #0.04 20.0290 00  100  3.24  ( 9&0.74 03!01. ! !=02!
&2 3!_2"281 !#5 0
.13  0.34 -0.00  1.52  0.7& 00.06 19.129#  4  200  0.300 1 00>$40%.2  0:0011>%0   09_0030  102  0.25  0.32 -0>0!  1.81  0ion of prof. volume used:        88.89
Z fraction of prof. volume used:        88.89
 
Max profile % on X boundaries:           0.00
Max profile % on Y boundaries:           0.00
Max profile % on Z boundaries:           0.00
 
Average spot shape correlation:         0.068
RMS spot shape correlation:             0.253
 
Profile Shape Correlation
I/sigma from     to    Correl       +/-       #
        0.00   1.00      0.24     0.241    3277
        1.00   2.00      0.31     0.120     417
        2.00   4.00      0.35     0.099      65
        4.00   8.00      0.40     0.047       9
        8.00  16.00      0.00     0.000       0
       16.00  32.00      0.00     0.000       0
       32.00  64.00      0.00     0.000       0
       64.00 128.00      0.00     0.000       0
      128.00 256.00      0.00     0.000       0
 
Write-behind Cache Diagnostics
Entered in Write-Behind Cache:              0
Removed from WBC:                           0
Partial overlaps from WBC:                  0
Exceeding queue size from WBC:              0
With > 12 components from WBC:              0
 
Total integration time (sec):          3.682
Total time in cell LS (sec):           0.002
Per-frame integration time (sec):      0.086
 
Integration completed normally ======================== 05/22/12 10:38:58
 
Applying profile correlation filter from /home/ithil/data/char419/work/unsorted.raw to /home/ithil/data/char419/work/corrfilt.raw
Scale of    1.504 will be applied to LS-fit intensities
 
Number of reflections read:                   3768
Number of LS-fit intensities scaled:          3768
Number rejected due to poor spot shape:          1
Number unwritable (I, sigma too large):          0
Number written:                               3767
 
Sorting Reflection File ============================== 05/22/12 10:38:58
 
Integration of char419
 
Sorting input files:
              1 /home/ithil/data/char419/work/corrfilt.raw
 
Sorting to output file /home/ithil/data/char419/work/cu_char419_15.raw
 
Component 1 in sample 1 (1 in file):
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
Beginning sort with 128MB memory requested...
      3767 reflections read from file   1--/home/ithil/data/char419/work/corrfilt.raw
      3767 reflections written to /home/ithil/data/char419/work/cu_char419_15.raw
 
Computing Reflection File Statistics ========== 05/22/12 10:38:59
Integration of char419
 
...................................................................................
Statistics for reflections in cu_char419_15.raw
File is in BrukerAXS area detector ASCII format
 
Number of lines read (incl comments) =             3767
Number of reflection records read =                3767
Number of records with bad component number =         0
Number of records with bad status value =             0
Number of spots used =                             3767
Number of spot components used =                   3767
 
...................................................................................
Integration of char419
Statistics for sample 1 of 1 in cu_char419_15.raw
 
Lattice:  P (Primitive)
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents.
Components in the sample map (* marks current component)
   Component   Wanted        A        B        C    Alpha     Beta    Gamma   PointGp         Constraints
     1.1(1)*        Y   11.517   11.517   53.448   90.000   90.000  120.000     -3(H)           Hexagonal
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
     Det X      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    104     10    101     13100.0    16.162   0.24    8.67 0.902  0.032  0.3 0.000 1.739  0.00 .48 .01 .01 3.2 .96 .09
    32.000    143     16    138     21100.0    20.026   0.27    9.17 0.831  0.009  0.3 0.000 1.592  0.00 .14-.08-.00 2.6 .79 .07
    64.000    195     23    190     28 99.0    23.329   0.28    9.59 0.858  0.016  0.3 0.000 1.826  0.00 .35 .03-.01 2.3 .74 .07
    96.000    165     21    161     25100.0    19.428   0.21    9.86 0.669 -0.020  0.3 0.000 1.200  0.00-.07 .13 .00 2.0 .67 .06
   128.000    215     24    207     32100.0    20.707   0.20   10.26 0.606 -0.020  0.2 0.000 1.279  0.00-.01 .06 .01 2.0 .68 .06
   160.000    255     17    250     23 99.6    27.583   0.25   10.52 0.742  0.015  0.3 0.000 1.415  0.00 .06 .05 .00 1.7 .69 .06
   192.000    291     18    283     28 99.3    37.358   0.30   10.87 0.725  0.004  0.3 0.000 1.344  0.00-.04 .05-.00 1.7 .70 .06
   224.000    273     15    265     28 99.3    33.397   0.26   10.54 0.655  0.003  0.3 0.000 1.156  0.00-.02 .11 .00 1.4 .70 .05
   256.000    285     10    274     34 99.3    53.687   0.38   10.56 0.430 -0.008  0.2 0.000 0.620  0.00 .03 .06 .00 1.3 .66 .06
   288.000    317      0    310     24 98.7    65.885   0.42   10.45 0.445  0.002  0.1 0.000 0.000  0.00-.06 .08-.00 1.2 .64 .05
   320.000    300      0    282     42 98.3    60.238   0.38    9.94 0.586 -0.003  0.2 0.000 0.000  0.00 .04 .10-.00 1.2 .66 .05
   352.000    285      2    263     48 98.2    75.676   0.46    9.45 0.698  0.008  0.3 0.000 1.159  0.00-.13 .17 .00 1.3 .66 .05
   384.000    293      4    266     59 98.3    81.897   0.48    9.21 0.694 -0.003  0.3 0.000 1.347  0.00-.09 .17-.00 1.1 .68 .04
   416.000    231      1    207     53 96.5   100.711   0.58    8.85 0.548  0.007  0.4 0.000 0.787  0.00-.01 .28-.00 1.1 .73 .04
   448.000    234      0    206     59 91.5   136.053   0.76    8.37 0.716 -0.006  0.4 0.000 0.000  0.00-.13 .28-.00 1.0 .80 .04
   480.000    181      0    160     43 90.6   154.775   0.85    8.03 0.622 -0.002  0.4 0.000 0.000  0.00-.24 .24 .00 1.0 .73 .04
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
     Det Y      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    124     15    124     18 96.8    77.075   0.59    8.11 0.568  0.020  0.3 0.000 0.996  0.00 .12 .14-.00 1.9 .96 .06
    32.000    189     30    187     36 97.4    64.293   0.49    8.57 0.881  0.008  0.4 0.000 1.464  0.00-.26 .11 .00 1.6 .85 .06
    64.000    231     26    231     29 96.1    65.952   0.49    8.99 0.722 -0.006  0.3 0.000 1.235  0.00-.05 .11-.00 1.5 .72 .06
    96.000    244     11    244     18 96.3    61.887   0.46    9.41 1.506 -0.058  0.5 0.000 1.095  0.00 .06 .17 .00 1.7 .74 .05
   128.000    249     17    249     27 98.4    54.616   0.38    9.97 0.908 -0.046  0.3 0.000 1.032  0.00-.04 .18 .00 1.7 .73 .06
   160.000    263     16    263     25 98.1    63.114   0.46   10.29 0.922 -0.025  0.3 0.000 1.650  0.00 .00 .13-.00 1.3 .64 .05
   192.000    292      5    292     16 97.9    59.765   0.42   10.50 0.956 -0.051  0.3 0.000 0.959  0.00-.02 .17 .00 1.3 .60 .04
   224.000    282      3    282     15 98.6    64.455   0.45   10.69 0.990 -0.025  0.3 0.000 4.885  0.00 .10 .13-.00 1.5 .56 .05
   256.000    303     18    303     37 98.7    54.705   0.39   10.63 0.673 -0.042  0.3 0.000 1.550  0.00-.07 .12 .00 1.3 .59 .04
   288.000    271      2    266     27 98.2    55.655   0.39   10.55 0.749  0.004  0.4 0.000 1.271  0.00-.02 .11-.00 1.6 .60 .06
   320.000    279     12    275     44 98.2    56.461   0.41   10.33 0.622  0.007  0.3 0.000 1.771  0.00-.15 .08 .00 1.8 .63 .06
   352.000    259     10    254     51 99.6    56.563   0.40    9.93 0.484  0.001  0.2 0.000 1.314  0.00 .09 .09-.00 1.6 .63 .06
   384.000    225      2    216     37 97.8    59.441   0.43    9.51 0.424  0.080  0.2 0.000 0.210  0.00-.10 .11 .00 1.6 .71 .06
   416.000    229     13    221     62 99.1    61.507   0.46    9.00 0.551  0.078  0.3 0.000 1.823  0.00 .08 .08 .00 1.7 .80 .05
   448.000    194     21    187     60 99.0    51.805   0.40    8.72 0.575  0.010  0.2 0.000 1.829  0.00-.12 .10 .00 1.8 .83 .07
   480.000    133     11    124     58 97.7    69.691   0.52    8.23 0.552  0.142  0.3 0.000 1.758  0.00 .53-.09-.02 1.9 .98 .07
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
     Det R      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     38      0     38      0100.0    46.482   0.32   11.75 0.000  0.000  0.0 0.000 0.000  0.00 .21 .18 .01 .93 .63 .04
    30.000    210      4    210      8 98.6    47.866   0.34   11.63 0.847 -0.009  0.2 0.000 1.237  0.00-.04 .08-.00 1.3 .55 .05
    60.000    295      2    295      9 99.0    49.218   0.34   11.30 0.750 -0.014  0.2 0.000 2.815  0.00-.10 .12 .00 1.2 .56 .05
    90.000    410     18    410     32 98.8    47.962   0.34   10.92 0.749 -0.017  0.3 0.000 1.290  0.00-.03 .10-.00 1.3 .59 .05
   120.000    431     18    426     42 99.3    50.376   0.36   10.46 0.699 -0.023  0.2 0.000 0.806  0.00-.05 .12 .00 1.5 .65 .06
   150.000    538     14    527     62 99.4    53.989   0.38    9.93 0.676 -0.021  0.2 0.000 1.895  0.00-.05 .10-.00 1.5 .65 .05
   180.000    544     30    533     91 98.0    59.122   0.44    9.47 0.654 -0.007  0.3 0.000 1.038  0.00 .07 .14-.00 1.6 .69 .06
   210.000    583     56    557    142 98.1    61.087   0.46    8.92 0.590  0.014  0.3 0.000 1.346  0.00 .09 .08-.00 1.9 .77 .06
   240.000    413     30    392    103 96.6    73.617   0.55    8.45 0.650  0.024  0.4 0.000 1.422  0.00-.06 .17-.00 1.7 .80 .06
   270.000    305     17    288     71 93.4   104.161   0.76    7.85 0.632  0.023  0.4 0.000 1.465  0.00 .02 .12-.00 2.0 .96 .06
   300.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
   Quadrnt      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    827     69    816     88 99.3    30.611   0.29   10.13 0.778 -0.023  0.3 0.000 1.681  0.00 .07 .02-.00 2.1 .72 .07
     2.000   1066     15    960    288 98.0    78.352   0.48    9.51 0.537  0.044  0.3 0.000 1.292  0.00-.06 .13 .00 1.2 .69 .05
     3.000    814     87    791    110 99.9    22.675   0.22   10.15 0.677  0.040  0.3 0.000 1.410  0.00 .08 .08 .00 1.9 .73 .06
     4.000   1060     15   1060     74 95.8    93.786   0.57    9.44 1.095 -0.038  0.4 0.000 0.925  0.00-.08 .20-.00 1.2 .69 .05
     5.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
    Region      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    579      6    579     17 99.0    47.181   0.33   11.44 0.795 -0.011  0.2 0.000 1.459  0.00-.06 .10 .00 1.3 .56 .05
     2.000    398      0    386     67 95.7   108.324   0.60    9.39 0.767 -0.028  0.4 0.000 0.000  0.00-.13 .22-.00 1.1 .65 .05
     3.000    524      7    471    186 98.1    84.489   0.51    9.00 0.496  0.080  0.3 0.000 2.224  0.00-.04 .14-.00 1.2 .72 .05
     4.000    357     24    340     79 98.9    50.007   0.37    9.72 0.561  0.002  0.2 0.000 1.328  0.00 .12 .02-.00 1.4 .75 .07
     5.000    393     36    393     36 99.7    29.845   0.31    9.71 0.797 -0.022  0.3 0.000 1.594  0.00 .07 .01-.00 2.4 .77 .08
     6.000    261     24    258     27 99.2    20.378   0.24   10.24 0.846 -0.036  0.3 0.000 1.694  0.00 .15 .06-.00 2.2 .56 .06
     7.000    393     59    379     73100.0    17.488   0.19    9.77 0.654  0.081  0.3 0.000 1.418  0.00 .13 .06 .00 2.1 .79 .06
     8.000    337     31    334     35 99.7    44.284   0.33    9.65 0.554  0.024  0.3 0.000 1.055  0.00-.08 .08 .00 1.5 .76 .06
     9.000    525      7    525     40 93.9   105.352   0.63    8.88 1.403 -0.046  0.6 0.000 1.163  0.00-.10 .26-.00 1.1 .74 .05
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.070    195     81    195     81 99.5    32.564   0.24    9.81 0.779 -0.121  0.3 0.000 1.558  0.00 .15-.33 .00 1.8 .80 .06
     1.789    195     26    195     26 98.5    39.595   0.29    9.78 0.939 -0.057  0.3 0.000 1.877  0.00-.18-.29-.00 1.8 .79 .05
     3.648    180      0    180      0 98.9    64.182   0.47    9.63 0.000  0.000  0.0 0.000 0.000  0.00-.41-.27 .01 1.8 .72 .06
     5.507    174      0    174      0 96.6    84.341   0.60    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.04-.25 .01 1.6 .68 .05
     7.366    205      0    205      0 96.6    83.519   0.62    9.84 0.000  0.000  0.0 0.000 0.000  0.00 .04-.17-.00 1.4 .53 .05
     9.225    181      0    181      0 93.4   124.440   0.84    9.65 0.000  0.000  0.0 0.000 0.000  0.00-.12-.14-.00 1.2 .56 .05
    11.084    192      0    192      0 95.3   104.789   0.75    9.75 0.000  0.000  0.0 0.000 0.000  0.00-.24-.10 .00 1.5 .55 .06
    12.943    185      0    185      0 95.7    95.303   0.67    9.80 0.000  0.000  0.0 0.000 0.000  0.00-.16-.02 .00 1.5 .54 .06
    14.802    200      3    200      3 99.0    80.899   0.59    9.63 0.597  0.014  0.5 0.000 1.194  0.00-.05 .12-.00 1.5 .59 .05
    16.661    183      4    183      7 96.2    95.866   0.69    9.70 0.499  0.016  0.3 0.000 1.133  0.00-.01 .14-.00 1.4 .64 .05
    18.520    182     10    182     24 95.6    92.829   0.69    9.65 0.463  0.099  0.5 0.000 0.909  0.00 .10 .23-.00 1.3 .64 .05
    20.379    198     16    198     39 98.5    70.484   0.51    9.63 0.467  0.123  0.3 0.000 0.920  0.00 .09 .35 .00 1.4 .70 .06
    22.238    182     20    182     52 97.8    70.635   0.51    9.67 0.501  0.146  0.3 0.000 1.168  0.00 .08 .43-.00 1.4 .73 .05
    24.097    190     18    190     49100.0    53.557   0.39    9.70 0.485  0.090  0.2 0.000 1.479  0.00-.01 .46-.00 1.6 .78 .06
    25.956    184     14    184     48100.0    30.135   0.22    9.75 0.547  0.082  0.3 0.000 1.480  0.00 .06 .45-.00 1.6 .79 .05
    27.815    191     15    191     40100.0    29.583   0.21    9.79 0.527  0.007  0.2 0.000 1.637  0.00 .13 .32-.00 1.7 .72 .06
    29.674    187      7    187     17100.0    15.283   0.11    9.86 0.626 -0.027  0.2 0.000 0.910  0.00-.07 .45 .00 1.7 .86 .05
    31.533    171      0    171     16 99.4    23.000   0.17   10.02 0.782 -0.098  0.3 0.000 0.000  0.00 .19 .36-.01 1.7 .73 .05
    33.392    202      0    202     59100.0    11.027   0.08    9.92 0.978 -1.135  0.4 0.000 0.000  0.00 .11 .38-.00 1.7 .82 .07
    35.251    190      0    190     99100.0     6.290   0.05    9.97 0.964 -2.509  0.3 0.000 0.000  0.00 .21 .22-.00 2.0 .77 .06
    37.110
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    258     15    258     37 96.5    86.040   0.61    9.64 0.448  0.090  0.4 0.000 0.819  0.00 .07 .23 .00 1.4 .65 .06
    10.000    247     20    247     53 98.0    70.126   0.52    9.67 0.496  0.142  0.4 0.000 1.157  0.00 .05 .43-.00 1.2 .71 .05
    20.000    259     28    259     75 99.6    60.114   0.43    9.65 0.482  0.113  0.3 0.000 1.320  0.00 .02 .42-.00 1.6 .77 .06
    30.000    250     21    250     62100.0    30.771   0.23    9.79 0.548  0.071  0.2 0.000 1.572  0.00 .04 .45-.00 1.4 .78 .04
    40.000    252     16    252     41100.0    20.443   0.15    9.83 0.559 -0.034  0.2 0.000 1.226  0.00 .18 .35-.00 1.8 .78 .06
    50.000    241      0    241     19 99.6    22.950   0.17    9.95 0.739 -0.053  0.3 0.000 0.000  0.00 .02 .40-.00 1.7 .79 .05
    60.000    268      0    268     89100.0    11.145   0.08    9.92 0.916 -1.216  0.3 0.000 0.000  0.00 .14 .36-.00 1.9 .82 .07
    70.000    125      0    125     69100.0     3.325   0.03    9.99 1.069 -4.561  0.3 0.000 0.000  0.00 .16 .18-.00 1.9 .75 .04
    80.000       0.037  0.1 0.000 0.267  0.00-.16 .23 .01 1.6 .74 .06
     0.150     13      2     13     13100.0    30.497   0.21    9.08 0.162  0.151  0.1 0.000 0.310  0.00-.54 .65-.00 2.2 1.0 .07
     0.180     18      7     18     18100.0    50.230   0.35    9.23 0.204  0.098  0.1 0.000 0.399  0.00-.24 .08 .00 1.5 .68 .09
     0.210     10      3     10     10100.0    58.205   0.35    9.21 0.217  0.089  0.1 0.000 0.446  0.00 .64 .43-.02 2.4 .55 .06
     0.240     15      1     15     15100.0    67.060   0.38    8.75 0.257  0.224  0.1 0.000 0.536  0.00-.26 .54-.01 1.0 .83 .05
     0.270     24     11     24     24100.0    63.757   0.44    9.29 0.287  0.287  0.2 0.000 0.583  0.00 .22 .25-.00 1.6 .79 .02
     0.300      8      4      8      8100.0    71.996   0.50    9.55 0.315  0.358  0.2 0.000 0.636  0.00 .11-.05-.03 2.8 1.0 .07
     0.330     19      5     19     19100.0    84.857   0.63    9.10 0.349  0.157  0.2 0.000 0.701  0.00-.03 .42 .01 1.1 .79 .03
     0.360     13      4     13     13100.0    64.594   0.45    8.84 0.376  0.214  0.2 0.000 0.762  0.00 .22 .42 .00 .91 .67 .05
     0.390     15     10     15     15 93.3    82.471   0.67    9.03 0.400  0.391  0.3 0.000 0.800  0.00 .33 .23-.02 2.4 .96 .07
     0.420     14      7     14     14 85.7   191.930   1.30    9.36 0.435  0.425  0.5 0.000 0.871  0.00-.33 .28 .01 1.1 .67 .06
     0.450     15      3     15     15 93.3   118.902   0.80    9.06 0.467  0.470  0.4 0.000 0.918  0.00 .37 .32 .00 1.8 .75 .05
     0.480     13      5     13     13100.0    26.419   0.18    9.26 0.497  0.015  0.3 0.000 0.992  0.00 .15 .45-.02 1.5 .87 .07
     0.510     17      3     17     17 94.1    84.663   0.53    9.00 0.522  0.509  0.4 0.000 1.051  0.00-.44 .33-.00 1.8 .67 .06
     0.540     21     11     21     21 95.2    86.374   0.65    9.40 0.554  0.466  0.4 0.000 1.108  0.00-.06 .25 .02 1.1 .87 .08
     0.570    283     89    206    283100.0    10.745   0.08    9.33 1.361 -1.842  0.4 0.000 3.169  0.00 .02 .30 .00 1.6 .83 .06
     0.600
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
      dI/I      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.500    199     80    199    199100.0    -8.600  -0.06    9.49 1.485 -6.376  0.4 0.000 2.642  0.00-.04 .24 .00 1.5 .84 .06
    -0.460      4      2      4      4100.0   -50.348  -0.43    9.17 0.441 -0.572  0.3 0.000 0.893  0.00 .76-.02-.00 2.2 .53 .01
    -0.420      4      3      4      4100.0     6.371   0.06   10.11 0.404 -1.521  0.1 0.000 0.807  0.00-1.1 .58 .00 1.6 .86 .00
    -0.380     11      2     11     11100.0    32.707   0.24    8.78 0.361 -0.871  0.2 0.000 0.712  0.00 .02 .42-.00 1.3 .72 .05
    -0.340      4      2      4      4100.0     3.455   0.03    8.73 0.327 -2.124  0.1 0.000 0.628  0.00 1.7-.08 .00 2.2 1.3 .00
    -0.300      9      4      9      9100.0   -20.998  -0.15    9.68 0.279 -0.511  0.1 0.000 0.572  0.00 .73-.15 .00 2.4 .81 .01
    -0.260      3      1      3      3100.0   -16.751  -0.10    9.64 0.246 -1.010  0.1 0.000 0.454  0.00 .94 .30-.05 2.1 .78 .09
    -0.220     12      4     12     12100.0    25.449   0.17    9.28 0.205 -0.493  0.1 0.000 0.400  0.00-.05 .19-.00 1.7 .52 .01
    -0.180      5      1      5      5100.0   -14.340  -0.11    8.83 0.161 -0.502  0.1 0.000 0.317  0.00 .69-.02-.04 1.5 .80 .08
    -0.140     12      5     12     12100.0    11.549   0.08    9.41 0.126 -0.508  0.0 0.000 0.250  0.00 .30 .19 .00 2.1 .83 .10
    -0.100      2      1      2      2100.0   -24.973  -0.19    8.76 0.080 -0.177  0.0 0.000 0.174  0.00 .61 1.1 .00 .62 1.2 .00
    -0.060      7      1      7      7100.0    67.639   0.37    9.29 0.031 -0.034  0.0 0.000 0.065  0.00 .28 .17 .00 1.7 .41 .00
    -0.020     17      1      9     17100.0    31.749   0.19    8.82 0.011  0.005  0.0 0.000 0.036  0.00 .58 .11-.01 1.8 .53 .08
     0.020      7      1      7      7100.0    58.806   0.38    9.14 0.034  0.038  0.0 0.000 0.069  0.00-.05 .35-.00 .84 .59 .01
     0.060      2      1      2      2100.0    65.474   0.56    8.15 0.092  0.092  0.1 0.000 0.197  0.00-.96 .02 .05 1.9 .66 .07
     0.100     11      4     11     11100.0    36.566   0.26    9.33 0.114  0.170  0.0 0.000 0.228  0.00-.68 .53-.00 2.2 .93 .01
     0.140     12      2     12     12100.0    67.050   0.46    9.01 0.154  0.180  0.1 0.000 0.297  0.00-.64 .77 .00 2.2 1.1 .06
     0.180     13      4     13     13100.0    80.743   0.52    9.05 0.208  0.249  0.1 0.000 0.401  0.00 .26 .19-.00 1.7 .77 .11
     0.220      7      1      7      7100.0    84.556   0.47    8.88 0.245  0.274  0.1 0.000 0.448  0.00-.66 .38 .00 1.6 .67 .07
     0.260     23      8     23     23100.0   100.633   0.64    8.92 0.283  0.293  0.2 0.000 0.580  0.00-.17 .56-.00 .81 .80 .02
     0.300      8      2      8      8100.0   108.225   0.65    9.92 0.320  0.361  0.2 0.000 0.637  0.00-.47 .28-.02 2.5 .79 .07
     0.340     12      5     12     12100.0   109.573   0.82    8.90 0.355  0.369  0.3 0.000 0.710  0.00 .05 .46 .01 .63 .80 .02
     0.380     16      9     16     16 93.8   105.330   0.80    8.84 0.397  0.419  0.3 0.000 0.796  0.00 .53 .14-.01 2.3 .86 .07
     0.420     12      6     12     12 83.3   258.651   1.63    9.31 0.437  0.437  0.6 0.000 0.871  0.00-.27 .47 .02 1.1 .75 .06
     0.460    148     63    148    148 98.0    67.006   0.50    9.06 0.727  0.770  0.4 0.000 1.638  0.00 .06 .38 .00 1.7 .80 .06
     0.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
    dI/sig      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    544    107    274    544 99.8    34.218   0.24    9.25 0.605  0.015  0.3 0.000 1.255  0.00 .02 .28 .00 1.7 .79 .06
     1.000     13      0      9     13 69.2   182.403   1.06    8.81 0.908  0.013  1.3 0.000 0.000  0.00 .06 1.0 .01 .41 1.2 .03
     2.000      2      0      2      2 50.0   522.455   2.90    7.73 0.679  0.162  2.2 0.000 0.000  0.00 .26 1.2 .00 .35 1.3 .00
     3.000      1      0      1      1100.0   143.950   0.96    7.55 3.347 -3.347  3.2 0.000 0.000  0.00-.80 1.7 .00 .80 1.7 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    11.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    12.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    13.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    16.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    17.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    18.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    19.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    20.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    21.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    22.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    23.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    24.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    25.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
   Overall      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   3767    107   3487    560 98.1    60.183   0.44    9.77 0.644  0.000  0.3 0.000 1.255  0.00-.01 .12-.00 1.6 .70 .06
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
   Centric      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Coverage Statistics
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_15.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  1.067    381   3572  10.67   1.14  0.655     0   0.00  0.655   0.79 91.3
 to  1.018    757   4102  18.45   1.13  0.641     4   0.10  0.621   0.51 97.9
 to  0.977   1143   4621  24.73   1.12  0.651     7   0.15  0.697   0.48 97.9
 to  0.942   1528   5156  29.64   1.11  0.637     7   0.14  0.479   0.39 98.8
 to  0.912   1944   5700  34.11   1.09  0.622    16   0.28  0.409   0.39 98.6
 to  0.885   2273   6213  36.58   1.09  0.628    33   0.53  0.706   0.27 99.7
 to  0.861   2669   6771  39.42   1.08  0.632    49   0.72  0.731   0.29 99.3
 to  0.840   2993   7300  41.00   1.08  0.636    69   0.95  0.723   0.22100.0
 to  0.820   3254   7790  41.77   1.08  0.641    94   1.21  0.747   0.21100.0
 to  0.802   3487   8352  41.75   1.08  0.644   107   1.28  0.871   0.30 99.2
New log file is /home/ithil/data/char419/work/cu_char419_16._ls
!====================================================
!05/22/12   10:38:59
INTEGRATE /TITLE="Integration of char419" &
 "/home/ithil/data/char419/cu_char419_0[1-7]_0001.sfrm,cu_char419_[9-23]_0001" &
 /ORIENTATION="/home/ithil/data/char419/work/49YatN.p4p" /SPATIAL=$P4P &
 /TIMEOUT=0.00 &
 /NFRAMES="51,51,51,25,51,48,21,50,56,12,21,51,12,38,13,39,13,29,50,20,27,29" &
 /EXPOSURE=0.00 /TTM=0.00 /ROLL=0.00 /BATCH=1 /CRYSTAL=1 &
 "/home/ithil/data/char419/work/cu_char419_0[1-7].raw,cu_char419_[9-23]" &
 /SNAP=10 /RESOLUTION=0.770 /IOVSIGMA=-3.0 /VERBOSITY=2 /POINTGROUP=-3 &
 /LATTICE=0 /XSIZE=0.380 /YSIZE=0.380 /ZSIZE=1.010 /STRONG=10.0 /LSFIT &
 /LSFREQ=10 /K1=7 /L1=T /GLOBAL /K2=7 /L2=0 /TPROF=0.050 /LTHR=8.00 &
 /LWT=0.00 /LRES=9999.000 /ORTUPDSCALE=1.00 /GREFLIM=9999 /BGSIG=3.00 &
 /ACTTHRESH=0.00 /BGCSCALE=0 /BGQSCALE=6 /AMNAME=$NEW /NODECAY &
 /MACHINE_ERROR=0.000 /ESDSCALE=1.000 /2THETA=-9999.000 /OMEGA=-9999.000 &
 /PHI=-9999.000 /CHI=-9999.000 /NEXP=-9999 /IAXIS=-9999 /WIDTH=-9999.000 &
 /OVRTIME=-9999.0000 /WIDE /ALPHA12 /TWINBOXRATIO=1.300 /VOLTARGET=1.000 &
 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 &
 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 /TWINSEPARATION=1.000 &
 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 /WTMETH=2 /SMAP=1 /DFRAME &
 /LSVD=5.00000E-05 /GSVD=1.00000E-06 /LMARQ=2.00000E-03 &
 /GMARQ=2.00000E-03 /ZW=1.0000 /CYCLIM=25 /LMIN=0 /GMIN=0 /NSIM=0 &
 /SEED=0 /MMIC=20.000 /SMIC=20.000 /MCVERB=1 /MCREFLIM=4096 /MEDMSK=-1 &
 /SHRMSK=-1
 
Multiple runs have been specified:
  (current run indicated with "*")
 FRAME                   MATRIX                 OUTPUT                  #FRAMES
 u_char419_01_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_01.raw       51
 u_char419_02_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
 u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
 u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
 u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
 u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
*u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
 u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is       15
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_16_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_16_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONFIGURE menu)
Faceplate transmittance  :    0.9101 (from CONFIGURE menu)
Phosphor absorption      :    0.9200 (from CONFIGURE menu)
Air absorption (per CM)  :    0.0106 (from CONFIGURE menu)
Active pixel threshold:        0.000 (from Advanced menu)
 
Frames were acquired with BIS 2011.8.1.0/09-Aug-2011:
   Rescan threshold is 95% of A/D conversion range
 
Starting swing angle will be obtained from frame header
Starting omega will be obtained from frame header
Starting phi will be obtained from frame header
Starting chi will be obtained from frame header
Number of exposures summed will be obtained from frame header
Scan axis will be obtained from frame header
Scan width will be obtained from frame header
Exposure time will be obtained from frame header
 
Initial background ================== 05/22/12 10:38:59
Initial background range (deg) =      80.00, interleave = 2
FRQ:674 Exception reading frame /home/ithil/data/char419/cu_char419_16_0015.sfrm:
   FRA:1695 No such file or directory: /home/ithil/data/char419/cu_char419_16_0015.sfrm
FRQ:674 Exception reading frame /home/ithil/data/char419/cu_char419_16_0015.sfrm:
   FRA:1695 No such file or directory: /home/ithil/data/char419/cu_char419_16_0015.sfrm
WARNING:  Short frame series.  Initial BG may be poor.
Number of BG pixels >= 64K:           3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 2: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
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!Region 2: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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!Region 3: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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!Region 4: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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!Region 5: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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!Region 6: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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!Region 7: Section 7->9
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  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
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!Region 8: Section 4->6
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  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
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0I?Eiwua +00= 000 DRresh = 0.050   Blunt0=0V 00#Ponpriauting = 2
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2"0 %0 $ 3  0# !! "" 2)02"01100300000 0# 0  !' " 37 29 1$ 0' 0$ 531!01'0  02' 29 22
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 #0  0   0  0  0  0    0  0 000000000 0  0  0  0
 
K/Sigmq -00> 00  Thresh = 0.050  
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0   Thresh = 0.050   Blend0=0F   #Contributing = 0   InytyalProfileWt = 1.000
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................
Bevynu}e~t, sample 1 of"1 -- ci~wlu=cmponent data
This Y`5+<o'czREkd|k*zyf(!%o)icu>*indices (HKL)
 
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  0 000030060 8  6  3  0  0"   0 00004008011  8  4  0  0     0  0# 0  8  6  0  6  8
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  0 000030060 8  6  3  0  0"   0 00004008011  8  4  0  0     0  0# 0  8  6  0  6  8
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1Betyoz0(R2*;7ox*4^{uNion 7->9
  0  0  0  0  0
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# 0  6 22 4706!04'0" 0& 0  00  0 (02)0! '( %!1#92"82)02" 11  5 22 4' &! $' !2 &6 (0
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000000000 0#  $0  0 &0 (0 &0 3000 0.000  0.00-.27-.11 .00 1.8 .57 .09
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.822      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.645      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.289      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.578      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    29.156      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    58.312      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   116.625      1      0      1      0100.0   -27.439  -0.23   11.22 0.000  0.000  0.0 0.000 0.000  0.00-.79 .96 .00 .79 .96 .00
   233.250    593      0    593      0 93.8    92.017   0.81    9.73 0.000  0.000  0.0 0.000 0.000  0.00-.11-.06 .00 .73 .53 .00
   466.500    462      0    462      0 95.7    88.131   0.60    9.65 0.000  0.000  0.0 0.000 0.000  0.00-.13-.06-.00 2.2 .68 .08
   933.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.212      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.423      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.635      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.846      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.058      9      0      9      0 88.9   158.306   1.07    7.09 0.000  0.000  0.0 0.000 0.000  0.00-.49 .36-.00 1.6 .72 .00
     7.270    174      0    174      0 84.5   150.587   1.07    8.05 0.000  0.000  0.0 0.000 0.000  0.00-.24-.00-.00 1.7 .76 .06
     8.481    357      0    357      0 95.2    85.461   0.67    9.08 0.000  0.000  0.0 0.000 0.000  0.00-.12-.10-.00 1.6 .64 .06
     9.693    311      0    311      0 96.8    79.315   0.63   10.31 0.000  0.000  0.0 0.000 0.000  0.00-.09-.05-.00 1.5 .53 .05
    10.904    205      0    205      0 99.0    60.741   0.51   11.37 0.000  0.000  0.0 0.000 0.000  0.00-.06-.05 .00 1.4 .49 .05
    12.116
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    132      0    132      0100.0    24.539   0.20    9.68 0.000  0.000  0.0 0.000 0.000  0.00-2.6-.04 .06 3.0 .89 .10
    -1.380     19      0     19      0100.0    47.997   0.34   10.18 0.000  0.000  0.0 0.000 0.000  0.00-1.3-.05 .01 1.3 .38 .03
    -1.260     16      0     16      0 93.8    99.871   0.69    9.32 0.000  0.000  0.0 0.000 0.000  0.00-1.2-.10 .01 1.2 .35 .03
    -1.140     28      0     28      0 96.4    85.502   0.67    9.72 0.000  0.000  0.0 0.000 0.000  0.00-1.1-.07 .01 1.1 .57 .03
    -1.020     25      0     25      0100.0    71.679   0.51    9.40 0.000  0.000  0.0 0.000 0.000  0.00-.96-.15 .01 .97 .45 .03
    -0.900     31      0     31      0100.0    82.973   0.66    9.73 0.000  0.000  0.0 0.000 0.000  0.00-.83-.08 .01 .84 .61 .03
    -0.780     44      0     44      0 88.6   161.943   1.13    9.51 0.000  0.000  0.0 0.000 0.000  0.00-.72-.09 .01 .72 .53 .03
    -0.660     41      0     41      0 90.2   131.482   1.02    9.59 0.000  0.000  0.0 0.000 0.000  0.00-.61-.08 .00 .61 .45 .02
    -0.540     51      0     51      0 92.2   119.604   0.94    9.67 0.000  0.000  0.0 0.000 0.000  0.00-.48 .04-.00 .48 .59 .03
    -0.420     57      0     57      0 78.9   201.467   1.48    9.36 0.000  0.000  0.0 0.000 0.000  0.00-.36 .00 .00 .36 .57 .02
    -0.300     69      0     69      0 88.4   120.710   0.95    9.48 0.000  0.000  0.0 0.000 0.000  0.00-.24 .02 .00 .24 .47 .01
    -0.180     55      0     55      0 87.3   121.534   0.92    9.69 0.000  0.000  0.0 0.000 0.000  0.00-.11-.08-.00 .12 .47 .01
    -0.060     62      0     62      0 90.3   128.323   1.02    9.50 0.000  0.000  0.0 0.000 0.000  0.00 .00-.01-.00 .04 .46 .01
     0.060     42      0     42      0 95.2   116.494   0.90    9.67 0.000  0.000  0.0 0.000 0.000  0.00 .12 .08 .00 .13 .43 .02
     0.180     38      0     38      0 97.4    93.050   0.75   10.21 0.000  0.000  0.0 0.000 0.000  0.00 .24-.03-.01 .24 .51 .02
     0.300     57      0     57      0 96.5    95.480   0.80    9.79 0.000  0.000  0.0 0.000 0.000  0.00 .36-.11-.00 .37 .47 .02
     0.420     31      0     31      0 96.8    74.081   0.66    9.85 0.000  0.000  0.0 0.000 0.000  0.00 .47-.03-.00 .47 .46 .01
     0.540     34      0     34      0 97.1    76.374   0.63    9.72 0.000  0.000  0.0 0.000 0.000  0.00 .60-.24-.00 .60 .53 .01
     0.660     41      0     41      0 97.6    64.652   0.53    9.77 0.000  0.000  0.0 0.000 0.000  0.00 .72-.02-.01 .72 .51 .02
     0.780     17      0     17      0100.0    35.277   0.29   10.07 0.000  0.000  0.0 0.000 0.000  0.00 .84-.28-.00 .84 .51 .01
     0.900     22      0     22      0 95.5    74.294   0.56    9.97 0.000  0.000  0.0 0.000 0.000  0.00 .95-.04-.02 .95 .59 .04
     1.020     14      0     14      0100.0    80.060   0.60   10.05 0.000  0.000  0.0 0.000 0.000  0.00 1.1-.09-.02 1.1 .51 .05
     1.140     15      0     15      0100.0    82.207   0.64   10.10 0.000  0.000  0.0 0.000 0.000  0.00 1.2-.19-.03 1.2 .52 .05
     1.260      5      0      5      0100.0    43.072   0.35    9.48 0.000  0.000  0.0 0.000 0.000  0.00 1.3 .29-.02 1.3 .75 .05
     1.380    110      0    110      0100.0    31.461   0.24    9.81 0.000  0.000  0.0 0.000 0.000  0.00 2.7-.12-.07 3.0 .83 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     13      0     13      0100.0    -8.379  -0.08    8.96 0.000  0.000  0.0 0.000 0.000  0.00 .34-1.7-.01 3.3 1.7 .11
    -1.380      8      0      8      0100.0 0.5756247   0.00    9.21 0.000  0.000  0.0 0.000 0.000  0.00 1.2-1.3-.02 3.0 1.3 .11
    -1.260     15      0     15      0100.0    21.522   0.19    9.46 0.000  0.000  0.0 0.000 0.000  0.00 .24-1.2-.00 1.9 1.2 .11
    -1.140     11      0     11      0100.0    -7.365  -0.06    9.68 0.000  0.000  0.0 0.000 0.000  0.00-.59-1.1 .04 3.3 1.1 .07
    -1.020     26      0     26      0100.0    51.077   0.45    9.50 0.000  0.000  0.0 0.000 0.000  0.00 .17-.96-.01 1.6 .96 .07
    -0.900     38      0     38      0 94.7    47.952   0.44    9.43 0.000  0.000  0.0 0.000 0.000  0.00-.35-.83 .01 1.2 .83 .05
    -0.780     36      0     36      0 97.2    65.918   0.59    9.65 0.000  0.000  0.0 0.000 0.000  0.00 .19-.72-.01 1.3 .72 .04
    -0.660     54      0     54      0 98.1    64.096   0.48    9.47 0.000  0.000  0.0 0.000 0.000  0.00-.06-.59 .00 1.7 .59 .04
    -0.540     65      0     65      0 95.4    86.843   0.67    9.77 0.000  0.000  0.0 0.000 0.000  0.00-.01-.47-.00 1.3 .47 .06
    -0.420     77      0     77      0 92.2   101.595   0.80   10.01 0.000  0.000  0.0 0.000 0.000  0.00-.27-.36 .00 .95 .36 .02
    -0.300    102      0    102      0 96.1   101.173   0.79    9.82 0.000  0.000  0.0 0.000 0.000  0.00-.12-.23 .00 1.2 .24 .05
    -0.180     91      0     91      0 95.6    92.496   0.74   10.07 0.000  0.000  0.0 0.000 0.000  0.00-.21-.12-.00 1.3 .13 .04
    -0.060     92      0     92      0 95.7    93.937   0.71    9.94 0.000  0.000  0.0 0.000 0.000  0.00-.31-.00 .01 1.1 .04 .05
     0.060     76      0     76      0 93.4   107.435   0.80    9.87 0.000  0.000  0.0 0.000 0.000  0.00 .04 .12-.01 1.0 .12 .05
     0.180     88      0     88      0 89.8   136.976   1.01    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.12 .24-.01 1.3 .24 .05
     0.300     63      0     63      0 92.1   118.403   0.88    9.56 0.000  0.000  0.0 0.000 0.000  0.00-.12 .36-.00 1.2 .36 .03
     0.420     54      0     54      0 90.7   108.518   0.81    9.70 0.000  0.000  0.0 0.000 0.000  0.00-.06 .48 .00 .99 .48 .04
     0.540     45      0     45      0 91.1   123.431   0.94    9.43 0.000  0.000  0.0 0.000 0.000  0.00 .16 .59-.00 1.1 .59 .03
     0.660     31      0     31      0 93.5   126.184   0.93    9.28 0.000  0.000  0.0 0.000 0.000  0.00-.26 .72 .01 1.3 .72 .03
     0.780     23      0     23      0100.0    38.596   0.30    9.11 0.000  0.000  0.0 0.000 0.000  0.00-.24 .84-.00 1.6 .84 .07
     0.900     16      0     16      0 93.8    58.281   0.48    9.61 0.000  0.000  0.0 0.000 0.000  0.00 .04 .96-.01 3.1 .96 .04
     1.020      9      0      9      0 88.9    43.232   0.38    9.21 0.000  0.000  0.0 0.000 0.000  0.00 .39 1.1-.02 2.2 1.1 .10
     1.140      5      0      5      0100.0 0.1309996   0.00    9.59 0.000  0.000  0.0 0.000 0.000  0.00-.59 1.2 .00 2.2 1.2 .00
     1.260      4      0      4      0100.0    27.472   0.23    9.17 0.000  0.000  0.0 0.000 0.000  0.00 .58 1.3 .04 3.3 1.3 .07
     1.380     14      0     14      0100.0    -2.656  -0.02    9.09 0.000  0.000  0.0 0.000 0.000  0.00-2.2 2.0 .02 5.5 2.1 .14
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      1      0      1      0100.0    38.522   0.34    9.27 0.000  0.000  0.0 0.000 0.000  0.00 4.2-1.2-.31 4.2 1.2 .31
    -0.300     12      0     12      0100.0    41.052   0.32    8.87 0.000  0.000  0.0 0.000 0.000  0.00 3.7-.19-.22 4.3 1.3 .22
    -0.180     56      0     56      0 98.2    88.510   0.60   10.04 0.000  0.000  0.0 0.000 0.000  0.00 1.9-.12-.11 2.2 .63 .12
    -0.060    918      0    918      0 94.0    91.759   0.73    9.68 0.000  0.000  0.0 0.000 0.000  0.00-.14-.04-.00 1.3 .57 .01
     0.060     56      0     56      0 98.2    99.953   0.68    9.89 0.000  0.000  0.0 0.000 0.000  0.00-1.9-.15 .11 2.2 .65 .12
     0.180     12      0     12      0100.0    -7.350  -0.07    9.36 0.000  0.000  0.0 0.000 0.000  0.00-3.1-.28 .21 3.2 .93 .21
     0.300      1      0      1      0100.0    23.465   0.34    7.92 0.000  0.000  0.0 0.000 0.000  0.00-8.7 3.1 .34 8.7 3.1 .34
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
   #Equivs      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1056      0   1056      0 94.6    90.204   0.71    9.70 0.000  0.000  0.0 0.000 0.000  0.00-.12-.06-.00 1.5 .60 .05
     1.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
   Compon#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000   1056      0   1056      0 94.6    90.204   0.71    9.70 0.000  0.000  0.0 0.000 0.000  0.00-.12-.06-.00 1.5 .60 .05
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_16.raw)
  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
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  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
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!Region 5: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 5: Section 7->9
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  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 6: Section 4->6
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  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
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  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
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!Region 6: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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!Region 7: Section 4->6
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!Region 7: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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!Region 8: Section 4->6
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!Region 8: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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!Region 9: Section 4->6
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!Region 1: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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!Region 2: Section 4->6
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!Region 2: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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!Region 3: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
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!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
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  0  8 2906!07(0 Rwniof 4: Sucfy~0$:>.100 78 37 11  2    0  8 9_>S~omw!=29.08   ~hbusx6="".4"0610V{u|v0=6V 00#C~tbqbwmih\ *(06! [gitbalTroui|uWb0/2!:'0&Rq`i}l 8Sum
=0!;03 Lpxku9-2">!##6"$3+0  V] -415RgTi|i *3 Bdcelo$1</35 #01!02" 29 22 11  0  4
 #0 000030060 8  6  3  0  0    0 000040001!0 +01%02"02)02201  3 #0 &  8  6  0  6  8
 &0 300000000 0  0  0  0  0    0 00000000 "3 $41$32)03'02904  4  0    0  0  4  8 11
!Zeg}o~01*0Suctonent 1 in sample 1 (1 in file):
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
Beginning sort with 128MB memory requested...
      3854 reflections read from file   1--/home/ithil/data/char419/work/corrfilt.raw
      3854 reflections written to /home/ithil/data/char419/work/cu_char419_17.raw
 
Computing Reflection File Statistics ========== 05/22/12 10:39:18
Integration of char419
 
...................................................................................
Statistics for reflections in cu_char419_17.raw
File is in BrukerAXS area detector ASCII format
 
Number of lines read (incl comments) =             3854
Number of reflection records read =                3854
Number of records with bad component number =         0
Number of records with bad status value =             0
Number of spots used =                             3854
Number of spot components used =                   3854
 
...................................................................................
Integration of char419
Statistics for sample 1 of 1 in cu_char419_17.raw
 
Lattice:  P (Primitive)
Point group sequence #, name:   6, "-3 (Hexagonal)"
Number of symmetry operators:   6
    1 0 0    0 1 0   -1-1 0   -1 0 0    0-1 0    1 1 0
    0 1 0   -1-1 0    1 0 0    0-1 0    1 1 0   -1 0 0
    0 0 1    0 0 1    0 0 1    0 0-1    0 0-1    0 0-1
 
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents.
Components in the sample map (* marks current component)
   Component   Wanted        A        B        C    Alpha     Beta    Gamma   PointGp         Constraints
     1.1(1)*        Y   11.517   11.517   53.448   90.000   90.000  120.000     -3(H)           Hexagonal
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
     Det X      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     78     16     77     17100.0    15.882   0.23    8.74 0.669  0.029  0.3 0.000 1.333  0.00-.01-.16-.00 2.6 .77 .09
    32.000    169     35    157     47 99.4    18.474   0.24    9.04 0.680 -0.016  0.3 0.000 1.552  0.00 .46-.19-.01 2.8 .83 .08
    64.000    167     55    152     70100.0    12.426   0.16    9.54 0.861 -0.255  0.3 0.000 1.939  0.00 .03-.07 .00 2.1 .70 .05
    96.000    181     61    163     79100.0    20.344   0.22    9.84 0.748  0.138  0.3 0.000 1.618  0.00 .15-.02 .01 2.2 .77 .07
   128.000    228     68    204     92100.0    24.761   0.25   10.30 0.687  0.040  0.4 0.000 1.481  0.00-.01-.08 .00 1.8 .64 .06
   160.000    266     78    237    107 99.2    27.070   0.24   10.64 0.693 -0.015  0.3 0.000 1.628  0.00-.06-.11-.00 1.8 .68 .06
   192.000    283     89    249    123 98.6    32.633   0.27   10.67 0.712 -0.006  0.4 0.000 1.735  0.00 .18-.21 .00 1.7 .67 .06
   224.000    297     99    249    147 99.7    33.712   0.26   10.62 0.641 -0.022  0.3 0.000 1.575  0.00 .06-.10-.00 1.4 .71 .05
   256.000    290     84    244    130 98.6    47.597   0.33   10.73 0.575  0.073  0.3 0.000 1.328  0.00 .09-.24-.01 1.3 .67 .05
   288.000    329     75    282    122 98.2    54.589   0.36   10.35 0.708 -0.046  0.4 0.000 2.193  0.00 .06-.25-.00 1.3 .71 .05
   320.000    287     75    236    126 97.9    64.646   0.41    9.92 0.579  0.007  0.4 0.000 1.661  0.00 .00-.22-.00 1.3 .66 .05
   352.000    300     74    243    131 97.7    66.111   0.40    9.57 0.590 -0.018  0.4 0.000 1.796  0.00-.20-.30 .00 1.2 .71 .05
   384.000    302     52    258     96 97.0    79.612   0.46    9.21 0.492  0.011  0.3 0.000 1.430  0.00-.06-.33-.00 1.1 .67 .05
   416.000    246     47    204     89 93.5   101.933   0.58    8.82 0.574  0.011  0.5 0.000 1.673  0.00-.09-.42-.00 1.3 .73 .05
   448.000    257     45    215     87 90.3   129.579   0.74    8.39 0.532 -0.010  0.6 0.000 1.727  0.00-.23-.48 .00 1.1 .77 .04
   480.000    174     27    148     53 90.2   125.862   0.72    8.10 0.555  0.001  0.5 0.000 1.653  0.00-.30-.47 .00 1.2 .74 .04
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
     Det Y      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    143     67    140     70 95.8    63.754   0.50    8.06 0.500  0.020  0.4 0.000 0.994  0.00 .11-.20-.00 1.7 .97 .07
    32.000    199     86    198     87 96.5    66.481   0.51    8.53 0.700 -0.057  0.4 0.000 1.441  0.00-.02-.20 .00 1.6 .81 .07
    64.000    214     93    207    100 96.7    61.806   0.46    9.03 0.595  0.028  0.4 0.000 1.241  0.00 .06-.09-.00 1.7 .69 .05
    96.000    235    100    232    103 97.9    68.081   0.49    9.54 0.697 -0.086  0.4 0.000 1.430  0.00-.02-.23-.00 1.6 .71 .07
   128.000    261    108    256    113 96.9    50.602   0.36    9.93 0.715 -0.040  0.4 0.000 1.498  0.00-.09-.25 .00 1.7 .64 .06
   160.000    279    107    272    114 96.8    57.716   0.41   10.30 0.575  0.008  0.3 0.000 1.166  0.00-.05-.21 .00 1.4 .62 .05
   192.000    288    116    284    120 97.2    60.103   0.42   10.56 0.753 -0.047  0.4 0.000 1.497  0.00 .00-.28 .00 1.3 .58 .05
   224.000    309    118    304    123 97.4    65.051   0.46   10.60 0.663 -0.050  0.4 0.000 1.352  0.00-.01-.21 .00 1.6 .61 .04
   256.000    293    113    290    116 98.3    53.786   0.37   10.71 0.610 -0.007  0.4 0.000 1.232  0.00 .04-.24-.00 1.4 .59 .06
   288.000    292    115    288    119 97.3    57.641   0.40   10.54 0.670 -0.037  0.4 0.000 1.338  0.00 .05-.26-.00 1.5 .63 .05
   320.000    288     99    282    105 98.3    55.507   0.39   10.27 0.651  0.011  0.4 0.000 1.311  0.00 .08-.22-.01 1.5 .62 .05
   352.000    260     87    256     91 98.1    48.004   0.35    9.96 0.553  0.072  0.4 0.000 1.104  0.00 .02-.27-.00 1.6 .67 .06
   384.000    239     88    239     88 98.3    44.594   0.33    9.59 0.495  0.042  0.3 0.000 0.989  0.00-.13-.31 .00 1.6 .75 .05
   416.000    225     67    225     67 97.8    52.637   0.40    9.08 0.410  0.133  0.3 0.000 0.819  0.00 .07-.26-.00 1.9 .76 .06
   448.000    199     61    198     62 98.5    37.310   0.29    8.60 0.558  0.054  0.4 0.000 1.110  0.00-.08-.27-.00 1.8 .91 .06
   480.000    130     38    130     38 96.2    56.964   0.44    8.22 0.347  0.135  0.4 0.000 0.693  0.00-.10-.32-.00 2.0 1.0 .06
   512.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
     Det R      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     59     32     59     32 98.3    45.068   0.32   11.80 0.585  0.102  0.3 0.000 1.170  0.00 .09-.09-.00 1.2 .53 .04
    30.000    196     70    181     85 99.5    41.958   0.29   11.64 0.645  0.043  0.3 0.000 1.411  0.00-.00-.19 .00 1.4 .56 .05
    60.000    297    118    283    132 99.3    39.045   0.28   11.34 0.702 -0.084  0.4 0.000 1.478  0.00 .13-.21-.00 1.3 .62 .04
    90.000    406    158    393    171 98.5    47.593   0.34   10.92 0.608  0.062  0.3 0.000 1.243  0.00 .00-.21 .00 1.5 .59 .05
   120.000    514    200    491    223 98.6    50.654   0.35   10.43 0.719 -0.099  0.4 0.000 1.522  0.00-.07-.20 .00 1.4 .64 .05
   150.000    511    196    489    218 99.2    46.420   0.34    9.99 0.600 -0.013  0.3 0.000 1.294  0.00 .07-.23-.00 1.5 .65 .06
   180.000    549    195    533    211 97.8    53.307   0.39    9.44 0.603  0.000  0.4 0.000 1.280  0.00 .02-.23-.00 1.6 .69 .05
   210.000    583    167    561    189 94.9    74.344   0.54    8.92 0.564  0.012  0.4 0.000 1.219  0.00-.01-.25-.00 1.7 .75 .06
   240.000    437    135    425    147 95.9    69.839   0.52    8.47 0.602  0.033  0.4 0.000 1.344  0.00-.09-.23-.00 2.0 .86 .06
   270.000    302     95    289    108 94.4    72.830   0.57    7.81 0.468  0.024  0.5 0.000 1.039  0.00-.06-.41-.00 1.9 .93 .07
   300.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
   Quadrnt      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    823    254    744    333 99.8    22.276   0.22   10.13 0.677 -0.026  0.3 0.000 1.469  0.00 .11-.15-.00 2.0 .73 .06
     2.000   1103    285   1035    353 96.6    72.580   0.44    9.56 0.512  0.053  0.4 0.000 1.076  0.00-.07-.35-.00 1.3 .72 .05
     3.000    846    267    764    349 99.3    28.226   0.27   10.16 0.714  0.012  0.3 0.000 1.584  0.00 .08-.09-.00 1.9 .69 .06
     4.000   1082    347    948    481 95.2    87.258   0.53    9.44 0.628 -0.043  0.4 0.000 1.485  0.00-.08-.30 .00 1.2 .69 .05
     5.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
    Region      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000    590    220    539    271 99.2    42.524   0.30   11.47 0.644  0.001  0.4 0.000 1.430  0.00 .08-.18-.00 1.3 .59 .05
     2.000    427    129    396    160 93.4   108.767   0.60    9.42 0.671 -0.046  0.5 0.000 1.582  0.00-.12-.40-.00 1.1 .67 .04
     3.000    548    138    534    152 96.2    76.422   0.46    9.05 0.419  0.110  0.4 0.000 0.824  0.00-.21-.40-.00 1.3 .76 .05
     4.000    347    115    334    128 99.4    37.728   0.28    9.70 0.616 -0.029  0.3 0.000 1.293  0.00 .02-.23-.00 1.7 .77 .05
     5.000    395    130    364    161100.0    18.100   0.19    9.72 0.752 -0.084  0.3 0.000 1.590  0.00 .16-.10-.01 2.2 .80 .07
     6.000    260     65    245     80 99.6    19.449   0.23   10.33 0.708  0.114  0.3 0.000 1.499  0.00 .16-.11 .00 2.2 .57 .06
     7.000    390    123    364    149 99.2    25.139   0.26    9.75 0.750  0.007  0.3 0.000 1.596  0.00 .00-.12 .00 2.1 .70 .07
     8.000    338    136    316    158 97.6    47.723   0.35    9.64 0.670  0.024  0.4 0.000 1.472  0.00 .13-.14-.01 1.5 .79 .07
     9.000    559    210    512    257 94.6    93.090   0.56    8.92 0.597 -0.049  0.4 0.000 1.308  0.00-.09-.31 .00 1.2 .70 .05
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.110    199    144    199    144 93.0   119.849   0.80   10.00 0.438  0.385  0.4 0.000 0.876  0.00 .05 .37-.00 1.2 .61 .05
     1.802    201    173    201    173 94.5   117.564   0.79   10.04 0.442  0.399  0.4 0.000 0.885  0.00-.05 .15-.00 1.3 .52 .05
     3.714    196    188    196    188 93.9   107.305   0.76    9.93 0.402  0.299  0.3 0.000 0.803  0.00-.11 .07-.00 1.7 .63 .06
     5.626    194    157    194    157 92.3   109.384   0.78    9.86 0.456  0.259  0.4 0.000 0.911  0.00-.20-.03 .00 1.3 .54 .04
     7.538    168     67    168     67 93.5   115.740   0.81    9.88 0.492  0.111  0.3 0.000 0.984  0.00-.02-.18 .00 1.3 .52 .05
     9.450    205     29    205     29 94.1    88.003   0.65    9.93 0.540  0.027  0.3 0.000 1.081  0.00 .18-.29-.01 1.6 .64 .05
    11.362    184      0    184      0 95.7   104.863   0.70    9.75 0.000  0.000  0.0 0.000 0.000  0.00-.10-.27 .00 1.3 .63 .05
    13.274    196      0    196      0 96.4    60.913   0.44    9.69 0.000  0.000  0.0 0.000 0.000  0.00 .11-.34-.01 1.7 .77 .06
    15.186    202      0    202      0 99.0    47.292   0.35    9.65 0.000  0.000  0.0 0.000 0.000  0.00-.04-.32-.01 1.8 .74 .06
    17.098    188     26    188     26 98.4    44.876   0.32    9.72 0.592 -0.256  0.5 0.000 1.184  0.00 .06-.35-.00 1.5 .75 .06
    19.010    200     66    200     66 99.0    43.689   0.32    9.60 0.911 -0.553  0.5 0.000 1.821  0.00 .02-.39 .00 1.7 .75 .06
    20.922    192    103    192    103100.0    38.632   0.28    9.64 0.927 -0.698  0.4 0.000 1.854  0.00-.05-.46-.00 1.5 .78 .05
    22.834    187    137    187    137100.0    20.916   0.16    9.63 0.957 -1.219  0.3 0.000 1.914  0.00 .03-.41-.00 1.6 .78 .05
    24.746    199    161    199    161100.0    11.773   0.09    9.58 1.056 -2.966  0.4 0.000 2.112  0.00-.08-.36-.00 1.6 .78 .05
    26.658    198    155    198    155100.0    18.351   0.14    9.66 1.076 -1.586  0.4 0.000 2.151  0.00-.08-.31 .01 1.5 .71 .06
    28.570    176     85    176     85100.0     8.074   0.06    9.73 1.367 -2.029  0.4 0.000 2.734  0.00 .03-.34-.01 1.7 .74 .05
    30.482    200     25    200     25100.0    13.117   0.10    9.69 1.089 -0.201  0.4 0.000 2.177  0.00 .11-.23-.00 1.8 .82 .05
    32.394    185      0    185      0100.0    12.879   0.10    9.90 0.000  0.000  0.0 0.000 0.000  0.00 .12-.34-.00 1.7 .78 .06
    34.306    195      0    195      0 99.5    19.303   0.14    9.81 0.000  0.000  0.0 0.000 0.000  0.00-.04-.33 .00 1.8 .76 .06
    36.218    189      0    189      0100.0    21.198   0.15    9.87 0.000  0.000  0.0 0.000 0.000  0.00 .00-.42 .00 2.0 .79 .06
    38.130
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    248     72    248     72 98.8    42.405   0.30    9.65 0.884 -0.499  0.5 0.000 1.768  0.00 .07-.35 .00 1.8 .74 .06
    10.000    252    140    252    140100.0    37.015   0.28    9.63 0.888 -0.677  0.4 0.000 1.776  0.00-.04-.48-.00 1.3 .79 .05
    20.000    252    191    252    191100.0    14.078   0.10    9.61 1.043 -2.228  0.4 0.000 2.087  0.00-.03-.36-.00 1.7 .78 .05
    30.000    255    211    255    211100.0    18.060   0.14    9.64 1.113 -1.810  0.4 0.000 2.225  0.00-.10-.35 .00 1.5 .73 .05
    40.000    240    115    240    115100.0     7.836   0.06    9.72 1.114 -1.851  0.4 0.000 2.228  0.00 .15-.31-.00 1.8 .73 .06
    50.000    252     18    252     18100.0    14.564   0.11    9.77 1.275 -0.133  0.4 0.000 2.550  0.00 .03-.29-.00 1.6 .81 .05
    60.000    258      0    258      0 99.6    16.847   0.12    9.80 0.000  0.000  0.0 0.000 0.000  0.00 .00-.30-.00 1.9 .77 .07
    70.000    232      0    232      0100.0    20.306   0.15    9.88 0.000  0.000  0.0 0.000 0.000  0.00 .01-.42 .00 1.8 .78 .06
    80.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    90.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   100.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   110.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   120.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   130.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   140.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   150.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   160.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   170.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   180.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   190.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   200.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   210.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   220.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   230.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.0tion of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
      dI/I      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.500    560    560    560    560 99.8     1.440   0.01    9.84 1.667-47.287  0.5 0.000 3.334  0.00 .06-.29-.00 1.6 .79 .05
    -0.460     18     18     18     18100.0    -5.072  -0.04    9.81 0.439 -5.177  0.2 0.000 0.877  0.00 .51-.41-.01 2.3 1.1 .05
    -0.420     21     21     21     21100.0    54.148   0.40    9.67 0.396 -0.522  0.2 0.000 0.792  0.00 .58-.28-.00 1.2 .69 .05
    -0.380     16     16     16     16100.0    49.026   0.33   10.20 0.363 -0.460  0.1 0.000 0.726  0.00 .36-.20-.02 1.2 .55 .06
    -0.340     14     14     14     14100.0    33.203   0.31   10.00 0.315 -0.610  0.2 0.000 0.630  0.00-.37-.20 .00 1.3 .65 .00
    -0.300     11     11     11     11 81.8   138.550   1.02    8.96 0.289 -0.373  0.3 0.000 0.578  0.00 .39-.05-.02 2.4 1.2 .06
    -0.260     15     15     15     15100.0    31.743   0.22    9.80 0.239 -0.572  0.1 0.000 0.478  0.00-.64-.18 .01 1.9 .64 .07
    -0.220     28     28     28     28100.0    37.116   0.25   10.05 0.202 -0.431  0.1 0.000 0.403  0.00-.66-.09-.00 2.0 .49 .07
    -0.180     12     12     12     12 91.7   113.399   0.77    9.37 0.162 -0.185  0.1 0.000 0.323  0.00-.76-.36 .03 1.8 .69 .09
    -0.140     19     19     19     19 94.7    84.471   0.56    9.57 0.124 -0.176  0.1 0.000 0.248  0.00 .01-.30 .00 1.4 .63 .05
    -0.100     14     14     14     14100.0    32.038   0.23   10.54 0.074 -0.103  0.0 0.000 0.148  0.00-.19 .00 .02 1.7 .50 .06
    -0.060     22     22     22     22100.0    81.218   0.55    9.64 0.037 -0.042  0.0 0.000 0.073  0.00-.14-.26 .01 .88 .56 .04
    -0.020     16      8      8     16100.0    67.587   0.48    9.84 0.013  0.000  0.0 0.000 0.025  0.00-.04-.34 .01 .92 .61 .01
     0.020     23     23     23     23 95.7    90.189   0.60    9.68 0.035  0.040  0.0 0.000 0.071  0.00-.17-.04 .01 1.7 .71 .04
     0.060     20     20     20     20 95.0    80.550   0.60   10.01 0.086  0.095  0.0 0.000 0.171  0.00 .18 .00-.01 1.4 .71 .06
     0.100     24     24     24     24 91.7   151.314   1.10    9.49 0.119  0.122  0.1 0.000 0.238  0.00-.77-.17 .02 1.5 .67 .05
     0.140     28     28     28     28 96.4   105.303   0.74   10.16 0.153  0.169  0.1 0.000 0.306  0.00-.11-.07 .01 1.2 .56 .06
     0.180     35     35     35     35 91.4   185.431   1.25    9.69 0.198  0.202  0.2 0.000 0.397  0.00-.13-.19 .00 1.3 .50 .06
     0.220     37     37     37     37 97.3   131.186   0.82   10.02 0.242  0.248  0.2 0.000 0.483  0.00 .05 .06-.00 1.2 .41 .04
     0.260     27     27     27     27 88.9   140.731   0.97   10.09 0.279  0.286  0.3 0.000 0.557  0.00-.36 .15 .00 1.3 .55 .04
     0.300     42     42     42     42 90.5   192.214   1.25   10.15 0.317  0.323  0.4 0.000 0.635  0.00-.00 .02-.00 .98 .55 .05
     0.340     39     39     39     39 84.6   216.766   1.32   10.06 0.361  0.380  0.5 0.000 0.722  0.00-.19 .09 .00 .88 .44 .03
     0.380     36     36     36     36 80.6   239.736   1.45    9.87 0.398  0.405  0.5 0.000 0.797  0.00-.31 .08-.00 1.0 .39 .03
     0.420     47     47     47     47 83.0   200.341   1.28   10.06 0.441  0.443  0.5 0.000 0.882  0.00 .16 .09-.01 1.1 .48 .05
     0.460    392    392    392    392 96.4    89.136   0.65   10.05 0.658  0.673  0.4 0.000 1.316  0.00 .05 .04-.00 1.5 .56 .06
     0.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
    dI/sig      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1423    729    729   1423 98.2    59.152   0.43    9.94 0.561  0.050  0.3 0.000 1.458  0.00 .01-.10-.00 1.6 .65 .05
     1.000     87     64     64     87 65.5   257.831   1.65    9.52 0.750 -0.093  1.3 0.000 2.377  0.00-.19-.47-.01 .69 .81 .03
     2.000      6      6      6      6100.0   123.828   0.84    9.46 2.807 -2.807  2.4 0.000 5.614  0.00-.11-1.3 .00 .42 1.4 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    11.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    12.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    13.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    16.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    17.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    18.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    19.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    20.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    21.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    22.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    23.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    24.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    25.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
   Overall      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   3854    758   3096   1516 97.5    56.222   0.41    9.78 0.606  0.000  0.4 0.000 1.958  0.00-.00-.24-.00 1.6 .71 .06
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
   Centric      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Coverage Statistics
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_17.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  1.066    374   3572  10.47   1.20  0.523    74   2.07  0.523   0.75 90.2
 to  1.018    756   4110  18.39   1.19  0.538   146   3.55  0.560   0.49 95.4
 to  0.977   1091   4621  23.61   1.22  0.548   237   5.13  0.570   0.43 97.9
 to  0.942   1435   5158  27.82   1.23  0.560   323   6.26  0.608   0.38 97.9
 to  0.912   1766   5704  30.96   1.23  0.576   414   7.26  0.673   0.33 98.3
 to  0.885   2060   6217  33.13   1.25  0.582   513   8.25  0.623   0.29 99.2
 to  0.861   2379   6773  35.12   1.25  0.593   592   8.74  0.728   0.25 99.0
 to  0.839   2666   7304  36.50   1.25  0.600   669   9.16  0.724   0.23100.0
 to  0.820   2915   7792  37.41   1.25  0.605   732   9.39  0.750   0.19100.0
 to  0.802   3096   8359  37.04   1.24  0.606   758   9.07  0.656   0.25 99.5
New log file is /home/ithil/data/char419/work/cu_char419_18._ls
!====================================================
!05/22/12   10:39:18
INTEGRATE /TITLE="Integration of char419" &
 "/home/ithil/data/char419/cu_char419_0[1-7]_0001.sfrm,cu_char419_[9-23]_0001" &
 /ORIENTATION="/home/ithil/data/char419/work/49YatN.p4p" /SPATIAL=$P4P &
 /TIMEOUT=0.00 &
 /NFRAMES="51,51,51,25,51,48,21,50,56,12,21,51,12,38,13,39,13,29,50,20,27,29" &
 /EXPOSURE=0.00 /TTM=0.00 /ROLL=0.00 /BATCH=1 /CRYSTAL=1 &
 "/home/ithil/data/char419/work/cu_char419_0[1-7].raw,cu_char419_[9-23]" &
 /SNAP=10 /RESOLUTION=0.770 /IOVSIGMA=-3.0 /VERBOSITY=2 /POINTGROUP=-3 &
 /LATTICE=0 /XSIZE=0.380 /YSIZE=0.380 /ZSIZE=1.010 /STRONG=10.0 /LSFIT &
 /LSFREQ=10 /K1=7 /L1=T /GLOBAL /K2=7 /L2=0 /TPROF=0.050 /LTHR=8.00 &
 /LWT=0.00 /LRES=9999.000 /ORTUPDSCALE=1.00 /GREFLIM=9999 /BGSIG=3.00 &
 /ACTTHRESH=0.00 /BGCSCALE=0 /BGQSCALE=6 /AMNAME=$NEW /NODECAY &
 /MACHINE_ERROR=0.000 /ESDSCALE=1.000 /2THETA=-9999.000 /OMEGA=-9999.000 &
 /PHI=-9999.000 /CHI=-9999.000 /NEXP=-9999 /IAXIS=-9999 /WIDTH=-9999.000 &
 /OVRTIME=-9999.0000 /WIDE /ALPHA12 /TWINBOXRATIO=1.300 /VOLTARGET=1.000 &
 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 &
 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 /TWINSEPARATION=1.000 &
 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 /WTMETH=2 /SMAP=1 /DFRAME &
 /LSVD=5.00000E-05 /GSVD=1.00000E-06 /LMARQ=2.00000E-03 &
 /GMARQ=2.00000E-03 /ZW=1.0000 /CYCLIM=25 /LMIN=0 /GMIN=0 /NSIM=0 &
 /SEED=0 /MMIC=20.000 /SMIC=20.000 /MCVERB=1 /MCREFLIM=4096 /MEDMSK=-1 &
 /SHRMSK=-1
 
Multiple runs have been specified:
  (current run indicated with "*")
 FRAME                   MATRIX                 OUTPUT                  #FRAMES
 u_char419_01_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_01.raw       51
 u_char419_02_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_02.raw       51
 u_char419_03_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_03.raw       51
 u_char419_04_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_04.raw       25
 u_char419_05_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_05.raw       51
 u_char419_06_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_06.raw       48
 u_char419_07_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_07.raw       21
 u_char419_09_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_09.raw       50
 u_char419_10_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_10.raw       56
 u_char419_11_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_11.raw       12
 u_char419_12_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_12.raw       21
 u_char419_13_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_13.raw       51
 u_char419_14_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_14.raw       12
 u_char419_15_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_15.raw       38
 u_char419_16_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_16.raw       13
 u_char419_17_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_17.raw       39
*u_char419_18_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_18.raw       13
 u_char419_19_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_19.raw       29
 u_char419_20_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_20.raw       50
 u_char419_21_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_21.raw       20
 u_char419_22_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_22.raw       27
 u_char419_23_0001.sfrm  har419/work/49YatN.p4p work/cu_char419_23.raw       29
 
Current batch number is       17
 
Integration of char419
 
Linear size of input frames:   512
Frame queue half-size:           7
Number of frames in queue:      15
Profile X,Y,Z half-widths:       4  4  4
Number of X,Y,Z profile points:  9  9  9
 
APEX CCD DETECTOR PARAMETERS ------------
Detector type = 2 was obtained from CONFIGURE menu
Multiwire reference correction will be disabled
Read noise (e-):               11.84 (from CONFIGURE menu)
Electrons per A/D unit:         9.81 (from CONFIGURE menu)
Electrons per x-ray photon:    78.00 (from CONFIGURE menu)
Base offset per exposure:         16 (from frame cu_char419_18_0001.sfrm)
Per-exposure full scale:     3720000 (from frame cu_char419_18_0001.sfrm)
Nominal pixels per CM:        83.333 (from CONFIGURE menu)
CM from face to imaging plane: 0.000 (from CONFIGURE menu)
Fiducial spot spacing(CM):     0.254 (from CONFIGURE menu)
Faceplate transmittance  :    0.9101 (from CONFIGURE menu)
Phosphor absorption      :    0.9200 (from CONFIGURE menu)
Air absorption (per CM)  :    0.0106 (from CONFIGURE menu)
Active pixel threshold:        0.000 (from Advanced menu)
 
Frames were acquired with BIS 2011.8.1.0/09-Aug-2011:
   Rescan threshold is 95% of A/D conversion range
 
Starting swing angle will be obtained from frame header
Starting omega will be obtained from frame header
Starting phi will be obtained from frame header
Starting chi will be obtained from frame header
Number of exposures summed will be obtained from frame header
Scan axis will be obtained from frame header
Scan width will be obtained from frame header
Exposure time will be obtained from frame header
 
Initial background ================== 05/22/12 10:39:18
Initial background range (deg) =      80.00, interleave = 2
FRQ:674 Exception reading frame /home/ithil/data/char419/cu_char419_18_0015.sfrm:
   FRA:1695 No such file or directory: /home/ithil/data/char419/cu_char419_18_0015.sfrm
FRQ:674 Exception reading frame /home/ithil/data/char419/cu_char419_18_0015.sfrm:
   FRA:1695 No such file or directory: /home/ithil/data/char419/cu_char419_18_0015.sfrm
WARNING:  Short frame series.  Initial BG may be poor.
Number of BG pixels >= 64K:               0
 
Initial BG frame written to cu_char419_ib_18_0001.sfrm
 
Nominal time per frame (s):          74.4
Intensity normalization in deg/min:  3.22581
Output intensities are multiplied by this value
   to place on scale of 1 min/deg
 
Reading orientation and spatial calibration ========== 05/22/12 10:39:18
 
Reading spatial correction from /home/ithil/data/char419/work/49YatN.p4p
Single-detector spatial correction will be used
Orientation for 1 component(s) read from /home/ithil/data/char419/work/49YatN.p4p
Detector distance of    5.000 cm was obtained from frame header of first frame in run
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
... Input P4P data for sample 1 of 1:
... This sample is a single crystal with 3 indices (HKL)
 
... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file)
Orientation ("UB") matrix:
  -0.0678131  -0.0946044  -0.0043412
  -0.0727581   0.0232177   0.0008884
   0.0126395   0.0237286  -0.0181774
 
Unit Cell: A           B           C       Alpha        Beta       Gamma
     11.5170     11.5170     53.4481      90.000      90.000     120.000
 
Detector corrections:      X-Cen   Y-Cen    Dist   Pitch    Roll     Yaw
                          -0.227  -0.042  -0.020  -0.120  -0.050  -0.090
 
Goniometer zeros (deg):       0.0000      0.0000      0.0000      0.0000
Crystal translations (pixels):            0.0000      0.0000      0.0000
... End component 1.1(1)
... End sample 1 of 1
 
Mean, a1, a2 wavelength (Angstroms):     1.54184     1.54056     1.54439
Alpha1:alpha2 ratio:                     2.00000
Nominal detector distance (cm):            5.000
X,Y beam center @swing=0 (pixels):        249.13      256.77
 
Input sample map:    1
 
Input components will be treated as follows:
 
 Component   Lattice      PointGroup    Wanted    Indices  Subsystems
    1.1(1)      0=P   -3 (Hexagonal)         Y      3=HKL           1
 
Active pixel mask ================== 05/22/12 10:39:18
Median filter size:   input,  0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 3: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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!Region 5: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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!Region 6: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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!Region 7: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
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!Region 9: Section 4-s6 0.02361$3+0 0VM0- !!Bugyn03: Sectin0!-.!
0000000000000 0  0 
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................
Bevynu}e~t, sample 1 of"1 -- ci~wlu=cmponent data
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  5& &" $'
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N*S~kmw!2)>0(0 0nhresh&=22.$206! Vke|v -6F00 0Cohtribg{ixe *(06! [widqa@c~f{neE{ = 1+60&Rq`C}|08Cu}= 1; # \`x{ou)=22.!#3&"4#+ 0 FN = 1&Rwni|i *3 Bqcd}o~018>" 17  0 27 29 22
1!0 #0   0    0 #0 &0 (0 &0 300000000 0    0 $0 (01!0 (0 400000000 0	  4  0  6  8  6
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  0  0  0  0  0
!Region ;B"*;7o*4^ku^zo~47=-90  0  0    0  0  5 1! !$ !! 05  0 "0
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( 0$ 0  0  00 "0  0 #  6  8  & 0# 0  4 
80!1038!42"02)02'  0 13  5 2, #' &)1%42)43'0) !' 0  0# 00  0 #01! 22 29 2" !! 0# 3 
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3Pevhon#::j=>"/4*<:7) #7Tjker| -40> 5    Blfnu!=2T "9#A}nucirfty~M0=0  60[|y`~azQr{ai~gWt&= 1.0 0Bey}w0Sru ;1199 3Ualymfm = 0(0 16%#3=1 $QM"/ !!BuMyo~02"0A|sbxoy(1;?3) 0( 0  00 "01!03'0(1   '( &71011$21!  5  8 29 6! '( &! "9 #8 $0
# 0  6 22 4706!04'0" 0& 0  00  0 (02)0! '( %!1#92"82)02" 11  5 22 4' &! $' !2 &6 (0
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- !% !$ "! 65 (0 &0
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( !! 3(1142"02)02! 17  ;  5  % 0( 0& 33 &0 +0' "! ") "" !1  3  0
  0  0  00  0 "0  0
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!I?Fiw}a -00.   00Txbec{ -40>#5 0 0Rle~t =0V 00#Pn`biqety~g0-    IDidya|CrnwinwWv9="#.1!0Aegyn %Se} -31+6 0Uahme~ -00. "36!$3+0 0VM0- !!Bugyn0;R*;7o|.1OopLpom74/'64  4  0    0  0  4  ( !! 0( 04  0  0    0  2  0    0" 0  00  0  0
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  "' ") ""
"10430300  0 &02" 47 61 47 2" 0& 0  30 &0  02/ 62 78 61 2) 0( 3 1102"02/0
  5& &" $'
"20060000  0 *02) 61 78 61 2) 0( 0  40 *0  03/ 7<100 78 3' !! 4"1402)03/0
 
N*S~kmw!2)>0(0 0nhresh&=22.$206! Vke|v -6F00 0Cohtribg{ixe *(06! [widqa@c~f{neE{ = 1+60&Rq`C}|09Cu}= 1; # \`x{ou)=22.!#3&"4#+ 0 FN = 1&Rwni|i +3 Bqcd}o~018>" 17  0 27 29 22
1!0 #0   0    0 #0 &0 (0 &0 300000000 0    0 $0 (01!0 (0 400000000 0	  4  0  6  8  6
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!Region ;B"*;7o|*4^ku^zo~47=-90  0  0    0  0  5 1! !$ !! 05  0 "0
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600800603 &0 (0 &  0  7 12 2" ") "" %1 (31!0
( 0$ 0  0  00 "0  0 #  6  8  & 0# 0  4 
80!1038!42"02)02'  0 13  5 2, #' &)1%42)43'0) !' 0  0# 00  0 #01! 22 29 2" !! 0# 3 
6008066"34'06"0%&  0 2< #3 ## "* *"2(16!37(0" "/ 0  0& 03  0 &02" 47 61 4' "" 0& 0 
3004083"06!07,0'%  0 3? 2<  % # 1 !3757(!0 0, #/ 0  0* 04  0 (02) 61 78 6! ") 0* 0 
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3Pevhon#::j=>"/4*<:7) #7Tjker| -40> 5    Blfnu!=2T "9#A}nucirfty~M0=0  60[|y`~azQr{ai~gWt&= 1.0 0Bey}w0Sru ;1199 3Ualymf0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.449      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.674      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.899      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.123      6      0      6      0100.0    74.962   0.46    7.26 0.000  0.000  0.0 0.000 0.000  0.00-.44-.77 .01 .72 .87 .04
     7.348    174      0    174      0 97.7    80.753   0.49    8.11 0.000  0.000  0.0 0.000 0.000  0.00-.26-.42 .00 1.8 .86 .05
     8.573    378      0    378      0 98.7    50.048   0.33    9.16 0.000  0.000  0.0 0.000 0.000  0.00 .07-.31-.00 1.7 .82 .06
     9.798    323      0    323      0 99.7    35.035   0.24   10.36 0.000  0.000  0.0 0.000 0.000  0.00-.17-.28 .00 1.5 .71 .05
    11.022    192      0    192      0100.0    22.724   0.15   11.49 0.000  0.000  0.0 0.000 0.000  0.00 .04-.25-.00 1.3 .67 .05
    12.247
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    153      0    153      0100.0    22.047   0.14    9.58 0.000  0.000  0.0 0.000 0.000  0.00-2.6-.12 .05 2.8 .88 .09
    -1.380     13      0     13      0100.0    49.080   0.31    9.79 0.000  0.000  0.0 0.000 0.000  0.00-1.3-.40 .02 1.3 .67 .05
    -1.260     17      0     17      0100.0    17.956   0.11    9.58 0.000  0.000  0.0 0.000 0.000  0.00-1.2-.48 .01 1.2 .90 .02
    -1.140     16      0     16      0 87.5    82.972   0.51    9.62 0.000  0.000  0.0 0.000 0.000  0.00-1.1-.48 .00 1.1 .85 .03
    -1.020     32      0     32      0 96.9    67.687   0.43    9.56 0.000  0.000  0.0 0.000 0.000  0.00-.97-.38 .02 .97 .64 .04
    -0.900     32      0     32      0100.0    59.184   0.38    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.84-.39 .00 .84 .69 .01
    -0.780     37      0     37      0 94.6    87.942   0.56    9.50 0.000  0.000  0.0 0.000 0.000  0.00-.72-.35-.00 .72 .75 .03
    -0.660     43      0     43      0100.0    56.387   0.40    9.87 0.000  0.000  0.0 0.000 0.000  0.00-.60-.28-.00 .60 .64 .00
    -0.540     41      0     41      0 95.1    85.690   0.59    9.99 0.000  0.000  0.0 0.000 0.000  0.00-.47-.43-.00 .47 .70 .02
    -0.420     55      0     55      0100.0    60.086   0.40   10.02 0.000  0.000  0.0 0.000 0.000  0.00-.36-.42 .00 .36 .80 .00
    -0.300     49      0     49      0 95.9    99.773   0.61    9.68 0.000  0.000  0.0 0.000 0.000  0.00-.25-.36 .00 .25 .70 .01
    -0.180     38      0     38      0100.0    50.304   0.33    9.88 0.000  0.000  0.0 0.000 0.000  0.00-.12-.46 .00 .13 .79 .01
    -0.060     63      0     63      0 98.4    78.645   0.53    9.51 0.000  0.000  0.0 0.000 0.000  0.00 .00-.48-.00 .03 .74 .01
     0.060     45      0     45      0100.0    76.802   0.50    9.81 0.000  0.000  0.0 0.000 0.000  0.00 .12-.26-.01 .13 .72 .03
     0.180     47      0     47      0100.0    59.006   0.38    9.56 0.000  0.000  0.0 0.000 0.000  0.00 .25-.51-.01 .25 .78 .02
     0.300     48      0     48      0100.0    39.841   0.25    9.93 0.000  0.000  0.0 0.000 0.000  0.00 .36-.32-.01 .36 .75 .03
     0.420     32      0     32      0100.0    50.156   0.34    9.64 0.000  0.000  0.0 0.000 0.000  0.00 .48-.49 .00 .48 .82 .05
     0.540     31      0     31      0100.0    32.989   0.23    9.97 0.000  0.000  0.0 0.000 0.000  0.00 .61-.12 .00 .61 .53 .01
     0.660     45      0     45      0100.0    14.905   0.11   10.20 0.000  0.000  0.0 0.000 0.000  0.00 .72-.42-.01 .72 .71 .03
     0.780     38      0     38      0100.0    34.273   0.25    9.63 0.000  0.000  0.0 0.000 0.000  0.00 .84-.15-.00 .85 .59 .02
     0.900     27      0     27      0100.0    14.684   0.10    9.84 0.000  0.000  0.0 0.000 0.000  0.00 .96-.16-.00 .96 .78 .04
     1.020     12      0     12      0100.0    15.297   0.09    9.81 0.000  0.000  0.0 0.000 0.000  0.00 1.1-.12-.03 1.1 .48 .06
     1.140     17      0     17      0100.0    11.165   0.07    9.82 0.000  0.000  0.0 0.000 0.000  0.00 1.2-.66-.02 1.2 .73 .05
     1.260     20      0     20      0100.0    11.472   0.09    9.85 0.000  0.000  0.0 0.000 0.000  0.00 1.3-.11-.01 1.3 .75 .02
     1.380    122      0    122      0100.0    11.480   0.07    9.83 0.000  0.000  0.0 0.000 0.000  0.00 2.7-.20-.06 3.1 .89 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     52      0     52      0100.0     3.643   0.03    9.11 0.000  0.000  0.0 0.000 0.000  0.00 .22-1.7-.02 2.6 1.7 .06
    -1.380     27      0     27      0 92.6    64.403   0.48    9.37 0.000  0.000  0.0 0.000 0.000  0.00-.57-1.3 .01 1.7 1.3 .06
    -1.260     34      0     34      0100.0    57.882   0.41    9.89 0.000  0.000  0.0 0.000 0.000  0.00-.06-1.2-.01 1.8 1.2 .05
    -1.140     39      0     39      0 97.4    88.067   0.57    9.68 0.000  0.000  0.0 0.000 0.000  0.00 .03-1.1-.00 .96 1.1 .04
    -1.020     50      0     50      0 98.0    50.060   0.33    9.72 0.000  0.000  0.0 0.000 0.000  0.00 .13-.96-.00 1.4 .96 .02
    -0.900     56      0     56      0 98.2    60.646   0.41    9.92 0.000  0.000  0.0 0.000 0.000  0.00-.36-.84 .01 1.3 .84 .04
    -0.780     77      0     77      0 98.7    86.367   0.54    9.64 0.000  0.000  0.0 0.000 0.000  0.00 .00-.72 .00 1.1 .72 .04
    -0.660     68      0     68      0 97.1    71.539   0.46    9.60 0.000  0.000  0.0 0.000 0.000  0.00-.19-.60-.00 1.2 .60 .03
    -0.540     84      0     84      0100.0    44.026   0.29    9.73 0.000  0.000  0.0 0.000 0.000  0.00 .21-.48-.01 1.3 .48 .04
    -0.420     80      0     80      0100.0    64.155   0.41    9.86 0.000  0.000  0.0 0.000 0.000  0.00-.02-.36-.01 1.3 .36 .05
    -0.300     96      0     96      0 99.0    51.664   0.31   10.00 0.000  0.000  0.0 0.000 0.000  0.00-.10-.25 .01 1.3 .25 .06
    -0.180     60      0     60      0100.0    41.394   0.26    9.72 0.000  0.000  0.0 0.000 0.000  0.00-.19-.13-.01 1.1 .13 .05
    -0.060     61      0     61      0100.0    32.835   0.23    9.77 0.000  0.000  0.0 0.000 0.000  0.00 .38 .00-.01 1.7 .03 .06
     0.060     54      0     54      0100.0    42.353   0.28   10.06 0.000  0.000  0.0 0.000 0.000  0.00 .05 .12 .00 1.4 .12 .05
     0.180     37      0     37      0100.0    26.858   0.17    9.88 0.000  0.000  0.0 0.000 0.000  0.00-.54 .24 .02 1.8 .24 .07
     0.300     47      0     47      0 97.9    48.491   0.31    9.82 0.000  0.000  0.0 0.000 0.000  0.00-.13 .36 .00 1.5 .36 .03
     0.420     30      0     30      0100.0    37.318   0.25    9.68 0.000  0.000  0.0 0.000 0.000  0.00 .24 .47-.01 1.8 .47 .07
     0.540     32      0     32      0100.0    15.459   0.10   10.18 0.000  0.000  0.0 0.000 0.000  0.00-.27 .60 .01 1.6 .60 .09
     0.660     18      0     18      0100.0    12.267   0.09    9.73 0.000  0.000  0.0 0.000 0.000  0.00 .28 .73 .01 1.6 .73 .05
     0.780     18      0     18      0100.0   -14.099  -0.10   10.05 0.000  0.000  0.0 0.000 0.000  0.00 .02 .83-.01 1.6 .84 .04
     0.900      7      0      7      0100.0    56.583   0.35    9.41 0.000  0.000  0.0 0.000 0.000  0.00-1.5 .98 .00 2.3 .98 .00
     1.020     12      0     12      0100.0   -39.410  -0.28    9.81 0.000  0.000  0.0 0.000 0.000  0.00-1.3 1.1 .03 2.5 1.1 .07
     1.140      7      0      7      0100.0    -8.715  -0.08    9.18 0.000  0.000  0.0 0.000 0.000  0.00-1.5 1.2 .05 2.8 1.2 .11
     1.260     10      0     10      0100.0    -8.375  -0.06    9.37 0.000  0.000  0.0 0.000 0.000  0.00-.34 1.3 .03 2.9 1.3 .10
     1.380     17      0     17      0100.0   -49.631  -0.40    9.60 0.000  0.000  0.0 0.000 0.000  0.00 .29 1.7-.02 3.6 1.8 .09
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.300     16      0     16      0100.0    36.875   0.22    9.42 0.000  0.000  0.0 0.000 0.000  0.00 3.9-.14-.21 4.2 1.0 .21
    -0.180     54      0     54      0100.0    69.536   0.37    9.83 0.000  0.000  0.0 0.000 0.000  0.00 1.7-.36-.11 2.3 .78 .12
    -0.060    939      0    939      0 98.9    43.824   0.30    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.08-.33-.00 1.3 .77 .01
     0.060     51      0     51      0100.0    65.728   0.37    9.56 0.000  0.000  0.0 0.000 0.000  0.00-2.0-.21 .12 2.3 .70 .13
     0.180     13      0     13      0100.0    19.240   0.13   10.12 0.000  0.000  0.0 0.000 0.000  0.00-3.5 .52 .21 3.8 .74 .21
     0.300      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
   #Equivs      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1073      0   1073      0 99.1    45.758   0.30    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.06-.31-.00 1.6 .77 .05
     1.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
   Compon#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000   1073      0   1073      0 99.1    45.758   0.30    9.76 0.000  0.000  0.0 0.000 0.000  0.00-.06-.31-.00 1.6 .77 .05
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
   Angstms      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
  9999.000    131      0    131      0 94.7   137.974   0.70    8.28 0.000  0.000  0.0 0.000 0.000  0.00-.34-.43 .00 1.0 .76 .04
     1.065    118      0    118      0100.0    62.689   0.33    8.93 0.000  0.000  0.0 0.000 0.000  0.00-.03-.37-.00 1.3 .66 .04
     1.017    124      0    124      0 97.6    71.780   0.39    9.62 0.000  0.000  0.0 0.000 0.000  0.00-.05-.29-.00 1.3 .69 .06
     0.976    108      0    108      0100.0    29.157   0.17   10.01 0.000  0.000  0.0 0.000 0.000  0.00-.22-.32 .00 1.3 .77 .04
     0.941    121      0    121      0100.0    30.624   0.19   10.52 0.000  0.000  0.0 0.000 0.000  0.00-.10-.25-.00 1.4 .76 .05
     0.911    110      0    110      0100.0    32.408   0.22   10.66 0.000  0.000  0.0 0.000 0.000  0.00 .10-.30-.01 1.2 .70 .05
     0.884    104      0    104      0100.0    17.939   0.14   10.60 0.000  0.000  0.0 0.000 0.000  0.00-.16-.31 .01 1.9 .91 .06
     0.861    107      0    107      0100.0    13.469   0.12   10.14 0.000  0.000  0.0 0.000 0.000  0.00 .08-.31-.01 1.8 .82 .07
     0.839     91      0     91      0100.0     5.303   0.06    9.66 0.000  0.000  0.0 0.000 0.000  0.00-.01-.19 .01 2.4 .89 .06
     0.820     59      0     59      0100.0     8.751   0.11    9.28 0.000  0.000  0.0 0.000 0.000  0.00 .38-.28-.00 2.4 .70 .05
     0.802
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_18.raw)
    Intens      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    360      0    360      0100.0   -43.893  -0.32    9.86 0.000  0.000  0.0 0.000 0.000  0.00-.03-.22 .00 1.8 .90 .05
     1.181      7      0      7      0100.0     1.843   0.02    9.94 0.000  0.000  0.0 0.000 0.000  0.00 .10 .14-.04 2.8 .80 .11
     2.363     20      0     20      0100.0     3.385   0.03    9.59 0.000  0.000  0.0 0.000 0.  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 4->6
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  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 4: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
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!Region 5: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
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  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 5: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 6: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
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  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
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!Region 6: Section 7->9
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  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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!Region 7: Section 4->6
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
Repeat orientation and spot-shape refinement ============= 05/22/12 10:39:28
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.809   1.809   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  96.73%                Port, connections:  2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   56 -0.31 -0.53  0.01  1.12  0.73  0.05 63.350   0   98  0.23    7 0.45 0.33 1.01 1.000
    1_0002  100 -0.01 -0.38  0.00  1.50  0.67  0.06 62.980   0   96  0.23   10 0.45 0.33 1.01 1.000
    2_0003  110  0.13 -0.39 -0.01  1.48  0.79  0.06 50.923   0   98  0.22    9 0.45 0.33 1.  0    0  0  0  0  0  0  0  0  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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!Region 3: Section 4->6
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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     2.464      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.697      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.929      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.161     38      8     38      8 89.5   121.813   0.69    7.23 0.430  0.134  0.6 0.000 0.860  0.00-.35-.65 .01 1.4 .95 .03
     7.393    552     94    532    114 95.7    80.207   0.51    8.17 0.512  0.015  0.3 0.000 0.952  0.00-.02-.43-.01 1.6 .87 .06
     8.625    964    149    937    176 98.7    54.595   0.37    9.24 0.480  0.004  0.3 0.000 0.924  0.00 .06-.34-.00 1.7 .78 .06
     9.858    891    172    844    219 99.7    35.625   0.25   10.45 0.495 -0.029  0.3 0.000 0.977  0.00-.00-.30-.00 1.5 .67 .06
    11.090    413    103    381    135 99.8    36.342   0.25   11.48 0.527 -0.038  0.3 0.000 1.075  0.00-.03-.26 .00 1.5 .60 .06
    12.322
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    349     60    345     64100.0    19.354   0.12    9.73 0.704 -0.133  0.2 0.000 1.434  0.00-2.7-.16 .06 3.0 .78 .10
    -1.380     39      7     39      7100.0    18.207   0.12    9.58 0.922 -0.260  0.3 0.000 1.844  0.00-1.3-.32 .01 1.3 .69 .03
    -1.260     47      8     47      8100.0    30.362   0.21    9.65 1.109 -0.269  0.4 0.000 2.219  0.00-1.2-.19 .02 1.2 .67 .04
    -1.140     74     16     74     16100.0    33.397   0.23    9.81 0.564 -0.085  0.2 0.000 1.128  0.00-1.1-.27 .01 1.1 .61 .03
    -1.020     70     15     70     15100.0    61.683   0.39    9.65 0.554  0.008  0.3 0.000 1.107  0.00-.96-.36 .01 .96 .68 .04
    -0.900     85     20     84     21 97.6    60.510   0.41    9.59 0.588 -0.072  0.2 0.000 1.153  0.00-.84-.41 .01 .84 .71 .04
    -0.780     94     14     94     14 98.9    53.020   0.37    9.85 0.495  0.006  0.3 0.000 0.990  0.00-.72-.34 .00 .72 .72 .03
    -0.660    107     12    107     12 97.2    71.965   0.48    9.48 0.388 -0.016  0.2 0.000 0.777  0.00-.60-.43 .00 .60 .75 .02
    -0.540    133     31    133     31 94.0   100.811   0.65    9.60 0.387  0.011  0.3 0.000 0.773  0.00-.48-.48 .00 .48 .78 .02
    -0.420    127     34    127     34 97.6    63.699   0.44    9.73 0.525  0.015  0.3 0.000 1.051  0.00-.36-.43 .00 .36 .71 .02
    -0.300    129     43    126     46 93.8   105.583   0.72    9.65 0.411  0.032  0.3 0.000 0.878  0.00-.24-.45 .00 .24 .73 .01
    -0.180    120     28    120     28 96.7    82.542   0.57    9.71 0.551 -0.014  0.4 0.000 1.101  0.00-.12-.43-.00 .13 .68 .01
    -0.060    139     27    137     29 95.0    85.810   0.56    9.62 0.377  0.035  0.3 0.000 0.705  0.00 .00-.46-.00 .04 .78 .02
     0.060    120     24    120     24 96.7    84.792   0.59    9.71 0.386  0.026  0.3 0.000 0.772  0.00 .12-.46-.00 .12 .67 .01
     0.180    120     28    119     29 99.2    64.162   0.43    9.75 0.401  0.090  0.3 0.000 0.748  0.00 .23-.30-.00 .24 .72 .02
     0.300    127     31    126     32 98.4    63.481   0.45    9.92 0.345  0.069  0.3 0.000 0.701  0.00 .36-.42-.01 .36 .71 .02
     0.420    101     19    101     19100.0    56.539   0.40    9.63 0.427  0.001  0.2 0.000 0.854  0.00 .48-.39-.01 .48 .71 .02
     0.540    112     35    112     35 99.1    56.989   0.39    9.91 0.492 -0.050  0.2 0.000 0.983  0.00 .60-.34-.01 .60 .67 .03
     0.660    106     27    106     27100.0    37.551   0.27    9.81 0.493  0.117  0.2 0.000 0.985  0.00 .72-.39-.01 .72 .71 .03
     0.780     61     10     61     10100.0    44.739   0.28    9.71 0.699 -0.042  0.3 0.000 1.398  0.00 .84-.29-.01 .84 .63 .03
     0.900     81     20     80     21100.0    53.213   0.35    9.64 0.429  0.087  0.3 0.000 0.870  0.00 .95-.21-.01 .95 .66 .04
     1.020     63     17     62     18100.0    38.603   0.25    9.80 0.605  0.018  0.2 0.000 1.223  0.00 1.1-.23-.02 1.1 .60 .04
     1.140     35      9     35      9100.0    27.085   0.19    9.80 0.279  0.182  0.1 0.000 0.559  0.00 1.2-.27-.03 1.2 .64 .07
     1.260     41      9     41      9100.0    14.646   0.10    9.59 0.905 -0.559  0.3 0.000 1.810  0.00 1.3-.15-.02 1.3 .70 .06
     1.380    378     84    368     94 99.7    12.683   0.09    9.69 0.708 -0.145  0.2 0.000 1.418  0.00 2.6-.27-.06 2.9 .91 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    126     27    124     29 96.8    22.670   0.17    9.13 0.738 -0.418  0.4 0.000 1.554  0.00 .21-1.6-.01 2.7 1.7 .08
    -1.380     70     18     69     19 95.7    68.014   0.46    9.22 0.536 -0.115  0.3 0.000 1.047  0.00 .01-1.3-.01 1.4 1.3 .06
    -1.260    100     21     98     23 95.0    80.534   0.51    9.41 0.841 -0.079  0.3 0.000 1.601  0.00 .02-1.2-.01 1.7 1.2 .07
    -1.140    110     25    110     25 98.2    56.181   0.38    9.58 0.615 -0.069  0.3 0.000 1.231  0.00 .18-1.1-.01 1.3 1.1 .05
    -1.020    121     31    120     32 92.6   103.969   0.68    9.60 0.345  0.018  0.3 0.000 0.701  0.00-.14-.96-.00 1.2 .96 .04
    -0.900    159     41    155     45 98.7    69.382   0.47    9.66 0.441  0.031  0.3 0.000 0.896  0.00 .04-.84-.01 1.2 .84 .04
    -0.780    210     63    206     67 96.7    82.340   0.54    9.66 0.366  0.032  0.3 0.000 0.735  0.00-.03-.72 .00 1.3 .72 .05
    -0.660    222     47    222     47 97.3    73.122   0.48    9.66 0.454 -0.006  0.3 0.000 0.907  0.00-.09-.60-.00 1.3 .60 .05
    -0.540    231     54    230     55 99.1    67.817   0.45    9.72 0.465  0.012  0.3 0.000 0.894  0.00 .14-.48-.00 1.3 .48 .05
    -0.420    215     46    213     48 98.1    57.003   0.37    9.88 0.376  0.038  0.2 0.000 0.740  0.00 .14-.36-.00 1.3 .36 .05
    -0.300    200     47    198     49100.0    44.667   0.29    9.94 0.562  0.035  0.3 0.000 1.106  0.00-.08-.24-.00 1.3 .24 .05
    -0.180    198     42    198     42 99.5    40.177   0.26    9.81 0.530 -0.003  0.2 0.000 1.060  0.00-.11-.12-.00 1.5 .13 .06
    -0.060    168     36    167     37100.0    46.395   0.31    9.81 0.728  0.056  0.3 0.000 1.429  0.00 .06-.01-.01 1.6 .04 .05
     0.060    168     43    168     43100.0    38.481   0.26   10.12 0.507  0.051  0.2 0.000 1.014  0.00-.05 .12 .00 1.4 .12 .06
     0.180    120     23    120     23100.0    37.914   0.26    9.85 0.472  0.101  0.2 0.000 0.944  0.00-.07 .23 .00 1.5 .23 .06
     0.300    104     16    104     16100.0    32.249   0.22    9.73 0.783  0.035  0.2 0.000 1.566  0.00 .00 .36 .00 1.7 .36 .08
     0.420     73     11     73     11100.0    25.890   0.18    9.89 0.710  0.113  0.3 0.000 1.420  0.00 .18 .48-.01 1.9 .48 .07
     0.540     63     11     63     11100.0    21.328   0.15    9.73 0.429  0.035  0.1 0.000 0.859  0.00 .20 .60 .00 1.5 .60 .05
     0.660     48      9     48      9100.0     5.365   0.04    9.76 0.865 -0.611  0.3 0.000 1.731  0.00 .07 .72-.00 1.3 .72 .06
     0.780     37      3     37      3100.0    15.169   0.11    9.52 2.568 -0.211  0.3 0.000 5.136  0.00-.25 .84 .01 2.7 .84 .09
     0.900     35      6     35      6100.0    -9.534  -0.08    9.67 1.253 -0.370  0.2 0.000 2.505  0.00-.81 .96 .01 2.2 .96 .08
     1.020     18      3     18      3100.0     1.644   0.01    9.44 1.270 -2.365  0.3 0.000 2.541  0.00 .83 1.1-.03 2.2 1.1 .12
     1.140     17      3     17      3100.0   -19.258  -0.17    9.36 1.515 -0.533  0.4 0.000 3.029  0.00-1.1 1.2 .02 2.6 1.2 .04
     1.260     12      1     12      1100.0   -31.294  -0.26    9.65 0.712 -0.058  0.2 0.000 1.425  0.00-1.3 1.3 .07 2.7 1.3 .11
     1.380     33      5     33      5100.0   -21.890  -0.17    9.13 0.414 -0.130  0.3 0.000 0.828  0.00 .57 1.8 .01 3.9 1.9 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      6      2      6      2100.0    -1.774  -0.01    9.62 0.624 -2.520  0.3 0.000 1.249  0.00 4.0 .43-.34 4.5 1.4 .34
    -0.300     49     13     49     13100.0    19.611   0.13    9.72 0.707 -0.257  0.3 0.000 1.415  0.00 3.6-.51-.22 3.9 1.1 .22
    -0.180    173     50    172     51 97.7    86.479   0.48    9.61 0.316  0.031  0.2 0.000 0.676  0.00 1.7-.30-.11 2.1 .71 .12
    -0.060   2429    320   2200    549 98.3    50.272   0.35    9.71 0.524 -0.002  0.3 0.000 0.909  0.00 .01-.35-.00 1.3 .73 .01
     0.060    158     31    158     31100.0    59.014   0.34    9.75 0.413 -0.001  0.2 0.000 0.827  0.00-2.1-.15 .12 2.5 .73 .12
     0.180     40      6     40      6100.0    22.612   0.15    9.69 0.458  0.013  0.1 0.000 0.916  0.00-3.6-.01 .20 3.9 .87 .20
     0.300      3      0      3      0100.0    10.812   0.13    8.60 0.000  0.000  0.0 0.000 0.000  0.00-6.3-.52 .36 6.6 1.4 .36
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
   #Equivs      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   2206      0   2206      0 98.5    48.294   0.33    9.65 0.000  0.000  0.0 0.000 0.000  0.00-.03-.31-.00 1.6 .74 .06
     1.000    652    326    326    652 98.3    64.027   0.42    9.90 0.498  0.000  0.3 0.000 0.859  0.00 .12-.43-.01 1.5 .75 .06
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
   Compon#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000   2858    326   2532    652 98.4    51.883   0.35    9.71 0.498  0.000  0.3 0.000 0.859  0.00 .01-.34-.00 1.6 .74 .06
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
   Angstms      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
  9999.000    319     26    293     52 91.2   129.861   0.68    8.19 0.549  0.000  0.5 0.000 0.829  0.00-.15-.51-.00 1.1 .79 .04
     1.072    331     30    301     60 97.9    82.439   0.45    8.88 0.400  0.000  0.2 0.000 0.728  0.00-.18-.38 .00 1.2 .72 .05
     1.023    322     45    277     90 98.4    64.584   0.37    9.39 0.472  0.000  0.3 0.000 0.816  0.00-.12-.40-.00 1.2 .71 .04
     0.981    303     41    262     82 99.3    52.979   0.32   10.01 0.463  0.000  0.3 0.000 0.772  0.00 .10-.42-.00 1.3 .75 .05
     0.946    328     42    286     84 99.1    49.071   0.30   10.42 0.488  0.000  0.3 0.000 0.800  0.00 .06-.29-.01 1.4 .67 .06
     0.915    261     38    223     76100.0    34.620   0.24   10.54 0.466  0.000  0.3 0.000 0.883  0.00-.06-.33 .00 1.5 .73 .05
     0.888    317     40    277     80100.0    21.360   0.16   10.61 0.695  0.000  0.3 0.000 1.384  0.00 .09-.26-.00 1.6 .76 .07
     0.864    269     37    232     74100.0    20.232   0.18   10.24 0.518  0.000  0.2 0.000 1.029  0.00 .21-.27-.00 2.0 .74 .07
     0.842    225     25    200     50100.0    13.033   0.14    9.58 0.580  0.000  0.2 0.000 1.136  0.00 .34-.18-.00 2.2 .82 .07
     0.822    183      2    181      4100.0    13.354   0.17    9.24 0.787  0.000  0.3 0.000 1.004  0.00-.17-.20 .00 2.6 .74 .09
     0.804
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_19.raw)
    Intens      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    902    148    868    182100.0   -39.273  -0.28    9.79 1.055 -0.186  0.3 0.000 2.418  0.00 .06-.26-.00 1.9 .83 .06
     2.433     33      5     33      5100.0     3.476   0.03    9.84 3.619 -0.346  0.1 0.000 7.238  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
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!Region 9: Section 7->9
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
Repeat orientation and spot-shape refinement ============= 05/22/12 10:39:38
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.809   1.809   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  95.55%                Port, connections:  2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   44 -0.86  0.41  0.02  1.63  0.80  0.06 58.939   0   93  0.25    8 0.45 0.33 1.01 1.000
    1_0002  117 -0.14  0.48  0.01  1.43  0.83  0.06 75.435   1   95   0
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!Region 2: Section 4->6
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!Region 2: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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!Region 5: Section 1->3
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!Region 5: Section 4->6
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!Region 5: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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!Region 6: Section 4->6
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!Region 6: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 8: Section 1->3
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!Region 8: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 9: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  00   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
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   128.875    102     36    102     46100.0    -5.098  -0.04   10.34 0.870 -1.288  0.3 0.889 1.464  1.03 .03-.06 .00 .95 .64 .00
   257.750   2741    608   2268   1230 97.2    52.300   0.43    9.77 0.474  0.007  0.3 0.384 0.913  1.19-.06-.19-.00 .80 .71 .01
   515.500   2110    564   1745   1038 98.3    50.899   0.32    9.76 0.489 -0.004  0.3 0.415 0.897  1.37-.07-.11-.00 2.3 .73 .08
  1031.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.255      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.509      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.764      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.019      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.274     98     30     88     56 89.8   104.098   0.71    7.29 0.356 -0.053  0.4 0.178 0.614  1.13-.13-.20-.01 1.1 .76 .04
     7.528   1087    271    934    533 95.1    76.625   0.53    8.33 0.431 -0.019  0.3 0.341 0.830  1.19-.15-.26 .00 1.7 .85 .05
     8.783   1693    452   1481    772 98.0    50.948   0.37    9.42 0.493  0.007  0.3 0.433 0.924  1.29-.13-.15 .00 1.7 .72 .06
    10.038   1462    435   1264    675 99.1    33.733   0.25   10.65 0.535  0.010  0.3 0.467 0.992  1.32 .05-.12-.00 1.5 .64 .06
    11.292    613    199    538    278 99.5    34.530   0.26   11.65 0.596  0.047  0.3 0.620 1.024  1.10 .02-.05 .00 1.5 .60 .05
    12.547
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    667    223    621    312 99.9    15.343   0.11    9.74 0.600 -0.238  0.2 0.509 1.101  1.33-2.6-.11 .05 3.0 .84 .09
    -1.380     81     25     81     36100.0    38.848   0.28    9.82 0.457  0.138  0.2 0.420 0.586  0.94-1.3-.25 .01 1.3 .67 .03
    -1.260     91     43     88     52 98.9    52.487   0.35    9.81 0.515 -0.001  0.3 0.335 0.941  1.18-1.2-.17 .02 1.2 .66 .05
    -1.140    107     39    105     48 99.1    45.846   0.33    9.64 0.565  0.018  0.3 0.556 1.002  1.31-1.1-.16 .01 1.1 .59 .04
    -1.020    132     45    132     59 97.7    60.358   0.43    9.59 0.569 -0.019  0.3 0.672 1.087  1.46-.96-.16 .01 .96 .63 .03
    -0.900    163     69    163     82 96.3    61.967   0.46    9.56 0.359  0.009  0.2 0.305 0.701  1.12-.84-.18 .01 .84 .71 .03
    -0.780    207     80    202    103 91.8   102.662   0.69    9.54 0.329  0.032  0.3 0.309 0.576  1.25-.72-.19 .00 .72 .64 .02
    -0.660    184     57    179     85 92.9   103.116   0.72    9.72 0.389  0.003  0.3 0.251 0.625  1.20-.60-.15 .01 .60 .65 .02
    -0.540    195     75    190     92 92.8    88.175   0.66    9.61 0.430 -0.014  0.3 0.377 0.911  1.22-.48-.19 .00 .48 .70 .01
    -0.420    251    101    245    124 95.6    92.013   0.67    9.69 0.375  0.008  0.3 0.283 0.616  1.30-.36-.16 .00 .36 .69 .02
    -0.300    238     91    232    109 96.2    81.048   0.59    9.73 0.389  0.024  0.3 0.377 0.595  0.99-.24-.23 .00 .24 .69 .02
    -0.180    239     95    233    125 94.6    81.202   0.59    9.72 0.368  0.047  0.3 0.336 0.658  1.10-.12-.15 .00 .13 .70 .02
    -0.060    262    110    255    135 96.2    67.959   0.50    9.70 0.458  0.040  0.3 0.309 0.786  1.42-.00-.21-.00 .04 .69 .02
     0.060    201     72    197     95 96.5    68.257   0.51    9.90 0.468  0.035  0.3 0.281 0.758  1.47 .12-.22-.00 .13 .70 .03
     0.180    168     64    167     77 98.8    54.716   0.43    9.85 0.573  0.022  0.3 0.405 1.046  1.26 .24-.19-.00 .24 .66 .02
     0.300    183     68    181     82 98.9    47.686   0.37    9.97 0.550  0.056  0.3 0.558 0.802  0.99 .36-.14 .00 .36 .69 .02
     0.420    176     81    175     92 99.4    49.300   0.37    9.86 0.593  0.107  0.3 0.409 1.038  1.82 .47-.16-.00 .47 .63 .02
     0.540    128     47    128     57100.0    39.270   0.30    9.84 0.613 -0.077  0.3 0.644 0.869  1.17 .60-.18-.01 .60 .71 .03
     0.660    175     59    173     69 99.4    42.897   0.32    9.94 0.517 -0.005  0.3 0.462 0.929  1.81 .71-.19-.01 .72 .65 .02
     0.780    133     48    131     58100.0    19.743   0.15    9.80 0.737 -0.244  0.3 0.641 1.231  1.28 .84-.25-.01 .84 .74 .03
     0.900     88     39     88     45100.0    25.709   0.20   10.11 0.582 -0.026  0.2 0.446 1.005  1.14 .96-.17-.01 .96 .65 .05
     1.020     79     28     79     35100.0    32.045   0.23    9.70 0.797 -0.147  0.3 0.966 1.390  1.05 1.1-.15-.01 1.1 .60 .03
     1.140     77     33     76     39100.0    26.776   0.19    9.94 0.640 -0.084  0.3 0.980 1.010  1.29 1.2-.05-.02 1.2 .64 .05
     1.260     76     31     76     37 98.7    21.171   0.16   10.00 0.754 -0.009  0.3 1.201 1.182  0.65 1.3-.11-.02 1.3 .69 .05
     1.380    652    196    609    266100.0    12.496   0.09    9.88 0.619 -0.149  0.2 0.525 1.089  1.40 2.6-.04-.06 2.9 .81 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    174     54    169     77 99.4     2.176   0.02    9.09 0.845 -7.063  0.4 0.630 1.620  1.54-.26-1.6 .01 2.7 1.7 .06
    -1.380     81     25     81     36 96.3    20.709   0.15    9.44 0.588 -0.489  0.4 0.410 0.894  1.33-.02-1.3 .01 1.6 1.3 .07
    -1.260     92     27     91     46 98.9    34.840   0.26    9.36 0.533 -0.245  0.3 0.336 0.886  1.51 .04-1.2-.01 1.6 1.2 .06
    -1.140    147     56    142     78 98.0    44.789   0.33    9.66 0.512 -0.154  0.3 0.468 0.913  1.21 .03-1.1 .00 1.3 1.1 .04
    -1.020    175     73    171     93 97.7    49.845   0.35    9.48 0.560 -0.223  0.3 0.327 0.984  1.36-.06-.96 .00 1.4 .96 .05
    -0.900    246     95    239    132 97.2    57.272   0.40    9.66 0.382 -0.049  0.3 0.237 0.659  1.31-.02-.84-.00 1.4 .84 .05
    -0.780    253     98    249    122 97.6    47.704   0.33    9.69 0.496 -0.141  0.3 0.389 0.814  1.09-.09-.72-.00 1.3 .72 .05
    -0.660    288    108    281    139 97.2    70.860   0.50    9.69 0.407 -0.048  0.3 0.316 0.697  1.27-.16-.60-.00 1.5 .60 .06
    -0.540    310    107    296    146 98.4    56.399   0.40    9.76 0.544  0.015  0.3 0.423 0.859  1.13-.15-.48 .00 1.4 .48 .05
    -0.420    327    104    323    132 98.5    61.612   0.43    9.80 0.441  0.050  0.2 0.307 0.878  1.55-.17-.36 .00 1.3 .36 .05
    -0.300    361    102    353    136 98.3    51.922   0.37    9.97 0.550  0.021  0.2 0.539 0.855  1.13-.01-.24-.00 1.4 .24 .05
    -0.180    344     87    341    108 98.0    58.626   0.42    9.85 0.649 -0.004  0.3 0.560 1.100  1.27 .02-.12-.00 1.3 .13 .05
    -0.060    340    120    330    152 97.4    53.631   0.38    9.85 0.511  0.048  0.3 0.479 0.871  1.26-.06 .00-.00 1.4 .04 .05
     0.060    305    126    298    146 97.7    60.795   0.44   10.00 0.511  0.034  0.3 0.443 0.818  1.28-.04 .12-.00 1.5 .13 .06
     0.180    271    107    267    124 97.0    51.923   0.39    9.97 0.533  0.086  0.3 1.081 0.994  1.65-.04 .24-.00 1.4 .25 .05
     0.300    242     88    237    101 97.9    51.928   0.38    9.86 0.406  0.010  0.2 0.812 0.748  1.32-.15 .36 .00 1.3 .36 .05
     0.420    220     93    214    105 96.4    68.701   0.51   10.04 0.412  0.138  0.3 0.810 0.690  1.94 .05 .48-.00 1.8 .48 .05
     0.540    185     94    182    106 96.8    47.266   0.35    9.86 0.408  0.172  0.3 0.791 0.691  1.22-.12 .60 .01 1.7 .60 .06
     0.660    160     87    159     93 97.5    49.195   0.37   10.05 0.430  0.204  0.3 0.849 0.738  0.95 .02 .72-.01 1.6 .72 .06
     0.780    113     67    113     71 95.6    49.610   0.39    9.90 0.382  0.207  0.3 0.548 0.653  1.03-.19 .84-.00 1.5 .84 .05
     0.900     88     40     88     43 98.9    27.994   0.22    9.90 0.494  0.044  0.3 0.929 0.812  1.58 .34 .96 .00 1.9 .96 .06
     1.020     63     32     62     34 96.8    38.568   0.31    9.50 0.441 -0.006  0.3 0.443 0.847  1.47 .10 1.1-.01 2.0 1.1 .06
     1.140     43     18     43     20 95.3    35.542   0.28    9.63 0.397  0.214  0.3 1.034 0.645  0.96 .63 1.2-.01 2.3 1.2 .08
     1.260     35     18     35     19100.0    -2.775  -0.02    9.59 0.583  0.056  0.2 0.670 1.044  1.21-.81 1.3 .01 2.9 1.3 .06
     1.380     90     52     89     55100.0    -5.757  -0.05    9.29 0.679 -1.151  0.3 0.532 1.136  1.20-.06 1.8-.01 3.6 1.9 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    -0.420      2      1      2      1100.0    51.618   0.38   10.12 0.270  0.237  0.1 0.197 0.219  0.79 4.3-.28-.37 4.3 .44 .37
    -0.300     83     30     81     36100.0    11.874   0.08    9.91 0.602 -0.202  0.2 0.605 1.101  1.28 3.4 .13-.21 3.7 .93 .21
    -0.180    278    101    269    128 98.9    59.028   0.36    9.87 0.421  0.026  0.3 0.331 0.716  1.22 1.9-.07-.11 2.3 .67 .12
    -0.060   4242    794   3231   1978 97.5    50.589   0.38    9.77 0.494 -0.007  0.3 0.416 1.027  1.28-.09-.16 .00 1.4 .71 .01
     0.060    284    113    271    142 99.3    59.825   0.38    9.76 0.433  0.082  0.3 0.374 0.768  1.32-1.9-.14 .11 2.3 .73 .12
     0.180     62     24     62     28100.0    17.569   0.12    9.81 0.557 -0.100  0.2 0.373 1.091  1.71-3.2-.17 .21 3.6 .97 .22
     0.300      2      1      2      1100.0    27.294   0.32    9.11 4.029  0.440  0.3 0.000 8.058  0.00-5.9 1.4 .32 5.9 1.6 .32
     0.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.660      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.780      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.020      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.140      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.260      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.380      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
   #Equivs      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   2639      0   2639      0 98.0    43.272   0.32    9.81 0.000  0.000  0.0 0.000 0.000  0.00-.03-.17-.00 1.7 .69 .06
     1.000   1300    473    650   1300 98.3    46.530   0.35    9.64 0.521  0.000  0.3 0.000 1.253  0.00-.12-.11 .00 1.7 .75 .06
     2.000   1014    338    338   1014 96.2    74.507   0.49    9.87 0.452  0.000  0.3 0.406 0.773  1.28-.05-.15-.00 1.3 .73 .05
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
   Compon#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000   4953    811   3627   2314 97.7    50.521   0.37    9.78 0.486  0.000  0.3 0.406 1.002  1.28-.06-.15-.00 1.6 .72 .06
     2.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     9.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_20.raw)
   Angstms      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
  9999.000    575     73    399    299 89.0   133.189   0.75    8.26 0.354  0.000  0.3 0.255 0.605  1.21-.24-.36 .00 1.1 .76 .04
     1.066    567     65    418    259 97.5    77.731   0.45    8.96 0.434 -0.000  0.3 0.360 0.871  1.14-.14-.28-.00 1.1 .68 .04
     1.018    539     82    379    275 98.1    68.275   0.42    9.52 0.482  0.000  0.3 0.448 1.040  1.36-.12-.25 .00 1.3 .71 .05
     0.977    556     78    410    252 98.7    47.549   0.31   10.03 0.554 -0.000  0.3 0.469 1.224  1.63 .02-.23-.00 1.3 .71 .06
     0.942    551     96    393    269 98.7    37.512   0.26   10.51 0.523  0.000  0.3 0.553 1.013  1.07 .06-.12-.00 1.4 .68 .05
     0.912    502     94    358    244 99.6    30.737   0.24   10.65 0.582  0.000  0.2 0.586 1.143  1.15-.07-.08 .00 1.6 .68 .06
     0.885    510     88    388    210 99.4    26.285   0.23   10.66 0.omponent data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
Repeat orientation and spot-shape refinement ============= 05/22/12 10:39:52
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.809   1.809   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  95.78%                Port, connections:  2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   70 -0.50  0.46  0.01  1.00  0.73  0.03 85.207   1   96  0.25    7 0.45 0.33 1.01 1.000
    1_0002   90 -0.14  0.25  0.00  1.52  0.72  0.04 85.460   1   94  0.28    9 0.45 0.33 1.01 1.000
    2_0003  106 -0.13  0.42  0.00  1.47  0.72  0.06 98.868   1   94  0.28    9 0.45 0.33 1.01 1.000
    3_0004   82  0.15  0.24 -0.01  1.45  0.63  0.05 111.94   1   93  0.30   10 0.45 0.33 1.01 1.000
    4_0005  117 -0.17  0.21  0.00  1.84  0.67  0.06 86.879   1   94  0.28   10 0.45 0.33 1.01 1.000
    5_0006   99 -0.29  0.14 -0.00  1.73  0.57  0.04 86.061   1   92  0.29   10 0.45 0.33 1.01 1.000
    6_0007  100 -0.15  0.11  0.01  1.89  0.71  0.08 92.004   1   92  0.29   10 0.45 0.33 1.01 1.000
    7_0008  107 -0.06  0.07 -0.01  1.32  0.54  0.06 97.120   1   92  0.29    9 0.45 0.33 1.01 1.000
    8_0009   96 -0.16  0.06  0.01  1.39  0.47  0.04 108.44   1   92  0.28    9 0.45 0.33 1.01 1.000
    9_0010  108 -0.32  0.01  0.02  1.36  0.55  0.06 106.36   1   92  0.30    9 0.45 0.33 1.01 1.000
   10_0011   99  0.04 -0.04 -0.00  1.58  0.63  0.06 95.413   1   90  0.31    9 0.45 0.33 1.01 1.000
   11_0012   92 -0.09 -0.11  0.00  1.22  0.48  0.05 107.70   1   91  0.28   10 0.45 0.33 1.01 1.000
   12_0013  104 -0.27 -0.18  0.01  1.62  0.55  0.06 86.091   1   94  0.28   10 0.45 0.33 1.01 1.000
   13_0014  107  0.00 -0.11  0.00  1.34  0.63  0.05 83.404   1   96  0.28   10 0.45 0.33 1.01 1.000
   14_0015  103 -0.13 -0.20  0.01  1.40  0.62  0.04 83.479   1   97  0.28    9 0.45 0.33 1.01 1.000
   15_0016   96 -0.01 -0.25 -0.01  1.50  0.61  0.04 75.715   1   95  0.27   10 0.45 0.33 1.01 1.000
   16_0017  104 -0.14 -0.31 -0.00  1.54  0.67  0.06 89.174   1   95  0.29   10 0.45 0.33 1.01 1.000
   17_0018   90  0.28 -0.32 -0.01  1.79  0.68  0.07 72.628   1   97  0.29    9 0.45 0.33 1.01 1.000
   18_0019  104 -0.07 -0.30  0.00  1.24  0.75  0.06 91.568   1   94  0.26   10 0.45 0.33 1.01 1.000
   19_0020   65  0.22 -0.47 -0.01  1.17  0.70  0.03 88.625   1   95  0.24    8 0.45 0.33 1.01 1.000
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 1: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
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!xewyon0%:0Ces`iv 5<>& 0$ 0    0 000000003006008006 0# 0     0  2# !! "" ") "" 1!0 # Y/Sywmq4=!$.2) #7TjAebl =$0.3506 0Zlvxu1.2T0293Q}nesibvtijM %0!16 C|it~ajArkqi~wGt6- !=00&R}ikw 7Sru ;1))  Faihmg ?90*" 0'%# -104QM2? 1!CaM{v~3%"2X|rvxom81+/3900830!1022"2(!2!'1&(1#  ' 3' !' "  $7 61 <72;26!67(06! 2) 0  ")
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'8!#03#)1 %2!#90 20100380"9061 78$6 $2+) +' " 1$ 0" "" $7 51 371022"62)02" 1! 0+ ")
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000030!1022 29"22 11  3" 0
    0  0# 46 (81!6 (3 $0  0      0  4$5Jwox|y8*#4Bqst}n0-.)
00030060080060030000000 0000 0  3  6  8  6  3  0  00 0000 3 11 22"29 22 11  3  0 0 
00000000000300400300001Rewyon0%:0Cepdi{~ $=>) 0  0    0 000050!10!40!10050 0  0
  0
  0  0  5 11 14 11 050000 0    0  0  0  3  4   0  0    0 300400330040030000 0  0
  0
  0  3 11 22 29 22 !10030 0    0  0  3  6  8   0# 0   %0110!40!100500000000 0  0
!ReMi|~ &. Qqcvpom74/'6400400000 0  0  0$ 0( !! 0  $ 0# !! "2 29 02 11  3 "0      0  0#
0600830'10!20"90"20100300003 0& 0( 0% 0% 0( 0  # 0$ !$ &9 ;7139 94 $4  0      0  0$
380'108856%13!40!10
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0000060"2 $' &! $' "" 0& 0
    0  8%2(16047916!52)0 (0      0  6 23$74&13$70"2006000
0000080"9 &! '( &! ") 0( 0
    2 11 3737(%0 37(03'01!0 "    0  8 9_>C~}w1-2)>0(0 0~hbusx6="".4"0&1 F{elv -6F0 #So~drqrgmyxv0*8 610[wytqql@rovi|uWb0/2!:' &Bqpy}|09Cu}
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II.izyp(Rgpyly +Wh40<}rn ?=+#  Altod2? T) 2!C~otrjbutCnw0=  0 3Yndiy|Pdfz|eGd -01.  0
Bug}n8&Bem8- %+ 00MqhimeW = 0.323014;; & FN = 1
!xewyon0&:0Cesdi~ !=># 0  0    0 000000000023004003 0  0     0  0  0  0  0  0    0  !Bugi~ "* Cucdzo~47=9
  0  0  00  0  0 %01!01$01!  % 0  0 
0000000000000000000 00  0  0 030040033006008000
# 0  0  00  -0.004  0.2 0.000 1.616  0.00-.15-.15 .01 1.5 .59 .06
    14.270    285     18    285     18 97.5    71.376   0.55    9.73 0.342  0.018  0.3 0.000 0.685  0.00 .04-.28-.00 1.6 .64 .06
    14.320    197     33    197     33 97.5    72.443   0.56    9.67 0.380  0.029  0.3 0.000 0.760  0.00-.07-.34 .00 1.3 .71 .05
    14.370      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.420      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.470      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.520      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.570      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.620      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.670      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.720      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.770      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.820      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.870      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.920      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.970
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    20.000   1939     55   1884    110 95.9    83.764   0.65    9.80 0.432  0.000  0.3 0.000 0.751  0.00-.10-.01 .00 1.5 .62 .06
    21.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    745     34    739     40 99.9     1.465   0.01    9.88 0.915 -0.999  0.3 0.000 2.056  0.00-.04-.01-.00 1.8 .71 .06
     0.100    285     16    282     19 98.6    71.047   0.56    9.88 0.322  0.010  0.2 0.000 0.698  0.00-.11-.03 .00 1.5 .68 .05
     0.200    323     24    322     25 94.4   118.800   0.89    9.83 0.319  0.008  0.3 0.000 0.659  0.00-.18-.02 .00 1.3 .60 .06
     0.300    328     16    327     17 94.5   148.587   1.07    9.74 0.342  0.008  0.3 0.000 0.687  0.00-.15 .03 .00 1.1 .50 .05
     0.400    212      7    211      8 83.0   222.793   1.51    9.49 0.311  0.003  0.3 0.000 0.634  0.00-.15-.02 .00 1.2 .42 .06
     0.500     43      1     43      1 95.3   150.289   1.05    9.57 0.374  0.006  0.4 0.000 0.749  0.00 .06 .05 .00 .86 .36 .03
     0.600      3      0      3      0100.0    91.356   0.58    9.58 0.000  0.000  0.0 0.000 0.000  0.00 1.5 .44 .00 2.4 .64 .00
     0.700      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    244     10    244     10 98.0    87.436   0.58    9.74 0.398  0.009  0.3 0.000 0.795  0.00-.03 .02-.00 2.1 .59 .10
     0.050     91      1     91      1 95.6    97.589   0.63    9.82 0.046 -0.000  0.0 0.000 0.093  0.00 .26 .08 .01 1.4 .54 .08
     0.100     64      6     64      6 96.9    58.859   0.40    9.80 0.534 -0.003  0.3 0.000 1.069  0.00 1.3-.19 .02 2.2 .58 .07
     0.150     45      0     45      0 95.6    66.288   0.45    9.76 0.000  0.000  0.0 0.000 0.000  0.00 1.8 .03 .01 2.7 .64 .04
     0.200     89      0     89      0 94.4   102.230   0.79    9.93 0.000  0.000  0.0 0.000 0.000  0.00 .25 .00 .00 1.2 .58 .00
     0.250     69      5     69      5 95.7   103.716   0.89    9.72 1.319 -0.019  0.4 0.000 2.638  0.00-.03-.24 .00 .67 .62 .00
     0.300     88      3     88      3 97.7    66.731   0.61    9.84 0.401  0.010  0.3 0.000 0.802  0.00-.01 .09 .00 .70 .52 .00
     0.350    113     10    113     10 98.2    73.317   0.65    9.70 0.395  0.002  0.4 0.000 0.791  0.00-.02-.02 .00 .65 .63 .00
     0.400    118      8    117      9 94.1    92.079   0.81    9.75 0.673  0.010  0.3 0.000 1.242  0.00-.03-.08 .00 .76 .65 .00
     0.450    125      7    124      8 96.8    77.172   0.69    9.78 0.564 -0.022  0.4 0.000 1.146  0.00-.10 .04 .00 .61 .65 .00
     0.500     89      6     88      7 89.9    98.084   0.87    9.64 0.728 -0.007  0.3 0.000 1.420  0.00-.01-.07 .00 .68 .58 .00
     0.550     99     15     98     16 92.9    97.318   0.85    9.93 0.427 -0.022  0.3 0.000 0.922  0.00-.07 .06 .00 .64 .56 .00
     0.600    104      7    103      8 97.1    81.506   0.73    9.87 0.442  0.004  0.3 0.000 0.983  0.00-.02 .04 .00 .67 .63 .00
     0.650    111      5    111      5 95.5    75.748   0.68    9.96 0.323 -0.008  0.3 0.000 0.646  0.00-.19 .07 .00 .77 .70 .00
     0.700     88      7     88      7 89.8   130.244   1.06    9.65 0.439  0.012  0.4 0.000 0.878  0.00-.22-.01 .00 .74 .54 .00
     0.750     60      1     60      1 95.0    77.671   0.63    9.91 0.218  0.002  0.1 0.000 0.436  0.00-.50 .06 .00 1.7 .72 .00
     0.800     61      2     61      2 96.7    63.838   0.42    9.87 0.299  0.010  0.2 0.000 0.597  0.00-1.7 .00-.01 2.4 .68 .05
     0.850     57      1     57      1 96.5    65.809   0.44    9.99 0.386 -0.002  0.1 0.000 0.773  0.00-1.2-.19-.01 1.8 .61 .05
     0.900     71      5     71      5 98.6    70.476   0.47    9.64 0.299  0.014  0.3 0.000 0.598  0.00-.78-.05-.00 1.9 .64 .08
     0.950    153      6    153      6 98.7    68.690   0.46    9.79 0.214  0.006  0.2 0.000 0.427  0.00-.41-.02 .01 2.4 .72 .11
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.012      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.023      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     8.047      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    16.094      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    32.188      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    64.375      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   128.750     29      0     29      0100.0    -6.121  -0.05   10.34 0.000  0.000  0.0 0.000 0.000  0.00-.30-.03 .00 .84 .75 .00
   257.500   1116     51   1089     78 94.8    90.550   0.78    9.79 0.480 -0.003  0.3 0.000 1.013  0.00-.07-.00 .00 .72 .60 .01
   515.000    794     28    790     32 97.4    77.508   0.52    9.78 0.342  0.006  0.2 0.000 0.713  0.00-.13-.02 .00 2.2 .64 .09
  1030.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.254      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.508      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.762      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.016      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.271     30      0     30      0 86.7   171.980   1.08    7.32 0.000  0.000  0.0 0.000 0.000  0.00-.23-.24 .01 1.0 .74 .04
     7.525    410     12    410     12 91.2   129.042   0.93    8.30 0.334  0.001  0.3 0.000 0.669  0.00-.17-.10 .00 1.5 .70 .06
     8.779    645     35    639     41 96.1    83.842   0.65    9.39 0.367  0.014  0.3 0.000 0.733  0.00-.13 .01 .00 1.6 .65 .06
    10.033    600     30    594     36 98.2    62.148   0.50   10.62 0.460 -0.010  0.3 0.000 0.982  0.00-.07 .01 .00 1.4 .57 .05
    11.287    254     21    254     21 98.8    51.117   0.41   11.61 0.710 -0.033  0.3 0.000 1.419  0.00 .03 .08-.00 1.4 .52 .05
    12.541
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    255     11    255     11 99.2    43.595   0.32    9.76 0.373 -0.004  0.3 0.000 0.745  0.00-2.5 .04 .07 2.7 .72 .10
    -1.380     23      1     23      1 95.7    39.119   0.30    9.48 2.519 -0.004  0.0 0.000 5.039  0.00-1.3-.15 .02 1.3 .53 .05
    -1.260     26      2     26      2 96.2    55.190   0.41   10.02 0.753 -0.044  0.4 0.000 1.505  0.00-1.2 .31 .01 1.2 .66 .03
    -1.140     31      1     31      1 93.5    80.127   0.62    9.47 0.564  0.019  0.5 0.000 1.129  0.00-1.1 .12 .01 1.1 .57 .05
    -1.020     58      7     58      7 93.1   111.962   0.83    9.82 0.475 -0.009  0.2 0.000 0.950  0.00-.97 .14 .01 .97 .51 .04
    -0.900     60      3     60      3 93.3   105.805   0.81    9.57 1.235 -0.021  0.5 0.000 2.470  0.00-.85-.06 .01 .85 .55 .03
    -0.780     71      5     71      5 97.2   102.033   0.77    9.75 0.331  0.006  0.2 0.000 0.663  0.00-.72-.04 .01 .72 .53 .02
    -0.660     89      5     89      5 88.8   156.181   1.13    9.53 0.381  0.007  0.3 0.000 0.761  0.00-.60-.04 .00 .60 .58 .02
    -0.540     93      5     93      5 89.2   134.415   0.97    9.82 0.130  0.003  0.1 0.000 0.260  0.00-.48 .13 .00 .48 .60 .02
    -0.420    102      5    101      6 86.3   165.871   1.24    9.59 0.370  0.006  0.3 0.000 0.752  0.00-.36 .02-.00 .36 .55 .02
    -0.300     97      2     97      2 94.8   100.595   0.78    9.65 1.375 -0.010  0.5 0.000 2.750  0.00-.23-.06 .00 .24 .65 .01
    -0.180    115      6    115      6 93.9   133.328   1.00    9.89 0.193  0.006  0.2 0.000 0.386  0.00-.12-.09 .00 .12 .54 .01
    -0.060    119      9    119      9 95.0   108.103   0.86    9.76 0.423 -0.014  0.3 0.000 0.846  0.00-.00 .01-.00 .04 .56 .02
     0.060    110      7    109      8 93.6    93.716   0.74    9.89 0.576 -0.001  0.4 0.000 1.076  0.00 .12-.09 .00 .13 .59 .02
     0.180     81      4     80      5 97.5    80.776   0.66    9.95 0.492 -0.002  0.3 0.000 0.830  0.00 .24-.07-.00 .24 .59 .02
     0.300     74      3     74      3100.0    79.465   0.65    9.80 0.585 -0.006  0.2 0.000 1.171  0.00 .36 .02-.00 .36 .58 .01
     0.420     63      6     63      6 96.8    66.162   0.55    9.89 0.612  0.014  0.2 0.000 1.223  0.00 .47 .00-.01 .47 .61 .03
     0.540     70      6     70      6100.0    49.667   0.42   10.05 0.607  0.013  0.4 0.000 1.215  0.00 .60-.14-.00 .60 .57 .02
     0.660     42      2     42      2100.0    58.181   0.47    9.93 0.160 -0.007  0.1 0.000 0.320  0.00 .72 .07-.01 .72 .49 .03
     0.780     48      3     47      4100.0    54.101   0.46    9.78 0.591  0.012  0.2 0.000 0.813  0.00 .84 .05-.01 .84 .55 .02
     0.900     33      1     33      1100.0    36.029   0.29    9.96 4.540 -0.065  0.8 0.000 9.079  0.00 .95 .04-.01 .96 .52 .03
     1.020     35      2     35      2100.0    42.729   0.33   10.00 0.444  0.006  0.3 0.000 0.889  0.00 1.1-.06-.02 1.1 .55 .05
     1.140     22      0     22      0100.0    26.921   0.22   10.01 0.000  0.000  0.0 0.000 0.000  0.00 1.2-.20-.02 1.2 .76 .06
     1.260     30      1     30      1100.0    23.091   0.19    9.89 0.110 -0.007  0.1 0.000 0.220  0.00 1.3-.09-.02 1.3 .67 .06
     1.380    192      9    192      9100.0    29.867   0.23    9.87 0.414  0.031  0.3 0.000 0.828  0.00 2.8-.04-.07 3.1 .79 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_21.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     24      3     24      3100.0    13.510   0.12    8.93 0.500  0.080  0.2 0.000 1.000  0.00 1.5-1.7-.06 4.1 1.7 .15
    -1.380     10      0     10      0100.0    12.966   0.10    9.59 0.000  0.000  0.0 0.000 0.000  0.00-.09-1.3 .00 1.8 1.3 .00
    -1.260     25      0     25      0 96.0    75.867   0.60    9.16 0.000  0.000  0.0 0.000 0.000  0.00 .55-1.2-.01 2.0 1.2 .09
    -1.140     35      3     35      3100.0    44.088   0.36    9.15 0.380  0.010  0.2 0.000 0.759  0.00 .12-1.1-.00 1.9 1.1 .04
    -1.020     49      1     49      1 93.9    88.710   0.63    9.59 0.874 -0.008  0.3 0.000 1.747  0.00-.15-.95 .01 1.6 .95 .06
    -0.900     66      2     66      2 90.9    99.653   0.71    9.49 2.251 -0.014  0.4 0.000 4.502  0.00-.26-.84 .01 1.3 .84 .05
    -0.780     73      5     73      5 95.9    92.527   0.71    9.45 0.428  0.013  0.4 0.000 0.856  0.00-.11-.71 .01 1.5 .72 .06
    -0.660     88      4     88      4 97.7    84.491   0.67    9.72 0.127  0.008  0.2 0.000 0.253  0.00-.01-.59 .00 1.3 .59 .06
    -0.540    119      7    119      7 98.3    79.353   0.60    9.85 0.486  0.010  0.2 0.000 0.972  0.00-.19-.48 .01 1.5 .48 .06
    -0.420    124      5    124      5 96.0    96.802   0.72    9.70 0.246  0.006  0.2 0.000 0.492  0.00-.36-.35 .01 1.2 .36 .05
    -0.300    137     12    137     12 96.4   101.202   0.77    9.94 0.436  0.009  0.3 0.000 0.873  0.00-.19-.24 .01 1.2 .24 .06
    -0.180    145      3    145      3 96.6    99.163   0.76    9.93 0.307  0.005  0.2 0.000 0.615  0.00-.04-.12-.00 1.1 .13 .05
    -0.060    176      7    175      8 95.5    96.096   0.73    9.98 0.376  0.004  0.2 0.000 0.798  0.00-.07-.00-.00 1.2 .04 .05
     0.060    146      4    146      4 95.9    75.131   0.59    9.98 0.832 -0.006  0.2 0.000 1.663  0.00-.00 .12 .00 1.3 .12 .05
     0.180    134      9    133     10 94.8   103.132   0.76    9.84 0.580 -0.003  0.4 0.000 1.088  0.00-.16 .24 .00 1.2 .24 .05
     0.300    124      8    124      8 91.1   101.783   0.78    9.82 0.660 -0.003  0.4 0.000 1.320  0.00-.21 .36-.00 1.2 .36 .03
     0.420    101      6    101      6 95.0    92.002   0.70    9.93 0.459  0.013  0.3 0.000 0.918  0.00-.05 .47-.00 1.8 .47 .06
     0.540    100      3    100      3 97.0    83.126   0.63    9.82 0.388  0.003  0.4 0.000 0.775  0.00 .01 .60-.01 1.2 .60 .05
     0.660     73      4     73      4 95.9    59.287   0.47   10.01 0.291  0.000  0.2 0.000 0.582  0.00-.12 .72-.00 1.2 .72 .04
     0.780     53      7     53      7 96.2    51.853   0.42    9.87 0.318 -0.074  0.4 0.000 0.636  0.00-.11 .84 .00 1.9 .84 .08
     0.900     43      5     43      5 97.7    48.359   0.40    9.82 0.391 -0.012  0.2 0.000 0.781  0.00-.22 .96 .01 1.7 .96 .06
     1.020     40      6     40      6 97.5    40.734   0.36    9.78 0.670 -0.073  0.4 0.000 1.339  0.00-.15 1.1 .01 1.5 1.1 .05
     1.140     13      1     13      1100.0    11.371   0.12    9.71 0.223 -0.079  0.1 0.000 0.446  0.00-.72 1.2 .01 1.4 1.2 .04
     1.260     15      2     15      2100.0     8.652   0.08    9.73 0.782 -0.560  0.4 0.000    10_0011  108 -0.42  0.31  0.01  2.10  0.85  0.05 54.753   0   98  0.23   10 0.38 0.38 1.01 1.000
   11_0012   89  0.13  0.42 -0.01  1.63  0.78  0.06 44.945   0  100  0.21   10 0.38 0.38 1.01 1.000
   12_0013  105 -0.27  0.37 -0.00  1.63  0.77  0.08 58.721   0   98  0.24   10 0.38 0.38 1.01 1.000
   13_0014  105 -0.16  0.34  0.00  1.55  0.75  0.06 53.610   0   99  0.23   10 0.38 0.38 1.01 1.000
   14_0015   94  0.16  0.32 -0.01  1.81  0.77  0.05 54.627   0   95  0.28   10 0.38 0.38 1.01 1.000
   15_0016   99 -0.24  0.48 -0.00  1.48  0.76  0.04 54.298   0   99  0.23    9 0.38 0.38 1.01 1.000
   16_0017  105  0.27  0.32 -0.01  1.69  0.67  0.07 55.890   0   98  0.25    9 0.38 0.38 1.01 1.000
   17_0018  107 -0.27  0.38 -0.00  1.93  0.75  0.07 66.333   0   95  0.26   10 0.38 0.38 1.01 1.000
   18_0019  102 -0.31  0.41  0.00  1.79  0.81  0.05 79.064   1   96  0.25   10 0.38 0.38 1.01 1.000
   19_0020   99  0.07  0.31  0.00  1.36  0.66  0.07 72.097   1   95  0.26    9 0.38 0.38 1.01 1.000
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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!Region 2: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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!Region 3: Section 4->6
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!Region 3: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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!Region 4: Section 4->6
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!Region 4: Section 7->9
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
 
New (refined) XYZ spot spread:    0.367   0.367   1.010
 
Integration ============================= 05/22/12 10:40:03
 
Unsorted reflections will be written to:  /home/ithil/data/char419/work/unsorted.raw
Spatially corrected beam center:   249.13  256.77
No reference intensity correction will be made
Input monochromator 2Th, roll (deg):       0.00    0.00
Input X,Y,Z spot spread (deg):     0.367   0.367   1.010
Scale for orientation update length:   1.000E+00
#Frames running average for orientation update:    6
Frames between full refinements of orientation:   10
N, where every Nth strong spot included in LS:     1
 
LS profile fitting will be used
   to worst resolution of 9999.000 A
   up to I/sigma of          8.000
   unweighted fit
 
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.875   1.875   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
WARNING: bad direction cosines for HKL, MNP 7 -10 15, 0 0 0, 0.0100302
 
Background pixels updated =  96.22%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   46 -0.81  0.56  0.03  1.70  0.83  0.08 19.931   0  100  0.18    8 0.44 0.31 1.01 1.000
    1_0002   88 -0.11  0.28 -0.00  1.70  0.67  0.06 23.661   0   99  0.23   10 0.44 0.31 1.01 1.000
    2_0003  117  0.15  0.24 -0.00  2.16  0.79  0.07 13.444   0  100  0.24    9 0.44 0.31 1.01 1.000
    3_0004  104 -0.23  0.28  0.01  1.75  0.84  0.07 15.688   0  100  0.22   10 0.44 0.31 1.01 1.000
    4_0005   79  0.06  0.38 -0.01  1.46  0.77  0.06 29.262   0  100  0.18   10 0.44 0.31 1.01 1.000
    5_0006  110 -0.24  0.33  0.00  1.72  0.75  0.05 21.076   0   99  0.23    9 0.44 0.31 1.01 1.000
    6_0007   95 -0.14  0.37 -0.01  1.72  0.74  0.05 27.965   0  100  0.22   10 0.44 0.31 1.01 1.000
    7_0008  110  0.05  0.31 -0.01  1.79  0.76  0.06 17.458   0  100  0.23    9 0.44 0.31 1.01 1.000
    8_0009  110 -0.27  0.29  0.01  1.63  0.79  0.05 22.498   0  100  0.23    9 0.44 0.31 1.01 1.000
    9_0010   98 -0.41  0.21  0.01  1.53  0.74  0.05 14.011   0  100  0.25   10 0.44 0.31 1.01 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_22_0001.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
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AugyUn 5
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1Bewion 2* Cucdzoz475-(   38    244     38 97.5    69.090   0.51    9.69 0.734  0.039  0.3 0.000 1.468  0.00-.31 .35 .01 1.7 .71 .06
    14.780    253     74    253     74 93.7   101.216   0.70    9.65 0.464  0.052  0.2 0.000 0.927  0.00 .10 .40-.00 1.5 .66 .05
    14.830    243     25    243     25 94.7   100.235   0.72    9.69 0.533  0.011  0.2 0.000 1.067  0.00 .08 .24 .00 1.6 .64 .05
    14.880    192      0    192      0 93.2   110.066   0.77    9.66 0.000  0.000  0.0 0.000 0.000  0.00-.07 .14 .00 1.6 .59 .07
    14.930      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.980      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.030      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.080      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.130      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.180      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.230      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.280      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.330      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.380
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    21.000   2642    156   2486    312 97.7    58.059   0.42    9.84 0.657  0.000  0.3 0.000 1.621  0.00-.08 .32 .00 1.7 .72 .06
    22.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1415    135   1357    193 99.9     3.765   0.03    9.94 0.901 -0.520  0.3 0.000 1.961  0.00-.05 .32-.00 1.8 .79 .06
     0.100    445     46    441     50 98.4    82.517   0.58    9.83 0.507  0.021  0.2 0.000 1.015  0.00-.20 .43 .00 1.5 .73 .06
     0.200    360     35    356     39 97.5   112.146   0.76    9.74 0.456  0.025  0.3 0.000 1.013  0.00-.14 .34 .00 1.4 .63 .06
     0.300    240      9    239     10 94.2   149.513   0.95    9.66 0.423  0.009  0.3 0.000 0.915  0.00 .02 .19 .00 1.3 .56 .06
     0.400    140     12    140     12 83.6   202.516   1.27    9.44 0.439  0.014  0.3 0.000 0.878  0.00-.06 .13-.00 1.6 .54 .06
     0.500     33      6     33      6 81.8   177.329   1.20    9.51 0.814  0.030  0.5 0.000 1.629  0.00-.03-.00 .01 1.7 .44 .04
     0.600      8      2      8      2100.0    93.756   0.62    9.31 0.754  0.107  0.4 0.000 1.508  0.00 .91-.12-.01 2.0 .38 .03
     0.700      1      0      1      0100.0   133.026   0.85    8.12 0.000  0.000  0.0 0.000 0.000  0.00 .09 .09 .00 .09 .09 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    337     43    336     44 99.1    69.073   0.42    9.89 0.585 -0.001  0.2 0.000 1.169  0.00 .14 .25 .00 2.2 .67 .11
     0.050    115     15    115     15 96.5    70.407   0.44    9.84 0.836 -0.020  0.2 0.000 1.673  0.00 .22 .32 .02 1.7 .67 .08
     0.100     91     15     91     15100.0    37.498   0.22    9.75 0.855 -0.063  0.2 0.000 1.709  0.00 1.4 .30 .01 2.1 .70 .06
     0.150     83     10     82     11 97.6    40.616   0.25    9.80 0.655 -0.003  0.2 0.000 1.391  0.00 1.9 .26 .01 2.6 .75 .05
     0.200    111     11    111     11 98.2    48.584   0.38    9.89 0.734 -0.012  0.3 0.000 1.467  0.00 .60 .24 .00 2.0 .72 .00
     0.250    119     15    118     16 98.3    78.112   0.61    9.89 0.730  0.021  0.3 0.000 1.627  0.00-.07 .43 .00 .66 .68 .00
     0.300    114     15    114     15 96.5    65.092   0.52    9.75 0.460  0.013  0.2 0.000 0.920  0.00-.01 .38 .00 .72 .73 .00
     0.350    159     13    158     14 98.1    63.288   0.53    9.81 0.523  0.026  0.3 0.000 0.999  0.00-.04 .42 .00 .66 .75 .00
     0.400    128     14    128     14 96.9    59.632   0.50    9.90 0.682 -0.010  0.2 0.000 1.364  0.00-.09 .28 .00 .68 .69 .00
     0.450    141     17    141     17 96.5    73.881   0.61    9.88 0.763  0.019  0.4 0.000 1.527  0.00-.03 .34 .00 .78 .66 .00
     0.500    131     14    131     14 95.4    70.405   0.58    9.74 0.596 -0.003  0.2 0.000 1.192  0.00 .00 .36 .00 .66 .69 .00
     0.550    116     11    116     11 99.1    50.100   0.42    9.96 0.471  0.015  0.4 0.000 0.941  0.00-.07 .39 .00 .79 .70 .00
     0.600    139     14    139     14 97.1    50.790   0.42    9.75 0.650  0.023  0.2 0.000 1.300  0.00-.10 .32 .00 .78 .75 .00
     0.650    125     18    125     18 97.6    46.408   0.40    9.80 1.299 -0.088  0.4 0.000 2.598  0.00-.12 .31 .00 .87 .79 .00
     0.700    143     17    142     18 94.4    69.101   0.55    9.83 0.587 -0.010  0.4 0.000 1.209  0.00-.12 .39 .00 1.1 .80 .00
     0.750    114      6    114      6 97.4    44.555   0.35    9.94 0.901 -0.001  0.2 0.000 1.802  0.00-.70 .36-.00 1.9 .84 .03
     0.800     80      9     79     10100.0    49.716   0.30    9.77 0.809 -0.036  0.2 0.000 2.024  0.00-2.3 .37-.01 3.1 .91 .04
     0.850     74     14     74     14 97.3    58.792   0.36    9.62 0.668  0.064  0.3 0.000 1.336  0.00-1.6 .20-.01 2.4 .86 .05
     0.900     91     13     91     13 98.9    34.049   0.22    9.84 0.766 -0.054  0.2 0.000 1.531  0.00-.87 .22-.01 1.9 .64 .08
     0.950    231     22    231     22 98.7    46.446   0.29    9.85 0.444  0.021  0.2 0.000 0.888  0.00-.36 .23 .00 2.3 .67 .11
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.928      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.855      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.711      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.422      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    30.844      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    61.688      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   123.375     16      0     16      0100.0   -18.277  -0.13   10.13 0.000  0.000  0.0 0.000 0.000  0.00-.29 .08 .00 .89 .64 .00
   246.750   1495    117   1456    156 97.3    59.771   0.49    9.85 0.654  0.004  0.3 0.000 1.585  0.00-.06 .36 .00 .74 .71 .00
   493.500   1131    117   1092    156 98.3    56.875   0.35    9.81 0.661 -0.005  0.2 0.000 1.367  0.00-.11 .26 .00 2.4 .74 .09
   987.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.259      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.518      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.778      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     5.037      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.296     51      0     51      0 88.2   124.100   0.76    7.35 0.000  0.000  0.0 0.000 0.000  0.00-.33 .59 .01 1.5 .93 .06
     7.555    567     66    562     71 94.0    95.460   0.65    8.36 0.621  0.009  0.3 0.000 1.320  0.00-.19 .32 .00 1.9 .86 .06
     8.814    894    102    877    119 98.8    55.115   0.40    9.44 0.721 -0.009  0.3 0.000 1.531  0.00-.04 .36-.00 1.7 .74 .06
    10.074    770     71    761     80 99.0    44.169   0.33   10.67 0.612  0.000  0.2 0.000 1.241  0.00-.03 .28 .00 1.5 .64 .06
    11.333    360     41    359     42 99.7    26.815   0.20   11.71 0.649 -0.007  0.2 0.000 1.282  0.00-.08 .25-.00 1.6 .58 .06
    12.592
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    359     49    355     53 99.7    27.781   0.19    9.84 0.731 -0.045  0.2 0.000 1.514  0.00-2.7 .24 .06 3.1 .88 .10
    -1.380     40      3     40      3100.0    23.271   0.15    9.85 0.604  0.188  0.5 0.000 1.207  0.00-1.3 .41 .02 1.3 .71 .05
    -1.260     48      6     47      7100.0    29.976   0.21    9.62 0.475  0.001  0.1 0.000 0.928  0.00-1.2 .27 .02 1.2 .69 .04
    -1.140     52      2     52      2100.0    24.088   0.18   10.09 0.875  0.041  0.2 0.000 1.750  0.00-1.1 .34 .01 1.1 .72 .04
    -1.020     79     10     79     10 96.2    87.523   0.58    9.54 0.558  0.013  0.3 0.000 1.116  0.00-.96 .47 .01 .96 .76 .02
    -0.900     78      3     78      3 96.2    72.068   0.47    9.64 0.533  0.010  0.3 0.000 1.066  0.00-.84 .50 .01 .84 .82 .04
    -0.780     92     13     92     13 98.9    41.823   0.31    9.71 0.433  0.057  0.2 0.000 0.865  0.00-.72 .35 .01 .72 .71 .03
    -0.660    119     13    119     13 99.2    68.546   0.49    9.81 0.500  0.008  0.3 0.000 1.000  0.00-.59 .40 .01 .59 .75 .02
    -0.540    121     12    120     13 95.0    87.748   0.60    9.82 0.807 -0.006  0.3 0.000 1.455  0.00-.48 .39 .01 .48 .68 .03
    -0.420    110     13    110     13 91.8    90.529   0.67    9.88 0.415  0.021  0.3 0.000 0.831  0.00-.36 .35 .01 .36 .66 .03
    -0.300    141      9    141      9 94.3   114.113   0.79    9.80 0.592  0.013  0.4 0.000 1.184  0.00-.24 .47 .00 .24 .72 .01
    -0.180    110     14    110     14 96.4    92.731   0.70    9.97 0.786 -0.002  0.3 0.000 1.573  0.00-.11 .40 .00 .12 .69 .02
    -0.060    141     13    141     13 96.5    85.355   0.61    9.86 0.525 -0.006  0.2 0.000 1.050  0.00-.01 .36 .00 .04 .67 .02
     0.060    118     12    117     13 97.5    79.938   0.59    9.91 0.795  0.003  0.4 0.000 1.805  0.00 .12 .40-.00 .13 .64 .02
     0.180    118     12    118     12 97.5    63.878   0.49    9.62 0.678  0.002  0.4 0.000 1.356  0.00 .24 .33-.00 .24 .63 .02
     0.300    115     10    114     11 96.5    63.433   0.44    9.90 0.804  0.017  0.3 0.000 1.534  0.00 .36 .28-.00 .36 .63 .02
     0.420    102      7    102      7 96.1    72.895   0.54    9.77 1.207 -0.000  0.4 0.000 2.413  0.00 .48 .32-.00 .48 .62 .01
     0.540     80      9     80      9 98.8    36.068   0.28   10.13 0.634 -0.022  0.2 0.000 1.267  0.00 .59 .22-.01 .59 .59 .03
     0.660     94     12     93     13 96.8    71.588   0.53    9.67 0.645 -0.008  0.2 0.000 1.249  0.00 .72 .38-.01 .72 .68 .03
     0.780     51      6     51      6100.0    35.395   0.27    9.74 1.567 -0.009  0.2 0.000 3.134  0.00 .84 .28-.01 .84 .64 .03
     0.900     45      6     45      6100.0    47.001   0.34   10.04 0.975  0.017  0.4 0.000 1.950  0.00 .95 .28-.01 .95 .70 .04
     1.020     41      4     41      4100.0    24.663   0.20   10.09 1.487 -0.019  0.4 0.000 2.974  0.00 1.1 .35-.01 1.1 .76 .02
     1.140     35      3     35      3100.0    22.215   0.18   10.17 0.765  0.079  0.2 0.000 1.531  0.00 1.2 .25-.02 1.2 .66 .06
     1.260     28      4     28      4100.0    12.964   0.09    9.99 0.540 -0.021  0.1 0.000 1.080  0.00 1.3 .07-.02 1.3 .64 .04
     1.380    325     52    319     58 99.7    27.591   0.19    9.85 0.659 -0.064  0.2 0.000 1.323  0.00 2.8 .13-.07 3.1 .77 .11
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_22.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     26      5     26      5100.0   -15.261  -0.14    9.33 0.353 -0.091  0.2 0.000 0.705  0.00-.60-2.0-.01 5.6 2.1 .10
    -1.380     11      2     11      2100.0    17.016   0.15    9.29 7.156  0.132  0.1 0.00014.312  0.00-.31-1.3-.00 3.3 1.3 .16
    -1.260     15      2     15      2100.0    -2.315  -0.02   10.21 0.674 -1.438  0.2 0.000 1.348  0.00-.08-1.2 .02 2.7 1.2 .07
    -1.140     26      6     26      6100.0     1.771   0.02    9.43 0.399  1.485  0.2 0.000 0.797  0.00-.58-1.1 .02 3.0 1.1 .09
    -1.020     23      1     23      1100.0    -4.507  -0.04    9.68 0.739 -0.016  0.0 0.000 1.478  0.00 .07-.97-.00 1.9 .97 .02
    -0.900     40      6     40      6100.0    14.669   0.11    9.46 0.394 -0.150  0.1 0.000 0.789  0.00 .07-.84-.01 2.4 .84 .07
    -0.780     41      6     41      6100.0    20.690   0.16    9.69 0.717  0.037  0.2 0.000 1.434  0.00 .14-.72-.02 2.1 .72 .07
    -0.660     55      9     54     10100.0     3.983   0.03    9.91 0.748 -0.608  0.2 0.000 1.502  0.00 .11-.59 .01 1.9 .59 .08
    -0.540     72     12     72     12 98.6    35.712   0.26    9.88 0.513  0.047  0.2 0.000 1.027  0.00 .23-.48 .01 1.9 .48 .06
    -0.420     95     13     95     13 98.9    34.219   0.25    9.79 0.771  0.020  0.2 0.000 1.541  0.00-.04-.36-.00 1.5 .36 .05
    -0.300    122      9    122      9 97.5    51.116   0.37   10.02 1.296 -0.020  0.3 0.000 2.592  0.00 .33-.24-.02 1.9 .24 .07
    -0.180    151     18    151     18 97.4    53.623   0.38   10.07 0.772 -0.000  0.3 0.000 1.545  0.00-.12-.12-.00 1.5 .13 .06
    -0.060    180     17    178     19 97.8    57.622   0.40    9.93 0.676  0.015  0.3 0.000 1.352  0.00 .07 .00-.01 1.6 .04 .06
     0.060    188     13    188     13 96.8    64.693   0.46   10.04 0.776  0.010  0.3 0.000 1.553  0.00-.22 .12 .01 1.4 .13 .06
     0.180    187     25    185     27 97.9    71.264   0.49    9.99 0.674 -0.004  0.2 0.000 1.411  0.00-.06 .24-.00 1.4 .24 .05
     0.300    205      9    205      9 95.6    83.620   0.57   10.08 0.755  0.001  0.2 0.000 1.510  0.00-.14 .36 .01 1.2 .36 .04
     0.420    205     23    205     23 98.0    61.708   0.43    9.96 0.547  0.036  0.3 0.000 1.094  0.00 .07 .48-.00 1.3 .48 .05
     0.540    205     30    203     32 96.1    81.541   0.58    9.73 0.551  0.013  0.3 0.000 1.135  0.00-.12 .60 .00 1.1 .60 .04
     0.660    184     17    184     17 98.9    66.984   0.47    9.81 0.523  0.006  0.2 0.000 1.045  0.00-.17 .72 .01 1.2 .72 .05
     0.780    164     15    163     16 98.2    70.356   0.51    9.84 0.816 -0.024  0.4 0.000 1.709  0.00 .02 .85-.00 1.2 .85 .04
     0.900    111     12    111     12 96.4    77.435   0.54    9.86 0.974 -0.012  0.2 0.000 1.948  0.00-.16 .96 .00 1.3 .96 .04
     1.020    105     14    103     16 97.1    66.814   0.50    9.66 0.583  0.032  0.4 0.000 1.322  0.00-.35 1.1 .01 1.6 1.1 .05
     1.140     85     14     84     15 97.6    43.828   0.32    9.49 0.723 -0.076  0.3 0.000 1.440  0.00-.18 1.2 .01 1.2 1.2 .05
     1.260     46      9     46      9 97.8    50.269   0.35    9.07 0.652 -0.047  0.4 0.000 1.304  0.00-.59 1.3 .01 2.1 1.3 .07
     1.380    100     14    100     14 99.0    40.028   0.31    9.16 0.956 -0.076  0.3 0.000 1.911  0.00-.21 1.6-.01 2.7 1.6 .10
     1.500
 
Integration of char419
 .12_0013   99  0.04  0.02 -0.01  2.14  0.73  0.06 74.001   1   93  0.31   10 0.38 0.38 1.01 1.000
   13_0014   98 -0.27  0.01 -0.00  1.50  0.48  0.05 91.181   1   96  0.31   10 0.38 0.38 1.01 1.000
   14_0015  111 -0.30  0.10  0.01  1.62  0.57  0.05 89.499   1   95  0.27   10 0.38 0.38 1.01 1.000
   15_0016  103  0.15  0.10 -0.01  1.36  0.52  0.05 80.867   1   96  0.29    9 0.38 0.38 1.01 1.000
   16_0017   98 -0.03  0.10 -0.01  1.36  0.48  0.04 93.244   1   97  0.27    9 0.38 0.38 1.01 1.000
   17_0018   99  0.12  0.21 -0.01  1.32  0.58  0.05 86.560   1   90  0.29    9 0.38 0.38 1.01 1.000
   18_0019  105  0.06  0.25 -0.01  1.42  0.58  0.05 97.508   1   92  0.26   10 0.38 0.38 1.01 1.000
   19_0020   94 -0.26  0.30  0.01  1.67  0.59  0.05 95.668   1   93  0.26    9 0.38 0.38 1.01 1.000
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 1: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  8 29 61 78 61 29  8  0    2 11 37 78100 78 37 11  2    0  8 29 61 78 61 29  8  0
  0  6 22 47 61 47 22  6  0    0  8 29 61 78 61 29  8  0    0  6 22 47 61 47 22  6  0
  0  3 11 22 29 22 11  3  0    0  4 14 29 37 29 14  4  0    0  3 11 22 29 22 11  3  0
  0  0  3  6  8  6  3  0  0    0  0  4  8 11  8  4  0  0    0  0  3  6  8  6  3  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  2  0  0  0  0    0  0  0  0  0  0  0  0  0
!Region 1: Section 7->9
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  4 14 29 37 29 14  4  0    0  0  4  8 11  8  4  0  0    0  0  0  0  2  0  0  0  0
  0  3 11 22 29 22 11  3  0    0  0  3  6  8  6  3  0  0    0  0  0  0  0  0  0  0  0
  0  0  5 11 14 11  5  0  0    0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  3  4  3  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  3  4  3  0  0  0    0  0  5 11 14 11  5  0  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
  0  0  0  0  2  0  0  0  0    0  0  4  8 11  8  4  0  0    0  4 14 29 37 29 14  4  0
  0  0  0  0  0  0  0  0  0    0  0  3  6  8  6  3  0  0    0  3 11 22 29 22 11  3  0
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 6: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 7
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 7: Section 1->3
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................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
 
New (refined) XYZ spot spread:    0.367   0.367   1.010
 
Integration ============================= 05/22/12 10:40:14
 
Unsorted reflections will be written to:  /home/ithil/data/char419/work/unsorted.raw
Spatially corrected beam center:   249.13  256.77
No reference intensity correction will be made
Input monochromator 2Th, roll (deg):       0.00    0.00
Input X,Y,Z spot spread (deg):     0.367   0.367   1.010
Scale for orientation update length:   1.000E+00
#Frames running average for orientation update:    6
Frames between full refinements of orientation:   10
N, where every Nth strong spot included in LS:     1
 
LS profile fitting will be used
   to worst resolution of 9999.000 A
   up to I/sigma of          8.000
   unweighted fit
 
Pixel spacing (deg):              0.138
Profile X,Y,Z spacing (deg):      0.138   0.138   0.144
Profile convolver halfwidth:        2.0     2.0     1.0
Profile convolver expansion:      1.876   1.876   1.000
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Background pixels updated =  95.61%                Port, connections:  2000, 1
Integration of char419
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001   54 -0.61 -0.37  0.02  1.47  0.72  0.06 11.171   0  100  0.24    7 0.44 0.31 1.01 1.000
    1_0002  105 -0.03 -0.31  0.01  1.78  0.70  0.07 25.567   0   98  0.27   10 0.44 0.31 1.01 1.000
    2_0003  121 -0.05 -0.39 -0.00  1.45  0.77  0.04 25.355   0   98  0.25    9 0.44 0.31 1.01 1.000
    3_0004   67  0.36 -0.41 -0.01  1.80  0.83  0.06 49.593   0   99  0.27   10 0.44 0.31 1.01 1.000
    4_0005  123 -0.07 -0.25  0.00  1.89  0.74  0.06 36.513   0   98  0.26   10 0.44 0.31 1.01 1.000
    5_0006   89  0.34 -0.23 -0.01  1.37  0.55  0.06 65.398   1   93  0.25   10 0.44 0.31 1.01 1.000
    6_0007   94 -0.55 -0.16  0.01  1.74  0.61  0.05 52.592   0   99  0.24    9 0.44 0.31 1.01 1.000
    7_0008  115 -0.14 -0.20 -0.01  2.08  0.66  0.06 50.508   0   97  0.27   10 0.44 0.31 1.01 1.000
    8_0009   98  0.20 -0.07 -0.01  1.30  0.50  0.06 75.223   1   92  0.30   10 0.44 0.31 1.01 1.000
    9_0010   94 -0.18 -0.15  0.00  1.08  0.60  0.05 62.344   1   96  0.28    9 0.44 0.31 1.01 1.000
 
................
Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
 
Too few reflections for orientation refinement.
A smaller strong-reflection threshold might help.
BG snapshot written to /home/ithil/data/char419/work/bg_snap_23_0001.sfrm
 
I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 1: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 4: Section 1->3
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I/Sigma = 0.00   Thresh = 0.050   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1;   Maximum = 0.0236143;   FM = 1
!Region 5: Section 1->3
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1Bewion
2*0Sustzn4'--)
000000000 0    0 %01!01$31!4 53000000  0 0000000050!10!4011  5  00   0  3     251      2 97.6    84.786   0.61    9.65 0.312  0.002  0.3 0.000 0.624  0.00-.02 .12-.01 1.6 .54 .06
    15.290    236      7    236      7 94.5    94.999   0.70    9.63 0.538  0.020  0.6 0.000 1.076  0.00 .06 .23-.00 1.3 .56 .05
    15.340    235     13    235     13 97.9    69.397   0.51    9.68 0.520  0.019  0.3 0.000 1.039  0.00-.04 .35 .00 1.4 .67 .05
    15.390    300     22    300     22 98.3    58.312   0.44    9.67 0.479  0.018  0.3 0.000 0.958  0.00 .06 .44 .00 1.3 .76 .05
    15.440    199     11    199     11 99.5    37.078   0.28    9.67 0.590  0.012  0.3 0.000 1.179  0.00 .24 .45 .00 1.6 .83 .06
    15.490    188      4    188      4100.0    19.200   0.14    9.83 0.630 -0.002  0.2 0.000 1.260  0.00 .15 .40 .00 1.7 .79 .06
    15.540      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.590      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.640      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.690      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.740      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.790      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.840      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.890      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    15.940
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    22.000   2852     59   2793    118 97.3    68.249   0.50    9.72 0.692  0.000  0.3 0.000 2.153  0.00 .00 .07-.00 1.6 .67 .05
    23.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
    Correl      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   1326     50   1307     69100.0     2.824   0.02    9.79 0.865 -0.302  0.3 0.000 2.098  0.00 .10 .09-.00 1.7 .77 .06
     0.100    445     16    444     17 97.8    86.398   0.63    9.69 0.912 -0.002  0.4 0.000 2.140  0.00-.03 .08-.00 1.5 .71 .06
     0.200    455     16    454     17 96.7   112.718   0.80    9.63 0.492  0.009  0.3 0.000 1.006  0.00-.15 .10-.00 1.3 .58 .05
     0.300    370     12    370     12 91.1   163.167   1.11    9.67 0.512  0.010  0.4 0.000 1.024  0.00-.09 .01-.00 1.2 .48 .05
     0.400    207      3    207      3 91.8   165.367   1.12    9.63 0.468  0.005  0.4 0.000 0.935  0.00-.09 .02-.00 1.4 .39 .06
     0.500     42      0     42      0 95.2   143.082   0.98    9.65 0.000  0.000  0.0 0.000 0.000  0.00 .01-.01 .00 1.3 .44 .05
     0.600      7      0      7      0100.0    79.283   0.48    9.21 0.000  0.000  0.0 0.000 0.000  0.00 1.1 .29-.01 3.0 .37 .09
     0.700      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.800      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.900      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
    Frac Z      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000    335     11    334     12 99.1    69.409   0.44    9.77 0.486  0.009  0.4 0.000 1.065  0.00 .33 .02-.01 2.1 .61 .10
     0.050    100      2    100      2 94.0   111.423   0.66    9.52 2.150 -0.001  0.2 0.000 4.300  0.00 .50 .07-.00 2.0 .67 .09
     0.100    100      4    100      4 99.0    47.133   0.29    9.82 1.473  0.009  0.2 0.000 2.945  0.00 1.3 .03 .01 2.1 .61 .05
     0.150     59      2     59      2100.0    31.072   0.20    9.62 1.023 -0.027  0.3 0.000 2.046  0.00 2.0 .04 .01 2.6 .64 .04
     0.200    149      7    149      7 96.0    82.813   0.63    9.72 0.597  0.007  0.3 0.000 1.194  0.00 .61 .25 .00 1.7 .76 .00
     0.250    123      6    123      6 97.6    57.799   0.50    9.73 0.442  0.020  0.3 0.000 0.884  0.00 .07 .17 .00 1.4 .74 .00
     0.300    159      5    159      5 96.2    71.103   0.61    9.69 0.519 -0.001  0.3 0.000 1.038  0.00-.01 .04 .00 .80 .68 .00
     0.350    144      1    143      2 94.4    76.243   0.64    9.67 0.257  0.000  0.1 0.000 0.691  0.00 .05 .10 .00 .68 .67 .00
     0.400    142     11    142     11 99.3    63.036   0.54    9.76 1.410 -0.037  0.4 0.000 2.819  0.00 .05 .01 .00 .74 .62 .00
     0.450    143     10    143     10 97.9    62.435   0.54    9.54 0.959 -0.002  0.3 0.000 1.919  0.00 .10 .16 .00 .76 .69 .00
     0.500    155      6    154      7 98.1    54.124   0.46    9.73 0.716  0.001  0.4 0.000 2.037  0.00 .02-.01 .00 .76 .67 .00
     0.550    137      7    136      8 95.6    70.014   0.60    9.67 0.694 -0.004  0.4 0.000 1.488  0.00-.05 .10 .00 .70 .70 .00
     0.600    166      8    166      8 95.2    61.656   0.53    9.87 0.769 -0.014  0.2 0.000 1.538  0.00-.13 .12 .00 .79 .69 .00
     0.650    115      6    115      6 93.9    87.277   0.73    9.78 0.522  0.005  0.3 0.000 1.044  0.00-.04-.00 .00 .79 .64 .00
     0.700    147      8    147      8 98.0    61.441   0.54    9.76 1.570 -0.024  0.4 0.000 3.139  0.00 .06 .10 .00 .75 .71 .00
     0.750    112      1    112      1 98.2    58.515   0.46    9.70 0.808 -0.009  0.4 0.000 1.616  0.00-.65 .16 .00 1.7 .72 .00
     0.800     85      4     85      4100.0    44.218   0.28    9.72 1.079 -0.033  0.4 0.000 2.158  0.00-1.9 .17-.01 2.7 .85 .06
     0.850     83      2     83      2 98.8    61.870   0.39    9.65 0.221 -0.002  0.1 0.000 0.443  0.00-.98 .03-.02 1.9 .69 .06
     0.900    123      5    123      5 96.7    90.503   0.55    9.57 0.803  0.015  0.3 0.000 1.607  0.00-.92 .03 .01 1.8 .62 .07
     0.950    275      8    275      8 97.8    73.557   0.47    9.82 0.447  0.014  0.3 0.000 0.894  0.00-.28 .03 .01 2.0 .59 .10
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
   PeakCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.861      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.723      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     7.445      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    14.891      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    29.781      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    59.562      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   119.125      7      0      7      0100.0   -33.683  -0.26   10.14 0.000  0.000  0.0 0.000 0.000  0.00 .42 .20 .00 .89 .68 .00
   238.250   1625     50   1600     75 96.9    67.120   0.56    9.73 0.762 -0.005  0.3 0.000 2.251  0.00-.01 .09 .00 .75 .67 .00
   476.500   1220     34   1211     43 97.8    70.337   0.45    9.70 0.604  0.006  0.3 0.000 1.248  0.00 .02 .05-.00 2.2 .67 .08
   953.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
   BgndCts      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.243      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     2.486      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     3.729      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     4.972      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     6.216     36      0     36      0 83.3   171.611   1.06    7.22 0.000  0.000  0.0 0.000 0.000  0.00-.13 .32-.01 .82 .78 .03
     7.459    587     20    584     23 94.5   105.356   0.72    8.24 0.525  0.004  0.4 0.000 1.124  0.00-.09 .12-.00 1.6 .75 .05
     8.702   1026     44   1012     58 97.4    66.080   0.50    9.33 0.882 -0.010  0.4 0.000 2.278  0.00-.07 .08 .00 1.6 .70 .05
     9.945    839     32    837     34 98.8    50.052   0.38   10.55 0.596  0.010  0.2 0.000 1.226  0.00 .11 .03-.00 1.5 .61 .06
    11.188    364      3    364      3 99.5    46.241   0.35   11.55 0.554  0.001  0.2 0.000 1.108  0.00 .15 .06-.01 1.4 .57 .05
    12.431
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
      ErrX      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500    353     20    352     21 99.4    43.846   0.31    9.70 0.943 -0.008  0.3 0.000 1.924  0.00-2.6 .06 .06 2.9 .80 .10
    -1.380     40      0     40      0 95.0    67.635   0.44    9.75 0.000  0.000  0.0 0.000 0.000  0.00-1.3-.04 .02 1.3 .50 .05
    -1.260     55      1     55      1 98.2    54.971   0.37    9.35 0.142 -0.001  0.0 0.000 0.284  0.00-1.2 .06 .02 1.2 .55 .04
    -1.140     53      6     53      6 98.1    56.097   0.42    9.31 1.072 -0.071  0.5 0.000 2.144  0.00-1.1-.02 .01 1.1 .61 .03
    -1.020     70      2     70      2 98.6    66.050   0.49    9.53 0.608  0.018  0.3 0.000 1.215  0.00-.96-.04 .00 .96 .69 .01
    -0.900     74      4     74      4 91.9   107.570   0.78    9.66 0.893  0.008  0.5 0.000 1.787  0.00-.84 .09 .01 .84 .56 .03
    -0.780     90      3     90      3 94.4   127.309   0.82    9.51 0.533  0.010  0.3 0.000 1.066  0.00-.72-.10 .00 .72 .58 .02
    -0.660    107      1    107      1 94.4    97.290   0.70    9.79 0.345 -0.001  0.1 0.000 0.691  0.00-.59 .07 .00 .59 .57 .02
    -0.540    110      5    110      5 95.5    91.578   0.67    9.55 0.506 -0.005  0.2 0.000 1.013  0.00-.48 .03 .00 .48 .63 .02
    -0.420    134      3    134      3 91.8   119.039   0.90    9.62 0.988 -0.001  0.4 0.000 1.977  0.00-.36 .05 .00 .36 .62 .02
    -0.300    140      2    140      2 96.4    89.245   0.68    9.73 0.682 -0.003  0.4 0.000 1.364  0.00-.24 .05-.00 .24 .67 .01
    -0.180    132      7    132      7 96.2   107.562   0.78    9.75 0.674 -0.001  0.4 0.000 1.348  0.00-.12-.01-.00 .12 .61 .02
    -0.060    161      8    161      8 95.0    95.558   0.71    9.66 0.570  0.003  0.5 0.000 1.140  0.00 .00 .08-.00 .04 .63 .02
     0.060    139      2    139      2 95.7    96.554   0.73    9.64 1.156 -0.004  0.8 0.000 2.311  0.00 .12 .19-.00 .12 .64 .02
     0.180    137      9    137      9 96.4    73.646   0.56    9.76 0.423  0.001  0.2 0.000 0.846  0.00 .24 .09-.00 .24 .64 .01
     0.300    116     11    116     11 97.4    67.935   0.53    9.67 0.823  0.030  0.3 0.000 1.647  0.00 .36-.02-.01 .36 .62 .02
     0.420    107      3    107      3 98.1    71.962   0.53    9.90 0.536  0.008  0.2 0.000 1.073  0.00 .48 .13-.00 .48 .61 .02
     0.540     99      5     99      5 97.0    60.837   0.46    9.84 0.936 -0.024  0.3 0.000 1.873  0.00 .60 .23-.01 .60 .75 .04
     0.660     90      3     90      3100.0    55.448   0.44    9.98 0.307  0.000  0.1 0.000 0.613  0.00 .72 .19-.01 .72 .62 .03
     0.780     66      4     66      4100.0    39.879   0.31    9.74 0.891 -0.025  0.3 0.000 1.782  0.00 .84 .14-.01 .84 .64 .03
     0.900     65      2     65      2100.0    29.636   0.25    9.68 0.523  0.013  0.1 0.000 1.047  0.00 .96 .27-.01 .96 .73 .03
     1.020     51      0     51      0100.0    43.802   0.32    9.88 0.000  0.000  0.0 0.000 0.000  0.00 1.1 .30-.01 1.1 .68 .03
     1.140     45      0     45      0100.0    48.129   0.35    9.92 0.000  0.000  0.0 0.000 0.000  0.00 1.2 .11-.02 1.2 .48 .04
     1.260     44      1     44      1100.0    29.265   0.21    9.94 0.256 -0.006  0.1 0.000 0.513  0.00 1.3 .11-.02 1.3 .77 .05
     1.380    374     14    373     15100.0    20.220   0.15    9.85 0.564  0.010  0.3 0.000 1.120  0.00 2.6 .05-.06 2.9 .74 .10
     1.500
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_23.raw)
      ErrY      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -1.500     48      2     48      2100.0    -3.086  -0.03    9.35 0.508 -0.024  0.1 0.000 1.016  0.00-.51-1.6-.01 3.3 1.6 .06
    -1.380     21      1     21      1 90.5    79.101   0.65    9.08 0.519  0.020  0.3 0.000 1.037  0.00-.22-1.3 .00 1.5 1.3 .08
    -1.260     28      1     28      1 96.4    22.528   0.20    9.7613.975 -0.185  1.1 0.00027.949  0.00-.36-1.2 .00 2.2 1.2 .09
    -1.140     41      4     41      4100.0    37.522   0.30    9.62 0.883 -0.050  0.4 0.000 1.766  0.00-.35-1.1 .00 1.7 1.1 .07
    -1.020     61      5     61      5100.0    55.063   0.42    9.63 1.371 -0.035  0.3 0.000 2.741  0.00 .16-.96 .01 1.6 .96 .06
    -0.900     80      3     80      3 98.8    39.695   0.31    9.59 0.652  0.019  0.2 0.000 1.303  0.00 .15-.85 .00 1.5 .85 .05
    -0.780    108      4    108      4 99.1    43.268   0.34    9.78 0.860  0.017  0.2 0.000 1.720  0.00-.14-.72 .00 1.3 .72 .05
    -0.660    110      8    110      8 96.4    60.571   0.47    9.79 1.274 -0.039  0.5 0.000 2.548  0.00 .23-.60-.01 1.5 .60 .06
    -0.540    154      7    154      7 98.1    76.376   0.56    9.86 0.697 -0.000  0.3 0.000 1.394  0.00-.13-.48 .00 1.4 .48 .06
    -0.420    155      5    155      5 96.1    76.946   0.56    9.92 1.700 -0.002  0.3 0.000 3.400  0.00-.05-.36-.00 1.3 .36 .05
    -0.300    191      5    191      5 94.2   100.132   0.71    9.73 0.572  0.009  0.3 0.000 1.144  0.00-.14-.23 .00 1.3 .24 .05
    -0.180    192      6    192      6 96.9    81.762   0.57    9.90 1.225 -0.010  0.3 0.000 2.450  0.00 .08-.12-.01 1.5 .13 .06
    -0.060    230      9    230      9 97.0    70.521   0.52    9.91 0.670 -0.002  0.2 0.000 1.339  0.00 .02 .00-.01 1.2 .04 .05
     0.060    197      4    197      4 97.5    86.054   0.59    9.79 0.669  0.007  0.6 0.000 1.337  0.00 .04 .12 .00 1.3 .12 .05
     0.180    183      6    183      6 96.7    78.068   0.55    9.70 0.635  0.003  0.4 0.000 1.271  0.00 .06 .24-.00 1.5 .24 .04
     0.300    162      4    162      4 97.5    76.363   0.57    9.85 0.561  0.004  0.3 0.000 1.121  0.00 .03 .36 .00 1.3 .36 .05
     0.420    179      9    179      9 97.8    64.518   0.47    9.74 0.426  0.018  0.4 0.000 0.853  0.00-.12 .48 .01 1.5 .48 .05
     0.540    179      9    179      9 98.9    63.285   0.47    9.59 0.470  0.008  0.3 0.000 0.940  0.00 .01 .60 .00 1.5 .60 .05
     0.660    134      5    134      5 98.5    60.199   0.44    9.68 0.817 -0.014  0.4 0.000 1.634  0.00 .16 .72 .00 1.4 .72 .05
     0.780     98      2     98      2 98.0    77.491   0.57    9.66 0.345 -0.000  0.1 0.000 0.690  0.00-.03 .84 .00 1.4 .84 .05
     0.900     84      4     84      4 91.7    96.730   0.73    9.40 0.377  0.004  0.2 0.000 0.753  0.00 .19 .96-.00 1.4 .96 .04
     1.020     68      3     68      3 97.1    54.517   0.40    9.55 0.341 -0.009  0.1 0.000 0.683  0.00 .26 1.1-.01 1.6 1.1 .07
     1.140     50      2     50      2 98.0    36.153   0.27    9.68 0.753 -0.034  0.3 0.000 1.506  0.00 .41 1.2-.02 1.9 1.2 .07
     1.260     35      4     35      4100.0    34.387   0.26    9.43 0.492  0.001  0.3 0.000 0.984  0.00 .08 1.3 .00 2.1 1.3 .08
     1.380     64      6     64      6100.05 0.262  0.98-.05-.07 .00 1.2 .60 .05
    60.000   5431   2661   2819   5428 85.7   375.220   2.25   11.99 0.235  0.036  0.5 0.214 0.244  0.95-.04-.06-.00 1.2 .62 .05
    90.000   7210   3476   3709   7203 85.8   321.463   1.97   11.43 0.272  0.027  1.9 0.259 0.248  0.96-.01-.08-.00 1.3 .62 .05
   120.000   8632   3966   4239   8623 85.4   362.359   2.22   11.17 0.249  0.013  1.1 0.220 0.257  0.97-.03-.07 .00 1.3 .65 .05
   150.000   9383   4384   4696   9369 85.0   337.322   2.10   10.47 0.265  0.011  0.8 0.224 0.262  1.04-.02-.08-.00 1.3 .67 .05
   180.000  10316   4849   5224  10303 83.8   353.574   2.27   10.03 0.267  0.004  0.6 0.210 0.279  1.02-.05-.09-.00 1.4 .72 .05
   210.000  10551   4849   5242  10510 83.6   292.644   1.92    9.33 0.313 -0.022  0.7 0.269 0.302  0.97-.04-.07-.00 1.5 .76 .06
   240.000   7800   3909   4251   7760 82.6   343.625   2.28    8.84 0.276 -0.037  0.7 0.236 0.310  0.92-.12-.06 .00 1.6 .82 .06
   270.000   5261   2454   2677   5252 81.9   327.331   2.24    8.12 0.292 -0.063  0.7 0.249 0.294  0.99-.10-.09 .00 1.8 .94 .06
   300.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
   Quadrnt      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000  15925   4985   5497  15864 87.9   202.428   1.50   10.29 0.334  0.041  1.4 0.325 0.273  0.98 .02-.07-.00 1.8 .76 .06
     2.000  18688   4352   4774  18661 81.6   434.062   2.44   10.27 0.258 -0.026  0.7 0.211 0.227  1.19-.09-.11-.00 1.1 .71 .05
     3.000  16162   5186   5417  16118 85.5   311.459   2.30   10.58 0.235  0.035  0.7 0.193 0.253  1.08 .01-.04-.00 1.7 .72 .06
     4.000  18312   4210   4398  18306 83.1   355.213   2.00    9.99 0.294 -0.015  0.6 0.264 0.226  1.09-.11-.07 .00 1.1 .69 .05
     5.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
    Region      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000  10657   3540   3813  10651 85.8   313.641   1.88   11.93 0.270  0.041  0.5 0.253 0.234  1.02-.04-.06 .00 1.2 .61 .05
     2.000   6850   2374   2551   6846 80.8   425.886   2.24   10.12 0.295 -0.037  0.8 0.254 0.248  1.05-.14-.09-.00 1.0 .66 .04
     3.000   9297   3080   3400   9283 80.4   466.419   2.60    9.78 0.251 -0.041  0.7 0.198 0.247  1.20-.11-.13-.00 1.1 .73 .05
     4.000   6418   2779   3083   6400 84.0   329.665   2.13   10.28 0.255  0.020  0.6 0.215 0.233  1.13-.01-.09-.00 1.4 .78 .06
     5.000   7481   3214   3532   7458 88.9   171.407   1.35    9.77 0.343  0.073  0.5 0.343 0.307  0.89 .03-.08-.00 2.0 .82 .06
     6.000   5559   2551   2759   5513 88.1   214.007   1.73   10.45 0.351  0.002  3.7 0.320 0.289  0.99 .04-.05-.00 1.9 .61 .06
     7.000   7658   3383   3455   7634 85.5   336.910   2.63   10.16 0.209  0.036  0.5 0.165 0.252  1.10-.01-.04-.00 1.9 .78 .06
     8.000   6239   2788   2836   6238 83.9   310.296   2.03   10.15 0.273  0.028  0.6 0.225 0.233  1.03-.04-.06 .00 1.3 .76 .05
     9.000   8928   2914   3006   8926 83.0   355.515   1.98    9.38 0.299 -0.042  0.6 0.274 0.248  1.05-.13-.06-.00 1.1 .71 .05
    10.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
    -0.170   5896   4073   4080   5891 87.8   248.772   1.57   10.18 0.343  0.021  0.6 0.294 0.299  0.89-.06-.11-.00 1.5 .71 .05
     2.595   5803   3979   3983   5800 86.5   262.714   1.69   10.23 0.320  0.003  0.6 0.268 0.287  0.90-.06-.15-.00 1.4 .72 .05
     5.361   6081   3889   3913   6072 87.0   254.612   1.61   10.19 0.328  0.031  0.5 0.290 0.253  0.86-.02-.12-.00 1.5 .71 .06
     8.126   5323   3214   3239   5318 87.2   279.573   1.79   10.11 0.297  0.023  1.0 0.260 0.236  0.93-.08-.08 .00 1.5 .67 .06
    10.892   4635   2766   2795   4627 87.4   265.275   1.74   10.18 0.291  0.019  0.5 0.256 0.242  0.89-.15-.06 .00 1.5 .66 .06
    13.657   4519   2976   2985   4517 88.1   275.781   1.89   10.11 0.277 -0.022  0.6 0.255 0.263  0.88-.08-.06-.00 1.4 .67 .05
    16.423   4632   3250   3286   4627 87.5   276.458   1.86   10.15 0.277 -0.019  0.5 0.243 0.278  0.85-.04-.06-.00 1.5 .70 .05
    19.188   4085   2982   3102   4063 85.4   313.004   1.99   10.05 0.271  0.015  0.6 0.268 0.267  0.88-.05-.03-.00 1.5 .74 .06
    21.954   3855   2800   2972   3849 84.1   320.687   2.01   10.08 0.293  0.016  1.5 0.287 0.284  0.99-.03-.04-.00 1.5 .74 .06
    24.719   3545   2530   2836   3533 82.5   337.155   2.16   10.09 0.293  0.013  1.1 0.269 0.279  1.09-.03-.05-.00 1.4 .74 .05
    27.485   2997   2080   2472   2986 81.1   343.583   2.16   10.21 0.282  0.015  0.7 0.241 0.268  1.15 .10-.06-.00 1.4 .73 .05
    30.250   2904   1928   2352   2897 80.1   444.271   2.72   10.47 0.230  0.004  0.7 0.179 0.244  1.19 .01-.06 .00 1.5 .73 .05
    33.016   2866   1839   2235   2855 81.5   367.299   2.25   10.43 0.263 -0.019  0.6 0.206 0.261  1.26 .01-.05-.00 1.5 .73 .06
    35.781   2719   1824   2151   2707 80.8   390.211   2.38   10.44 0.261 -0.033  0.7 0.209 0.283  1.20-.09-.09-.00 1.4 .75 .05
    38.547   2268   1597   1889   2260 77.4   488.819   2.95   10.61 0.240 -0.034  1.1 0.184 0.255  1.25 .01-.08 .00 1.4 .77 .05
    41.312   2322   1807   1967   2314 77.4   479.780   2.79   10.65 0.221 -0.012  0.7 0.188 0.230  1.09-.07-.07 .00 1.4 .77 .05
    44.078   2314   1890   1945   2310 77.8   477.371   2.75   10.66 0.240 -0.040  4.2 0.215 0.238  1.06-.05-.04-.00 1.4 .77 .06
    46.843   1969   1648   1648   1969 81.9   397.356   2.33   10.44 0.258 -0.035  0.6 0.228 0.262  1.09-.12 .01-.00 1.4 .79 .05
    49.609    274    270    270    274 57.3  1548.794  10.34   13.54 0.127  0.000  1.9 0.104 0.169  1.35 .05 .17-.00 .73 .68 .01
    52.374     80     79     79     80  5.0  5150.491  41.00   22.24 0.067  0.026  2.4 0.030 0.119  1.82 .07 .00-.00 .20 .15 .03
    55.140
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
   Rot.Ang      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   4467   3189   3248   4465 87.0   264.746   1.73   10.00 0.285  0.019  0.5 0.256 0.265  0.88-.11-.07 .00 1.5 .70 .05
    10.000   4055   2913   3035   4052 84.8   323.426   2.10   10.14 0.266  0.031  0.6 0.233 0.265  0.94-.01-.05-.00 1.4 .70 .05
    20.000   3700   2644   2851   3692 84.6   333.267   2.13   10.11 0.269  0.036  0.5 0.240 0.271  1.05-.01-.05-.00 1.5 .72 .05
    30.000   3169   2141   2465   3163 83.0   329.962   2.09   10.19 0.266  0.039  0.6 0.239 0.302  1.12 .02-.02-.00 1.3 .71 .05
    40.000   2596   1763   2192   2591 79.4   411.179   2.51   10.31 0.236  0.024  0.6 0.184 0.259  1.24 .01-.05-.00 1.4 .72 .05
    50.000   2408   1517   2002   2398 84.9   329.831   2.05   10.30 0.289 -0.028  1.1 0.217 0.273  1.12 .01-.02 .00 1.4 .75 .05
    60.000   2383   1527   1992   2371 86.2   332.521   2.06   10.53 0.304 -0.056  4.1 0.219 0.292  1.22-.01-.04-.00 1.5 .78 .06
    70.000   1984   1363   1655   1975 93.0   183.706   1.13   10.27 0.472 -0.155  0.7 0.406 0.425  0.96-.02-.05-.00 1.6 .82 .05
    80.000   1644   1320   1458   1643 91.7   318.409   1.89   10.73 0.329 -0.094  0.7 0.280 0.311  0.99-.10-.06 .00 1.6 .87 .06
    90.000   1613   1355   1456   1613 91.8   285.374   1.70   10.54 0.346 -0.089  0.7 0.291 0.292  0.88-.06-.06 .00 1.6 .86 .06
   100.000   1565   1391   1412   1564 92.6   258.599   1.56   10.23 0.378 -0.109  0.7 0.377 0.286  0.77-.08-.06-.00 1.5 .86 .06
   110.000   1275   1137   1137   1275 95.9    75.520   0.51    9.74 0.844 -0.286  0.6 0.836 0.537  0.58-.07-.14 .00 1.6 .76 .05
   120.000    590    557    557    590 97.3    49.005   0.35    9.71 0.962 -0.926  0.5 0.913 0.680  0.59-.06-.01 .00 1.6 .77 .05
   130.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   140.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   150.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   160.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   170.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   180.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   190.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   200.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   210.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
   220.000    145    145    145    145 27.6  1237.566   6.97   11.28 0.128 -0.011  0.9 0.037 0.199  1.74-.07 .10-.01 .50 .42 .03
   230.000    471    433    435    469 31.4  1114.674   6.41   10.96 0.139  0.009  0.9 0.061 0.200  1.77-.03-.07-.00 .47 .36 .03
   240.000    481    441    441    481 28.5  1325.809   7.69   11.95 0.127 -0.005  1.2 0.072 0.182  1.76-.01 .05-.00 .46 .36 .03
   250.000    616    574    574    616 35.6  1206.215   7.18   11.82 0.133 -0.001  1.4 0.075 0.192  1.64-.01 .02-.00 .58 .45 .04
   260.000    889    879    879    889 44.2  1272.795   6.97   12.05 0.125  0.022  0.9 0.064 0.188  1.53-.03-.12-.00 .80 .56 .03
   270.000   1108    977    977   1108 53.7   920.593   4.59   11.44 0.168  0.049  0.8 0.105 0.201  1.39-.03-.26-.00 .94 .76 .05
   280.000   2461   2044   2047   2461 77.4   471.719   2.69   10.46 0.255  0.038  1.7 0.203 0.236  1.04-.08-.13-.00 1.3 .74 .05
   290.000   4657   3183   3192   4652 87.8   240.500   1.52   10.24 0.354  0.011  0.6 0.349 0.281  0.82-.01-.14-.00 1.4 .74 .05
   300.000   4544   3048   3066   4529 87.0   269.364   1.70   10.23 0.315 -0.001  0.6 0.331 0.258  0.77-.06-.14 .00 1.5 .73 .06
   310.000   4660   2869   2913   4639 87.6   282.259   1.86   10.28 0.290  0.011  0.5 0.274 0.234  0.81-.04-.09-.00 1.4 .70 .05
   320.000   4389   2515   2557   4376 86.8   273.306   1.79   10.16 0.278  0.005  0.5 0.264 0.224  0.93-.09-.07 .00 1.5 .69 .06
   330.000   4211   2409   2439   4192 87.3   253.917   1.71   10.06 0.317 -0.011  0.9 0.299 0.253  0.90-.14-.05 .00 1.5 .66 .05
   340.000   4476   2779   2786   4472 87.4   270.380   1.79   10.07 0.291 -0.003  1.4 0.255 0.258  0.94-.11-.05-.00 1.5 .68 .06
   350.000   4530   3101   3116   4528 88.3   228.003   1.51    9.96 0.329  0.004  0.5 0.299 0.289  0.86-.03-.07-.00 1.4 .70 .05
   360.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
     Hours      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   3894   2950   3041   3886 82.2   252.705   1.27    9.89 0.558  0.477  0.7 0.527 0.302  0.71-.16-.24-.00 1.4 .84 .05
     0.776   3663   3264   3398   3635 53.5   756.678   4.15   10.65 0.172  0.054  0.8 0.136 0.213  1.33-.05-.21 .00 .92 .68 .04
     1.552   3591   3183   3210   3589 47.2   830.789   4.07   10.54 0.180  0.077  0.8 0.144 0.213  1.32-.02-.18-.00 .80 .68 .04
     2.328   3325   2318   2737   3320 80.1   330.014   1.27    9.75 0.518  0.294  0.7 0.493 0.288  0.84-.09-.08-.00 1.1 .99 .05
     3.104   3650   3264   3269   3646 99.0    40.874   0.26    9.83 1.101 -1.194  0.5 0.994 0.802  0.60-.02-.22 .00 1.7 .80 .06
     3.880   3848   2399   3019   3841 97.4    61.809   0.43    9.84 0.791 -0.265  0.5 0.774 0.701  0.75-.04 .10-.00 1.6 .70 .06
     4.656   3342   2664   2689   3321 36.9  1054.684   6.12   11.08 0.130 -0.032  0.9 0.085 0.210  1.56-.00 .04-.00 .77 .56 .04
     5.432   3544   3121   3172   3528 73.6   471.216   3.01   10.40 0.191 -0.004  0.6 0.159 0.263  1.03-.03-.15-.00 1.3 .62 .05
     6.208   3802   3374   3480   3797 96.0    80.658   0.58    9.93 0.609  0.002  0.4 0.638 0.653  0.68-.11 .24 .00 1.5 .70 .06
     6.984   1726   1211   1220   1726 56.5  1997.913  15.71   15.35 0.107 -0.014  6.3 0.065 0.183  1.22-.10-.23 .00 1.1 .58 .05
     7.760   1768   1203   1211   1768 41.5  2175.743  13.87   15.59 0.102  0.005  6.8 0.058 0.198  1.32-.03-.21-.00 .83 .65 .05
     8.536   3629   2982   2991   3623 98.0    65.323   0.45    9.80 0.675 -0.225  0.4 0.656 0.588  0.56-.09-.19 .00 1.6 .70 .06
     9.312   3666   2100   2673   3657 99.3    18.283   0.13    9.88 1.407 -3.094  0.6 1.248 1.305  0.79 .00 .18 .00 1.8 .74 .06
    10.088   3666   3007   3329   3663 97.5    73.575   0.54    9.75 0.597 -0.053  0.4 0.585 0.632  0.63-.01-.02-.00 1.5 .68 .06
    10.864   3537   2991   3392   3523 95.8    77.139   0.56    9.83 0.598 -0.022  0.4 0.526 0.598  0.64-.02 .01-.00 1.6 .66 .05
    11.640   3582   2962   3029   3581 99.5    32.295   0.23    9.74 1.182 -1.577  0.5 1.078 1.091  0.68-.00-.35-.00 1.6 .76 .06
    12.416   3736   3162   3166   3735 96.9    67.106   0.46    9.77 0.702 -0.282  0.4 0.639 0.677  0.59-.04-.13-.00 1.6 .72 .06
    13.192   3685   3085   3170   3681 98.9    35.393   0.26    9.72 1.161 -1.306  0.5 1.066 1.096  0.69-.05-.29-.00 1.6 .73 .06
    13.968   3692   2761   2770   3691 97.5    62.400   0.47    9.85 0.708 -0.305  0.4 0.691 0.676  0.58-.11 .15 .00 1.6 .69 .06
    14.744   3741   2857   3125   3738 96.7    74.866   0.55    9.71 0.570 -0.033  0.4 0.559 0.653  0.64 .00 .13-.00 1.6 .67 .06
    15.520
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
    Batch#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.000   5201   3544   3710   5193 83.1   243.899   1.23    9.88 0.547  0.453  0.7 0.523 0.322  0.73-.16-.32 .00 1.4 .89 .05
     2.000   4844   2805   2881   4814 34.8  1040.954   5.94   10.97 0.124  0.016  0.8 0.085 0.205  1.54-.00-.02 .00 .57 .40 .03
     3.000   4643   2559   2978   4638 80.1   333.687   1.27    9.78 0.531  0.323  0.7 0.482 0.278  0.82-.09-.14-.00 1.1 1.0 .05
     4.000   2449   2275   2280   2445 99.2    38.516   0.25    9.83 1.030 -1.029  0.5 0.876 0.816  0.62-.02-.29 .00 1.7 .76 .06
     5.000   5121   3047   3667   5114 97.8    52.811   0.37    9.85 0.924 -0.561  0.5 0.933 0.709  0.69-.03 .03-.00 1.6 .72 .06
     6.000   4242   2503   2570   4205 29.8  1183.565   6.69   11.24 0.115 -0.006  0.9 0.075 0.202  1.70-.02 .04-.00 .55 .50 .03
     7.000   2112   2072   2081   2112 96.9    75.422   0.52    9.88 0.788 -0.356  0.5 0.675 0.654  0.63-.01-.32-.00 1.5 .71 .05
     8.000   4986   3547   3654   4981 96.8    73.918   0.53    9.92 0.646 -0.083  0.4 0.652 0.657  0.68-.12 .12 .00 1.5 .72 .06
     9.000   1603    295    303   1603  4.9  4324.150  36.85   22.06 0.087 -0.002 13.7 0.048 0.147  1.88-.01 .02-.00 .20 .18 .04
    10.000    952    952    952    952 73.1   330.709   1.74    9.97 0.316  0.034  0.6 0.218 0.388  0.99-.04-.42-.00 1.1 .87 .05
    11.000   2051   2014   2021   2046 98.8    52.313   0.35    9.77 0.819 -0.564  0.4 0.752 0.630  0.52-.09-.28 .00 1.6 .73 .06
    12.000   5023   3024   3598   5014 98.7    35.359   0.25    9.86 1.058 -1.156  0.5 0.954 0.903  0.74-.03 .11 .00 1.7 .73 .06
    13.000    866    863    866    864 96.8    83.492   0.63    9.95 0.557  0.056  0.4 0.527 0.557  0.58 .08-.29-.00 1.4 .65 .06
    14.000   3767   2894   3487   3753 98.1    60.183   0.44    9.77 0.715 -0.233  0.4 0.672 0.755  0.70-.01 .12-.00 1.6 .70 .06
    15.000   1056   1048   1056   1056 94.6    90.204   0.71    9.70 0.426  0.031  0.3 0.415 0.556  0.58-.12-.06-.00 1.5 .60 .05
    16.000   3854   3028   3096   3852 97.5    56.222   0.41    9.78 0.859 -0.431  0.5 0.762 0.977  0.70-.00-.24-.00 1.6 .71 .06
    17.000   1073   1069   1073   1072 99.1    45.758   0.30    9.76 0.911 -0.881  0.4 0.845 0.659  0.50-.06-.31-.00 1.6 .77 .05
    18.000   2858   2530   2532   2857 98.4    51.883   0.35    9.71 0.845 -0.657  0.4 0.782 0.774  0.61 .01-.34-.00 1.6 .74 .06
    19.000   4953   3540   3627   4949 97.7    50.521   0.37    9.78 0.923 -0.635  0.5 0.    102     66     66    102 12.7  5419.437  35.54   19.98 0.153 -0.003  5.5 0.059 0.200  2.59-.09-.02-.00 .37 .61 .07
     6.000     37     30     30     37  2.7  6784.372  43.34   26.39 0.148 -0.034  6.4 0.071 0.221  2.67-.02-.06-.00 .18 .34 .01
     7.000     35     25     25     35  2.9  7709.161  57.65   26.38 0.130  0.023  7.5 0.040 0.195  1.69 .03 .00-.01 .15 .10 .07
     8.000     19     16     16     19 15.8  4247.038  35.76   23.27 0.236 -0.069  8.5 0.155 0.302  1.03-.07-.12-.01 .35 .77 .05
     9.000     10      8      8     10 10.0  5714.111  46.44   23.18 0.202  0.130  9.4 0.100 0.243  0.99-.02 .02-.03 .16 .07 .09
    10.000     11      8      8     11  9.1  9852.589  67.14   29.34 0.155  0.057 10.4 0.097 0.207  0.99-.03-.08 .01 .16 .46 .03
    11.000      5      5      5      5 20.0  7342.875  66.34   24.11 0.171  0.004 11.4 0.147 0.195  1.06-.03 .10-.00 .05 .18 .02
    12.000      4      4      4      4 25.0  9169.484  81.79   32.74 0.151  0.123 12.3 0.151 0.303  0.90-.15 .24 .00 .32 .46 .00
    13.000      3      3      3      3  0.0  9081.633  87.16   36.70 0.155  0.155 13.6 0.090 0.271  0.84 .00 .00 .08 .03 .03 .13
    14.000      2      2      2      2 50.0  7128.028  68.84   19.21 0.212  0.130 14.4 0.071 0.283  0.72 .46 .17 .00 .50 .17 .00
    15.000      2      2      2      2 50.0  4000.573  63.14   17.90 0.244  0.028 15.4 0.297 0.372  0.96-.35 .24-.10 .48 .33 .14
    16.000      2      2      2      2 50.0  9249.862  76.13   26.81 0.220  0.090 16.7 0.074 0.330  0.93 .35 .43 .05 .52 .62 .07
    17.000      1      1      1      1  0.0 17878.500 131.94   40.86 0.130  0.130 17.1 0.265 0.316  0.91-.02 .01 .00 .02 .01 .00
    18.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    19.000      2      2      2      2  0.0 14061.700  89.11   32.49 0.220  0.220 19.6 0.292 0.145  0.40-.05-.03 .00 .06 .03 .00
    20.000      1      1      1      1  0.0 18417.801 133.75   43.81 0.155  0.155 20.7 0.020 0.306  0.91 .08 .12 .00 .08 .12 .00
    21.000      7      7      7      7 71.4  3765.159  52.31   16.48 0.405  0.087 21.3 0.416 0.144  0.35-.28 .06 .04 1.0 .66 .11
    22.000      1      1      1      1  0.0 19506.500 112.62   43.69 0.202  0.202 22.8 0.037 0.289  0.91-.03 .03 .00 .03 .03 .00
    23.000      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
    24.000     36     28     28     36 86.1  1295.849  41.13   11.33 2.813 -2.407525.4 2.548 1.680  0.70 .13 .05 .00 .93 .80 .04
    25.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
   Overall      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000  69087   7452   8280  68949 84.4   331.088   2.10   10.27 0.274 -0.000  0.8 0.238 0.231  1.14-.05-.07-.00 1.4 .72 .05
     1.000
 
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
   Centric      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000     67      8     39     52 62.7  5462.163  50.11   21.88 0.015 -0.000  0.5 0.014 0.013  0.45-.19 .10-.00 .63 .52 .11
     1.000
 
Coverage Statistics
Integration of char419
 ...1.1(1):  component 1 in sample 1 (component 1 in cu_char419_0m.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  1.727    859    862  99.65   5.13  0.092   824  95.59  0.092  20.08  9.7
 to  1.371   1702   1705  99.82   4.28  0.095  1645  96.48  0.110   5.34 27.1
 to  1.198   2539   2544  99.80   4.16  0.109  2441  95.95  0.226   2.63 51.6
 to  1.088   3354   3365  99.67   5.18  0.148  3179  94.47  0.461   1.43 78.2
 to  1.010   4184   4198  99.67   6.66  0.192  3882  92.47  0.700   0.70 92.9
 to  0.951   4988   5006  99.64   7.57  0.223  4575  91.39  0.747   0.56 95.6
 to  0.903   5826   5850  99.59   8.17  0.246  5328  91.08  0.780   0.44 97.3
 to  0.864   6655   6684  99.57   8.51  0.262  6059  90.65  0.837   0.33 98.6
 to  0.831   7469   7508  99.48   8.60  0.271  6778  90.28  0.847   0.26 99.3
 to  0.802   8280   8361  99.03   8.34  0.274  7452  89.13  0.821   0.21 99.6
 
Local LS refinement averages ============== 05/22/12 10:40:26
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
 
Local averages for component 1.1(1) (component 1 in sample 1, 1 in file)
Number of local refinements averaged: 14
 
Averaged orientation ('UB') matrix:
  -0.0679403  -0.0947061  -0.0042672
  -0.0726942   0.0233563   0.0008479
   0.0125479   0.0233030  -0.0181923
 
Weighted average cell constants:
         A         B         C     Alpha      Beta     Gamma           Vol
   11.5138   11.5138   53.4580    90.000    90.000   120.000       6137.39
    0.0007    0.0000    0.0030     0.000     0.000     0.000          1.05
Std deviations of the 14 input local LS results:
    0.0012    0.0012    0.0098     0.000     0.000     0.000          1.07
 
Range of reflections used:
   Worst res    Best res  Min 2Theta  Max 2Theta
      9.8024      1.1431       9.022      84.819
 
Crystal system constraint:            7  (Hexagonal)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -0.2566  -0.0703  -0.0233  -0.1021  -0.0098  -0.0978
 
 
Unconstrained global unit cell refinement ============== 05/22/12 10:40:26
 
Performing final unit cell least squares on file /home/ithil/data/char419/work/cu_char419_01._ma
Input file contains       2594 reflections
 
Refinement includes 1 sample
   Sample 1 contains component   1
Maximum allowed reflections =       9999
One reflection will be stored in memory per     1 reflection(s) read
 
................
Global Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (2594 input reflections)...
 
Relative SVD-filter threshold:     0.0000010
Starting gradient-expansion term:  0.0020000
Weighting multipier for Z terms:   1.0000000
Minimum elements to filter:                0
Maximum number of LS cycles:              25
Vertical tilt of beam (deg):          0.0000
Individual reflection weights will be used in the refinement
 
Wavelength, relative uncertainty:  1.5418400,  0.0000058
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
 
Reflection Summary:
'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250:
 Component     Input  RLV.Excl      Used  WorstRes   BestRes   Min.2Th   Max.2Th
    1.1(1)      2594         0      2594    9.7945    1.0691     9.029    92.287
 
Orientation ('UB') matrix:
  -0.0679505  -0.0947765  -0.0042833
  -0.0727824   0.0233855   0.0007962
   0.0128095   0.0233526  -0.0182057
 
         A         B         C     Alpha      Beta     Gamma           Vol
   11.5010   11.5032   53.4196    89.982    90.007   119.992       6120.92
    0.0002    0.0002    0.0009     0.001     0.001     0.001          0.26
Corrected for goodness of fit:
    0.0004    0.0003    0.0014     0.002     0.002     0.002          0.37
 
Crystal system constraint:            0  (Unconstrained)
Parameter constraint mask:            0  (0 = 0[hex])
 
Eulerian angles (deg):           79.438     166.525     146.800
Goniometer zeros (deg):          0.0000*    -0.0363      0.0000*     0.0895    (*=never refined)
Crystal translations (pixels):               0.0412      0.0496     -0.1423
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -0.0103  -0.0156  -0.0273  -0.1022  -0.0506  -0.1072
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         2.76708e+05   1.13004e+04    1.44       3         0       2
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                2594            2594             275
 Average input ESD (pix, pix, deg):          0.11524         0.11169         0.24147
 Goodness of fit:                            1.24309         1.49759         2.31531
 
Highest-magnitude correlations:
  1 -0.97282 EuPhi1 / EuOmega1
  2 -0.77583 Z-Translation1 / X-Center1
  3  0.73654 Z-Translation1 / Y-Center1
  4  0.59514 Distance1 / X-Center1
  5 -0.58503 Z-Translation1 / Distance1
  6  0.58310 X-Center1 / A1
  7 -0.58090 Beta1 / Alpha1
  8 -0.57534 Chi Zero1 / EuPhi1
  9 -0.56798 Chi Zero1 / Roll1
 10  0.56170 Distance1 / A1
 
 
New orientation is in /home/ithil/data/char419/work/cu_char419_0u.p4p
 
Constrained global unit cell refinement ============= 05/22/12 10:40:27
 
Performing final unit cell least squares on file /home/ithil/data/char419/work/cu_char419_01._ma
Input file contains       2594 reflections
 
Refinement includes 1 sample
   Sample 1 contains component   1
Maximum allowed reflections =       9999
One reflection will be stored in memory per     1 reflection(s) read
 
................
Global Refinement, sample 1 of 1 -- single-component data
This sample is a single crystal with 3 indices (HKL)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (2594 input reflections)...
 
Relative SVD-filter threshold:     0.0000010
Starting gradient-expansion term:  0.0020000
Weighting multipier for Z terms:   1.0000000
Minimum elements to filter:                0
Maximum number of LS cycles:              25
Vertical tilt of beam (deg):          0.0000
Individual reflection weights will be used in the refinement
 
Wavelength, relative uncertainty:  1.5418400,  0.0000058
 
Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file
 
Reflection Summary:
'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250:
 Component     Input  RLV.Excl      Used  WorstRes   BestRes   Min.2Th   Max.2Th
    1.1(1)      2594         0      2594    9.7923    1.0691     9.031    92.292
 
Orientation ('UB') matrix:
  -0.0679540  -0.0947969  -0.0042862
  -0.0727748   0.0233856   0.0007963
   0.0128159   0.0233415  -0.0182054
 
         A         B         C     Alpha      Beta     Gamma           Vol
   11.5021   11.5021   53.4185    90.000    90.000   120.000       6120.40
    0.0002    0.0000    0.0009     0.000     0.000     0.000          0.24
Corrected for goodness of fit:
    0.0003    0.0000    0.0013     0.000     0.000     0.000          0.35
 
Crystal system constraint:            7  (Hexagonal)
Parameter constraint mask:            0  (0 = 0[hex])
 
Eulerian angles (deg):           79.476     166.533     146.758
Goniometer zeros (deg):          0.0000*    -0.0391      0.0000*     0.0939    (*=never refined)
Crystal translations (pixels):               0.0464      0.0562     -0.1142
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                       0.0089  -0.0293  -0.0275  -0.1032  -0.0520  -0.1036
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.21000e+04   1.16587e+04    1.46       2         0       2
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                2594            2594             275
 Average input ESD (pix, pix, deg):          0.11524         0.11169         0.24147
 Goodness of fit:                            1.25135         1.53335         2.33386
 
Highest-magnitude correlations:
  1 -0.97295 EuPhi1 / EuOmega1
  2 -0.73790 Z-Translation1 / X-Center1
  3  0.71999 Z-Translation1 / Y-Center1
  4 -0.70571 Chi Zero1 / EuPhi1
  5  0.68361 Chi Zero1 / EuOmega1
  6  0.64431 X-Center1 / A1
  7  0.62766 Distance1 / A1
  8 -0.58571 Z-Translation1 / A1
  9  0.53454 Distance1 / X-Center1
 10 -0.53418 Z-Translation1 / Distance1

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    48F_21'*MF ,2>?$%DE'D229'.+RWVj/T?S[<$IUFF_L 80  @xLx^Arwy}yBUQQ%SPEQXVRJYYJCMVTck^KmWnOmnoh|{QYY!T<7 '4AX&ZZH$98乷B޹ǼЋۍ󎍖躴ɲaКژِϳm^YW4?^ZM)Z+FWgU]InfANtLxuAvxknodJLidOMP_GHCD~^EIsgtcsXj{mXxlnhwT{|v{BuK]EL{%YQGXS:EL%f@(VE5T@=ZK1J=;I28"?M9OH*/O' 75?88:71-A52884II7Y>GJ:C>YQOI&")ZG?MI,+7Z _AvG,#/B_K$_&f?[+7	*8>~adrr\]V~wgaEQBYNDDP@DRVHQDH~GsHASaPZ_^VfGN\|IflkuxmX`xKL++X%$kg4.MG1<5#"½ϧ韡؝ϛׇa_È֫ϽIԸ:囇jM:/1'5WվWRXZ@TxfzikpP|utgie^s
0dAwrh|@ZVj~K_VPKFRApy}uk`BjBt{ltyaw}hwDKkBZMnMM:BHn^G]Z].C,LZMQU^G%S@>0L@F24*FVZEH*Q9I@6@KC<7;=ROJ&$)>OOOSVHKC0F)P//'#TL[76;3<!'"cMJ@F@Z@Z///(DGf<05zzouyvuG^by|bjUwQV|C_CZfQX@JoT]SkPSGmRnVTkIP}DAu7@UKCKW6%!Y@3!9Xl	ڨ꒩\إВҥک߶- -&v+:(_L^>"*URXYRG}j]vTVljqpehG*>RZIN`]ULC@HzrMGJUjUK{G_7Os{fhzU^bJIAOE5,CUR.^"BJ>JFX%!C;T9AO%PA54&(@YWA3SMGB.3!189"HKV,7;P-0;!08)B=H-&/#6-$ABQk'@$&U*KYPFOV@SU )(qhCNNNEtq|v}VQsVuHnR[`PHw|LFGr@r[^QQUCkTkWBXO@ZZ\Vhnod|\d\SIKM\\- \j-KA(/$#⾷J,㈃4צʂͮհ狒Ճޟוm&1<9:[BPUA@X/"8SfNgEJoSLQAG\fk{zLPnAlnlXoEOdN|^cz]GSUDr_눓gp~jDg@NZSgT) U`eY.%%9.&O*GD:J&^=9$,61E&.6DM2J7;OJOH8IX"UJ--R(&(=I74-06# ,!%]*!^O\?((_#9;^FL[Z{RGshc~Fnes{~b@NONkQ@|}[^kMYKpYJyuZqJMTItJOrqomOZ|EB]Ygye`F7_<0LGgZ( +Yb[V)QV:
ֵ褼蝑ָٯ敨ݲςۇj	042U[GOBbGCLFKQX]A6[QTSgoqcuinoyR;TRjXSylPrLVC[KxC^suEonp٠epruh~gljlIyi#f^R!3J\R!$('#JCQ[%416*X/I70K;?L8LJN6JT?GCGT^ SW?)4T<(U287/68;@@EV>.&_D]51,!$$!]ei`eHdmkgMihkRDzftDlGsWP~lf\PHSGsywuDCbxO{@B@J\TXXho^V4LuYV^GMG=:YeLNJEbx?{{󑥨֪ɰۅ׺ؽ׹:کd3K\|vrVWznWl^TVBTQ%SHXNLi|ch{{ukkEBePYPKJh[Pt^wItu[F@MuDOlzbd\@UtoX(lRHN_(2_?X[11,"&^=-JF35II3;::1O6EDAN-JUYO@0")($?@OKD+(=B+%A<=46;M#g4[(7`ZZ(/Q RnwOODCGU(]]fkhTx|nvgcuFI{BbeQWoVCEMKEJSDB{OiSrFkqOVxiZjyfmfHEkR^_~B]YjL52"M3>0DFJvefu
cߗX󮓠ЫŗΟߴ27YF]jtnY][RSYKI_LFSOwQ*AJCRdboor]g~g`WQIP^MD\SutndVzn`OGb{vjU Ts{LwtiknrdNktL(=1GU@3<DmE'NZV'.XX\3IJAF?;@OL60\NKNLHLAO0@N1%%/,811==<:>/RQI9JN %;%gU.P0	+JQ_J[+^Y@ENv}XTPg^HnaHpysrt}is\OIOmPf[fTSCBOA{lISNQh|}|Es|ru@CkCU(Z[\^'L\=WB^BF>'H-6׷讙ޓ箮ߢ«ȣϤ޳.瓋ҤnjP^\P4_Z|VKPNSETBPW@b`bCZtwpYRbabV[cIBFQIcQm_@Fq@WZFp{lALEOr z{D~jnFEQ\`#[RJLJZ@=^DQHG]U2!35;4DEANDKCBKHIL3VQQ33>0:8%<4?0A4772HB:TX>Q@M(&&'[AXMDTCET#[(+\!_QZOonXSl\qDx{rpxxhxrmk4ZMfJTKAYYOuv@DDECZxOxfsez{NnznU@y]TT[I!KCZY~Q-7|+F?$Ұ,ʷ윘ӳ׹ţѽܡ;
h*1#^Vh]G]RG@MV~Dl[wn_VJtWf|{Hjx}N]IHM^^TGBVYkLz[IHAHPn||t:ip9qcq{EDL\$+#4),43BjiY'7*4K<[U%<333?/21KAMBM@HI6+')Z;*)0;JXI0+392-L7[W\2))"AAJMH<7G\)?:*'W^TWR^DA;RM]Eaj~y@TW[Elt_rbitknGLTJVDj|^M|qEnJTPYCuqQMvFde^w[X{trmf~Q_&Q?"Xڭ`wDLKqiӣIũ8¸íޠ̞ýؑͧ鯴꘷#̯*װ
- /()6ԳǴ_BC|OE_H_~ti\zKdtZkej{ERLRPLTXRIXZkRATaTSUUBeyr
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1	
5>

 	4  7 	)

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4:07$4&*9 33-29	?
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}yx| 
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x}p  v{  
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		 j	tn v	l    
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 708(56-+	0 	 	9==/
>, "-	
ty	p  
m}zw	v~ vrvpx y~}{	 p}uosw zyrxwt  pqq|rj}x~vwwppzxy 
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wv|

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7h).()% 	0    713%; 05 ;	,#0>4-4.22 	
    ujxol	 
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yyu up	y{ytp|~|tw	
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6+  563?=6	  	9: 3/6
h*(. 
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~y 	zb (
b
   /  ? 7		3)-	?0
3	 

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	  r 
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xy yz| {~}}{x{~ p~{~ kx ~{ x  s
	x
vrux
 *	  	/2-w(1 
6	2)50;95	
6/
 
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

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    
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t~wy||sv| 
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~~wpt
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-'28	

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:<4:!	 	{i!lw 
	
	 {
~	u	u~ 	 r u~x|xwtt wv{ {u |{~y}}z} {|z{z{|ru}q~
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

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   %3   
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2	 72>+'	='14 9<	 
Xe	 	40 8>/7
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 *- ?6 	
	omnr
 	  j}ru|v~x}  

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}ru	s	
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 1?;5664: 1484 
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 2*0
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 x	vn	

	q
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 ?			qyrnb 
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|, )(13$(48   7 28>0	n
49>	7  
4  5;hl`
.$	p
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s
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
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h|{~v t
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3 0*;+
,7	 6 -(;<964/9:3=!!99 6h
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	bs{w
jj{_h}ur  }		 q y z}uxtxv	y~{v~u|ysx}x| x~{~}{ xtz
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
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 r )5  27 -"1# (	
#(3*	-/
**37 ( 


  	 wun
xkv~w
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:100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :21                                                                      SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:19429514                            0                                   NOVERFL:-1                      0                       0                       MINIMUM:23                                                                      MAXIMUM:171                                                                     NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_21_0017.sfrm                            CREATED:05/22/12                            09:03:40                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :14.499900                                                               INCREME:3.999999                                                                NUMBER :17                                                                      NFRAMES:20                                                                      ANGLES :118.000000        14.499900         57.992371         54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.737484                                                               SOURCEM:0.640586                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5336                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :346.000000                          400.000000                          AXIS   :2                                                                       ENDING :118.000000        18.499899         57.992371         54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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:100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :3                                                                       SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:19972670                            0                                   NOVERFL:-1                      3                       0                       MINIMUM:11                                                                      MAXIMUM:299                                                                     NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_03_0040.sfrm                            CREATED:05/21/12                            20:11:36                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :62.431900                                                               INCREME:4.000000                                                                NUMBER :40                                                                      NFRAMES:51                                                                      ANGLES :98.432999         62.431900         311.554810        54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.749695                                                               SOURCEM:0.642344                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5386                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :372.000000                          239.000000                          AXIS   :2                                                                       ENDING :98.432999         66.431900         311.554810        54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             548           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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2S'-(P'X+,LP)SS[$0,VJQKQLQMQNQ                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                     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!$!  #$" % "##%" + " !#%   #, (#+%!!%""##%($$&%%''(''&')"'%  "#$$&"$ '$ %! $#'% "'# $""'%#"'&%& "' %' ### $$  '))$"#$ '''# $& "#"##%$%#"!' %'+'$'*)"%%&$%'#&$* &%%'&,$+$% ##' '$  "$' #!&"'$$'% "'*%%($$)')&%&%%"%.*($!"#(#'' '+-*%'%"))'  ''%+)(#$**&'(+"'',) ++((-+,,,+,'((*+.(%&"#$)"&)'$%'(')%&*"&/./ .())&#1-*&)+/&+$'$&&""#$%,'()+,"'(% ''+)*,0*,+))&,*,+)'&$)),&-,)++ #'&)'/".*&#*',*1)))'+,'&'-(*,+/."&)&&+,*'$&&$'* """,'--(.,/1. &&$2.+&)%,)$&)&)+ %,.+"-..)&&'-,-()*-&-1,25-((#+)())/'$(*("")/0-*,! %%&"%   " $"#"& %"'!&&'#"%''()(&%"###& $&#%$$&(" $'#$'%# $#"#&"##$""("$#"$ '&$#$$'%$ $ $($#)('#$#" !$$$##$$$(&)&(&)(((%%&+#($##%$!$!!&#%$*"%&%" $ "%&'(&$ "$$$$' $ "$&$&(*$"##%)  # #$$&"$ #  $$&%%%#& #($!'* &+$$)"#$%#'&**,(#())($$$'')$%)"&%)-+'*&&(&''""#($"&" )$+$$'('%++)-&&())+(()*%/*&&$*.+0)()&"(0-2'% '"(""$$&#("(&)&+"(('%'%(),$(11'-++)+)) &*'('),,+/+**')&($%)()*(-%2**'*)),1+#&--$&( *.+"+33/#"&-"&%&%&!- $',+,(((2/1+(&$-*2-0.$'),(-)/-("#&) $'/))%)')+,3 )('.+))( 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M0XVV/9FVN!GU@UB`BA@X_wnxXVWansvFvubmvRgdhubqtDPErvHHzLFhuk)M]S֊@D")AUPU%^P"'&5=CP&1&H.-,U>خŬþțᶠӱýŹԽΘټӽ׺Ƹ٫ӹӧ顪ŷް㾑ͣ瑐۔GyowayviY_Cc`r`iM@grwNF}OeRkiLqDGMzWkTWjfJUtIB[TZkf[LxiSmZEM_mzB[zGG_hqKCG>$NDJ4K8QII#;CB>D?J8ECA72.]8<O3LHnQoQpQqQrQsQtQuQvQwQ                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                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
	    !"!$&!(#$-1++*-291A'(;1:"=2!*"*#,00-"0)./ ,((4;/00=B*:B=-5&:SSFW9/C1%(!280-0524ILD2A=5125984 !##$ 2%
	qj)&	"+$ 
!-	#;D,$!4!4(40.XN<C,1$%!& 1B(9J 34!;0./7=C66$5@HDEFD0EB?6+%+0,29>;5E56ZNY[IJNI0=QL98!!-.)04 *,)    $?	?
 +	  #,<=CW
#,186,9**/,$40@FGKK64#/+/3 &0$,$,($(:D:$$`;ADA<RDHCAI1"*,#D+5=2BM5!&6EIPLGB76<<:)++-%( 2+9"-@  	$ 
	  8" 
,=74@)"'/!&155;/<64"$=B)*=2.0@EDB7@1"
,+')$#+0-/7 03>4(/8M?:2EK]L>LD00*!$(0426>+:2 .*?745-0<5',7 	*4+&B/ "*.5	% 	   	$+ 	/5,"03'!432:('('&)0=)8/>@+
$)/562?,8:="D!++)<@,=D.'.74B9GCHJJ4'=;;:8;BA149%,<;6D099&3B<0+.&",5%(/0,$&'"+$(% 	$   
 &>+	*,%(,1F8&)A<+ '60'7F7%*/.)0.-#:2,!$)",<KK2(DC4&BR+02@W5##&,,#%FC=86AI38@JL-)6MVS[F9 ,+%(/&66*243$#&,
#	
 	
*4*" ) )30+;(-$.PF0)06@,75+8,(.&&**(/#3+)!0#68<<8'L@@39&&:3 +6)(','D=!28:)6VhS.#7@?KOG 0,7+-9242/8BE#,'7$1
 
!2&"9.44#0)&,%+D7C.?;.17=<A:(,,% *,*3<$$&4#:?*#(0NI>(,&=L6%#.882 3>:+(4CO>CAH>H'% &'"6F@ .9?9&1;A@.,Ti;(#0D?77 %#'   	 *2
#;(9B=%"#'3K6#5BA3(,,3+2
 6:-" !5-2(("<?11!%=EF>1$8N_;**6>7B-$$3$&-RO_Y6(1TL>UG<D03>.@&.C/'6<E8+'=:40#.'
	;"
   *	-8<=GH@&()1%%<@.)4#/2<((%'/N,!:F4#21%2
!'04-#" J@@AM2.4IDD829>8DC 2<:B)'GTEFJ::CR<UUGG+!!&0'5) *.47*0992E<4*5/61").+:1"	
 /nHrL  *!	!.>BI;7*.($;4(!"LF$ </+=@02#"42(;E2#)4:!< #7E?00.21"5KB@:3.5H75\I;EAG:1;7IC'4B1&7BJRH:AK90:)+1"+0>06!86>6AL57@9$$<=3LA'/>*76&	 L,z 
	
$$ %MWOA40'%$-3.%2K79<6*(^Q8; .( .-63='7(,0,0) 8TS3&.;-,+0L`A-.8<6:(8:@;OT=FAJE06"68#,;D,TOFC= )%24(;G>=;%$=K>H6#/H#&)<:**2`?(49,**	)#( Y6V +%"3[NOE=)(-5$(1+2".,[O@-$.5HHD/,"-3(#.&5P8-"'9G:)&?/.->6@?<.OI>AO@6-H>EJ<7:>2//6A@;H?.2HNhz+NC)9.8F52H10SF1;"$A+*)1>4''>D7467@%**2 		EP 
%1D;?,54=: *14CSH=1&%L2*15F4%+!$7VK+!)%+QI:8)./-,:=F@2JB@AL3(-C]FKG;852DA8<UGMF?=(BB;64;'%57,?`4&()4,A*<>-'+6H7"/$.
!  CU
)./;/#$C>/*(!&O:0:)',5!"2-# !%(%"4#2$#LSQ8/!"07MD3340): #6DK2+:ECD2 $':+8CDMSECU=GYF[WP4B@'><+/+9HJF$6D+0KA,6-.*1Z@;D&%./5-&& 	
 
    #$=1;09/& $!4I+87:51C"%!335+/5=*.15@8! .#%)/?!'12$&KQ2.19;BD*#815CBL[[LZS=DIH87IMI, 1-9J9>:H..*3BC>"4)&7@S\D344-'16:)$
  -$""(*(4/D@9 /V362%($#'+D;708/<7;1$5"#&=J&%$0#$'(H8/"266D;*<@19@;[^>P]DTU@/21EY93%43TQ*1G@28%%N610/18<A4?#!/55.&"2+&!!%$  9 "
()($	.I9',$02>Q>7)1.031 7CHK097)2&@D<2)-1)7(%)2>&(40+%0+58:B38I]hM44IEE=3NGORDE5U_42CXSO>&/L1977J5$& &6EZ;4/($86$	' ".!     ,
 90=8!1$:7;!.&3E2&/'&28NPC,,7'+$6#&',9,%#3)88') +7M1*.9$2AHE=@*21HUI<58A<<9ADNFK^O@>:YoZ3+++47AGI<%/3L`E6#9%3&	&	'&	 $ 
)C.42 $,)DK69(DC@;&3@E419JK4.( !,2&$$-!?4,&&%6D.?M"%-/>A).2[YIJHJ=>V@M0<F))'N0+34ANYgK4BNTUM@'&&-9J[D43>"!+<QB81')%
 $,.5!')$, # 	 13'	!2#9:+&@9 $5,"!*?H;=O0.GZ,''! 4$%1%#&)/B:)+*$/,3O?!!# (9/*8[WS=RT=HOL,;'&<8+0&$:VfkL/+TSKO510(@T^XK@aWP3$$78D;A+30*&)'&!%4*6!,'  
	"&39'$$85#(C(4?<)89 #);_^0DPKCF-"!%.=F8'3I8*,2--7+ "%*N>*9)38-&.54B2ULM5EYgH98';8)7=5!/$#97TYOEDCSTN@AC7)-I^Z?69O\G*30,OMA.$2@@- ,&/!
	*- 		
"##;;$'D!/,/B3#$%8;60&(!74GqSAJMchZR7-#&*8>5:BF0*	 , )=,950% &>)*,  %+4LQ,9EA9NANJALJ;(0,&=A58BE;KaU_MMUNLJRF/$DaC8'.6M;3@2A>J= /P72(30$)3($(#(!"   5	 
# '-*!.?6,#2(.>) 1&:6=O>+6DL`WQ;''8 AMVK 4)$(1$5-69'34'$

4?KK(*"5.5,*:L>JJ<$+6@IBK<27A]ZMceYB?SS]`YKX?6BT[??A:2>8DE6D.5&.8%.-(.024C?!!  
'5$)2:&!!2(48(%/*0$04#4E&;:I3$'=5#1&M7 39/#"+#?35/$*'&;)!#TR^LLF2:67[KRYCK9CJWfRW_OE5>MCA@2AiSY:83066>B365/:I!,4!%,,5:
(
 	 %#!.-#22&9#&4>4'"51 83D6/-704&"28"&.0%$"*("&1OL*"&%($"!-
;46L^NSK:*2<^KU`HA&+CZOY[X8K,@G8E<FPQOA&21%;;8<**(#-962'(*#4''/
  
  "-9;:#$-(9<F,-6<(")- 11=>+&/%508'*!!!%!*(787"%4*.*3#@>A##I<HNE$ICM<FDMP2 CMJISK=4NHIB=?JWBI;/531*97>T; (3<5>=;	1,0) 65# 	
		$$" 	23<)+$%+$??;<!##/%4$"6,)&"./*19C&6-+!2*/=$"'"'!( $'"/,	$F0'4>EK$ K:15.';H7[>3;4PO<JBK9?N7*\?/.LAO\41DI2KBB-693126% -^+$@;4TOz1]BSpbeM]rjQfHIfHnSi^KvG}f[_PLK]OTUbB' n]YRhtJK+9<)("%# ^!.V&?; ?~G<<Z=+ZUQT?o}H$>d EPK:~j=<.7|v%92W/>UMYW8m@1WCW4/|q>s<Ca6JiW[,5K^R]_0/r<0(1	 )$'8)).(	- 5/_h
p\n /}zpURt'2"Q-#> 2 >);5:+"#$M'_V:f  pt=0/  5+& /!dTRVY|DN`wPpf;J|}hJmx3\Li|z1e!uzv#&": pmtKsPZCc}/xlBABb$03WrT\rt-j3!T95,/{I ':1!d[ab@iQLG|y~V DGPQlZEb@ur|`bnswExb_MxZK!Rcf|=,XhRVihtu-[]73LIJdvkLHQl|kKuzSWn m EdNwa@PCG[BI|melMqvu^Ir-QhWOH|Bj6	5%<5{70F_%tM<{|*"`}Ks!"E;>J:8B3o?FB4_[|$D[q@@ HaBUkKBbAsW931~ 5,8
cmq[wOOysEQWKt |CH<=*Hq?2*4R7lRp.>v.=U4/ ?*!2<#7 w0u#|?d[XFxj-vh8?m]euZR592> r}j"y{MWjukfz]h_U)--/.,2U"OKQ\;"577W <%
oB`5,y?u)ZBhm3$>(&s-)#=.+q>AULlTud/\-.lSC}^=>5.'".&	'"? 	$7Y9g!}ixm@EEv:,/PN2^ QNR=E{|2YUY*nKJ()5Ws]9Sl3
}	8>7Z-v&!
	-AK4;!8/ 7 P 9#?"1',)nM"/zZiDA_ByuHW}lDEyTBh{x61N"-6K%]@u0}3rZS676>/)3<-	 88H,.)yb7-1=	hP)}a@Ctw1,(&$UaXJKp <(GEBU**eaO"P\hVbxEN}^csI1@vdqt4::r.hxd ynckNWvkoDLFc@G}Bmk]zu`kioxt HWhU>) [\UR z{lFSvZDOVCp^/JdYON0cUPre|YlbhnwF8]RG_^$I7ihwkpltRyD $b>=#<"+Y{1= u{mF47"(JMfL\VJt?v}wkQ/wXu;mtsB<u +<;8g}Sdf?.*qOVeKG5?iveq+AY2.$& 6S7@IY!?:Szro^W7*OJ}v\ET]BIMR}i_Ims 5 Q ;<4H Z"->.3;&  B3 #+>+%6887f:aqxM&&{gAOME{L*0QlYHT8%%W.%-HHJX;WCs{zmv/c&4oz[9u). #:'ma.?
281Pu[=*O3%b_;/<37ooWe:RBX	?ew'k,|p~}92 *ABOe,%Nk`wr]UzJ[hr.x{?QUKI}}`g1[YyslQt2<<GtUhg Tl~b	)`{cbtN~Q9LET.YJfDtWASOgl d~I  l~dYRtTca59<M( aSB2]F2U m
~V3%412-dfz	89g29v){\s&FCxibSM p!Dvp n_43v~[slf.5Pa	(>!^-g-2Ausu	f>`4:<:B*>2kJ'>O%=?l,2#U?eg@kRf~orv| KtTb|H^CNRZq,W5)
qxC| n}DDn{B[ZLiha@M6>QC~as a0u]6ebv?P-2. V -R>mq puoNMK2Ir		7xm7'0j#~BO2E3$K5C6{E2E47	2sf&K.Y	DK*T:+9a#7Ewdf
raesXYbz!kf Dz2!F1T_dm0I.#bHE;:h4S5E2#T9`eV&xw#6+$eDA:-F-%	ymAz5# #9.H:	
fvnjk. CfMQO<D*l|	93_X8;=0E$%anABNl,JAH."Eq'|+T^]( @%oX_JY`w6<F\,>b{"9)1	>$&ZO/&r1k	ED7[U=jGF9VM4"7=g2dXI?]Z T%& <^TI# <2)@F8/ #aqpai:ALOiN_niSn~K@^ZZX`Lwc aNJ^T(Z p{{c h\ sNwGt|aTTE88I4)ghh@LCq	MNYy}{pwqSkt57Nbv	WP?(@z?F/'0T(+,,$'y_Z"M/-*3!	b[GoHCszCv{mSU^ nlY=C ==#KX_!%)9Kc2(sZ1~P#OH0I=P08l{FNW(?#b4`[O-['paS^D[?zVen-034D,XNdBMQL ? U eQ D,z\gq\ V.gc pn nq[yPs~0HZjf` ]snR6rl , {,84n-
4X ht)bd~s!&>$ '9) ! 4\]"1%(SE^J :0O$g4O9}~~Hni	MKe!hF>+6oiqVUPV	&"vFgKWX"H#<t[w@iW|vSL@ LE6K/vcU7)Y@^`$TP}<
Bmds )H2#)u /)D?		$6F,'Pg47[K,Ck}JBpRVEbACJF[RAqfr5O{auI_L5'	d#:%~j=hr	A5V4L &HT` v[(kBD '		| 4jSsvT6	*)$F9&=.)0?>0^x-=5Y29/0-*/v]u[s{cc`aOgsb:XTa\3K>KUO~be\PeM!NI2/;}y}j\mypW	r+pM?!2'KR8
/# 151(mc",  " 8?<;5>2L; 2GNQ*DlJM`gW)!K,QG(eQ;$nkFRmu%]Ni><?DjX}%-& 8	!2iW%J#9N	4+ !,,>n$hSO=+tA=+M#/ *#"BzTK990_QY_#zTYPUCJg>F;)DW-,>.$.< *3+?4pOKrT -p23kT[o zOEJM`DbvBYVaQlsb Bany_~NUCC`/GDPHN|3=FheB(8fAJQE]LYVKV+C1y!<9w1#V8,	vPjtaIIBp}k nElC\irDopi|Fsy`t ]NAx`tpfL`f@r; #StGtPPhBt6P!DC]-4UJ$^U,78RA`Hrm;naN[_b	g\s|MeCr^[F aNC |pvo9.C|%daj2U"% 9hdSEmaeX@Rx 5Cr
^>) 9Z0TyYJJ"__O I=VUYQ^X "oiMdb?&..mtblLYrQ'3j'GKEF`ti1fxJ\9KFm/I16#+'x82zzU+:0B:"O5EB8IU!'=a> =pct6iNAvq~}}[WY1~V>5!n	*1-9&0/:"- )	0: 9$   86 3}!#*%"{M4DSj|*$~R"?2D\]?MTu?LA9IDJ(r,^maet iS
"=%. 3_@%>+=#0{
u?	g#_89,ufKq9PL:TFkGavkDqW,b>7zJHH[=	 ,7#4++  7$L>"E##($1;%t%U0#69S<<8(I$rYqmwDS . 8w Smmq|J ~}d}s E]~8.vx"?QAQMA'nJ%$FGG<]B!zBM_e+B3c_D2PfvmsmuMDbL[^_LgAv@B@bOOJ{FEU IfytEptksYip@kzUqNW+IQ|xL|ahkok`c_Zk`IbW
pLS"!+Rotn^2NY^s >/g
=?1hvs)wCNOn mW?oq4s|>2IS:>3;,9,C0H3!8*226"060u0
 7D	'}(o	80-Nj=, ` kw(%%Z\@btsdF W9vZeVKO";1[$7#kI.!Xb9	naQ"#?xafz
F94Z2pk+>14Fq
L/2enbm +S[9"9 s) 8- :22)33?=(*.+11->* 9X@)  1>&#Nlf
FafjyPG*Mh{Xto[Vv=j{NyXu[kw~u|=$X,pJ]JFC>N?'MUV1`Oa+7xIudC`fx,QdlC#/{tY ~{~W 4H\A70q@MR9:^ ;9UvB^tASHHsUxUFAB@x!,%aqvtHCEYQMwoncd&uqpf[Rr} @Tq0:<anotPm9( ;''YJM)2k(%;<?14(8'/%3>#Tic8>@DT02MrCGM.\=%xnB !C K_jmOucYG~+T[Y=ub/cyc:D+(0$1 ' Pg-GlP9u^MxvDXHbLQYOOJLpjoiR`wft`i_cYB1r k]`mI[CbshaC/1F^n-rimU_g'IFI:^XqhV^ oh*_ /;1Q@iwsgFyw7rpg5,$%)>'&:0	'"'+$=!?!{`xRPFinXnkgsm%jvoWzX J 9z~@am:,b[ xA@N/>tsTTCxnQE]@`qJyY3O[FqTBjQM24WrCfh8^~`nHgbD<5N4 f;og|bu Z^Oz~puvc@NU:bw
P<_[m#]&#-* 2     (41   9%4a~g<^v\[:mmRgUtch~\|MN#tEv.R"C]JAVeD'/?:FsIYOOgW]o'nrkN~r,\X|83#\mvfl}G`]?TO!7l\Q3YO PTZIi"l\l,<?>/1;0(d,.ri 0* #\3%68&1U:'.N85"L21/%< &6%?5"$'>D/>+WuFTa
{ImnLy\Fn0D&A]yAJYNW5FqI 7!/W^g(EYV9"I3;O9zO,PRiL]FN\xvqO:jE@{9o |LrPo ~q- ]TS>89V/3L777<39(L]	)0#jX4?)'7&%myzaO68  s B"x`8?87235"2-!-#0?<*j;pCEAJF5~@$SIICQ83GE0!66&	<4lneZxadCZNx' Yv8JUzZREe_SaGonhOzz`\rrv`ost5%eaW	1hG+=(	7!(Y"p:tFjx"Psv@=NfJcgxbetk8 1	6yV 2> *(94(2>$*-BSh7%hBwfR3ti{|~G (fm38)#g +1sr?=UP 38.pLIS]AuI,ChBzS@xXrI}cz]J: =e&IY$!wfj	I6MPf[I/G!&W{of
!'da  SbHN u@+% gJgUXD ;]N'4:*
.2/2)1 <
*7 #7 WH 
%,k S_ ^LbNk\?'-m	~: 7&#	S/"d]"80Fh`s&\Hj2)D`k >\UgB6bzvP_b oRLWqe y?Bsa nl_FWU\~q xui ~egPswssW JN`wtI_Q\jq`+2 SXQ'j/  #_ <eK<@C;1P[ahq|ddhSFKBlQrk.	FSSJ{* -"@[{=i> 5"/7'/gSLq34G]~bHD`dWqU}wH yVe\ ) 
/;D<+4 ) ("/$nd| m s dRIFVO|$LjcmXCYt|3Um'Dr+1&TTS0H(S3d*>2Y\IO:|bNk`|oVeYrkVauy4lVb ktH{Vph|Z?-r^qt BB[]p|ogm d2(!! :!4>:/0
AJy]d%QrS@nj"0<UuPHdr m S>6
.!(T{2$c+2)G#<`g0 %2czHu 4 3GdYKwl,tX:Yv]lSb<faEIiNIwRsSa
}iA kg3\G 2   72 :51%2 +,$zX?a'|N8>V;GwM4<'-6!<6'<KK
 !  #&3/7/x8" 9Rl}C w4?#*
Cd}L%,^V%nsmvt7 jz.[@ai A(X O^oV;=]!D  3.9=	%9-5zzZb/G1}jHI bBW`sJvhKR.}V6+;5#+c6$ZM{BPb/,"&G;5w?#-;94"0'25;>&#+\FTzvgeYfwvjxt~-dt
:1,1_G;OmV.CW\@vKB: o;//
<?)_z?<J=u!b{:# }$VhTRdelBdS^Arf}=MVm@_21.''	 $ # (  0mS')</4r}`Ese	!:U`dW',vG&59Ib-s{|3qu^HN!E^t	F",$;,&44'5	29"#-!,!-: 6(/\Ytfb(	mb~81/
B (? 9$<>: 5-3   61	24	09'-.46,6
 ]A+'T uwBLSt/dTRpOZ@24BQ[RNnK]hn">7=:H8+#>?b,rT5(;]LT@JrAsD+*w1'=m4(.8!,6v+=EO.R~dN|EVz\cV@EnIQ^ !$c1;.7)>%.h"x*$=()B""<4# 6JB6&N. =3Ee>sj	/AdTOC]v<81GUYSa\EZN"mp/-	56G\PB[d\_LYx}`hbj/X.>.0a8 ''1 7-PA_k*&jAe`u}z]liglOqnYrY]~ ]*_U  97 3f* s|s*)/8#$)m_[]8:?A\ 0 YId75Q]+csr\^FJK:<fploB_omeRq_)'U8czh;QhT9.2SSPQ'yY29&*IX]vtL7]SrToQ(5me<Y boJ]10 SNv SH}D~dh~B }`fqi`flC}pnX]RwfUUaRprjT{];y?j}s`a	;LI~d(~h8<si5<*Xb#%%9@oubNhvLt~{LyS^oQoa@uph UbMeyHL^h[VxyZpHVL-hEHOP ^]3{yyliOR9GMT].Atq}adD@b%4$9UnM'#_{ujh#-5#DZJd {sQ"oC}`wINtQmq`ZCf~}wwjMasfDrm,^VD}PhPPl|tzHyyhi	lt ~kWhKwMIgj@i1d   }qgjVyi^{oc{lEj~HS MXX_\GoqTqUiuvi]pkvxLRJx~Q\aAbuMvvZK@TX_hQwlA943,BuG_AC5.#AXCxJlAKT@_[&!+m  t1>1uTK@eEU~adOOjE bnllCvqI0%<{,$u189,4%
 ($%1*"0DF< ,)*  	  	
 ##+/7,(' 6#..5'5$71*3$ ,B.-)5!&0=H@8G&5QR7%%
*(
!.6,!-849%
 	&
 ),(+/	'& 	!!&.)--"/0*D&-* *)(.+4.*81//)#0,>38?E,KD3,.6.' !')&'%)+0%'46#8/3 -21$ 

  &'
 	 "!&
!2F(28)($/8'1%%,'-6L+#$3))%$2A?):=JMB34254(4)*)33*."&&(#;A5.!;6#%00,0114%!
 , 	 "&.!)3(
#&)8&*E(76!*	 /,2/<0A=IOR% ("0)86"*&44-2-4)"	.!+*;DI*4$ 60/*
		1$
& 
  (- 2#$!:F 60'(
!'+918>DEBF/

 .;#&5(%/*"#$/+.(#7N7" !	8),		
  *$%  
	%) 
*--80'0?<##-1*8CC/+12<;'$"6;* A72=), *',%((!%")!''"! ,-@0(-     -	'-,&"  +&		+ # (>*2# (.=A303*".GF=:;71+.%7.# ,3+('O?1%0*$% ",+!''80$5.
5(,J   	
,(5#/'""&A*,.7'"&./C 	$(+:HO/A0K?6*>6*8((.F?.*?'+2" G;B95>//	!/#!3-%." 06$6K6.9
   %,5!$$		8..&?)#*"%+>'#,6XS %(6.OVeF09FQ*02%(47(+!,@* !5H59JA5"#")%'/3 +;%
2+&)67*2(.),+'.)     /	 &#C7 $!4C@''@H(&(#<#,605:.)$#@V=+&')!"-9APae1'8BOF"..421*$%,"$1AF?123$
*(EO/$<1)(4/,/25&!#%0$ 	!"!4	+3,2	$&%&.4:A+34!!!N]:"&$A?5');$32HCJB( %&7 +'/$#<4&!%(16)/-;AB62:4("*431--')X0%/?:-6", " ','#

%!#$$(65+64#2.*PaP,4-2.02++F7F>6%64$$+0>:#:2",/*22739 5$%"#'-;&1- 9V6%%710$##-7 
	  )$)!& 
$$4+'#1)NC4>)&&7J9A2)>""402/,)*:</%)<601,6@P5(:L3').3( 0.&))4N5>.$,51#%*CK; !(1"	"E1 ' /,$		  	)(%-"	
#*
/.%#234#.,(&C6RH?=P:**6)33/&"2".;3.*,6.;LE/(")";//5;E$+5L//+"&E;-3#3K9	!F7L=)*,?..O;, + '&8)% 	  		&	;0
,-,(($AE0;D'%0+*EjH<7HmF(.,(55% $+)ND' &46PH>8736!>DC3A8D<C0./35*(1!0%0>AB!0D,@D-*/<"*:9@5( ,! $&$	  	%3 (4>6#)04*+/4:EKB(.?47=BB*>D;"& 5;$;J>2S.*735"02C.$A-%K7-@747;=K75?R8'&-!$"#:R=<=86=FF/G4)")+"+3$$''/
&( )  :# 
 
%2"", '#,# 
.:0&'-4<HCE.;<<;C> +$* /(%41-#3$&57A-60(".:"'12%@AR445('KE$%GI+009;LU463334Z<*2ABOOI< /'&/8%00!)"-  ,#*
('(0&""))?DH775";5604.IR<# /1& )91++D-#>F9*"'-//(2>=:J:(1437*.#QS%53814=8JE<KH+-L61)G9B4(""+(&98+&1$"$'-'
   
,%'+&07'@4%=H$&!!'8SC&9#-9>9./*+92E885$ &$('38)(!#2)5L:%02!&%<HKJ>>>#0(#&.*1[Y:7C9D;@1@aP6/#2) "-'+?/&F=*8C)62'89&)
+&	"#	-)	'1##/ED,*!:.*2FD<,:<0,9>;<92?4('+/6((&3!-2%))>6@=<VI(6)+RFD:7F'"6'D66><:7HB<FBGC?/3).'7139F=1-6E2C=&",#	3 !0-3*'!%)* %4-,!IQ:&8"!,F'0E5<6<5F4G.,)#;#4:13=D72@>.<=ANZ:8A,+FVSEJF+0#8:6O89$;HcSP<#)=5'D).'"6@4/."'0)-*9:<0  EA(3/"  ! 	'&60(?.)(8E@&%+'MD4860>),#-(4=3>;4/:9%?J++175J@D5;TA>7>#)5[ROk]HLM921(.?5(:RMSJ2&(3:?9?9J<>A8?2&1)3'62E632#&+"-"(
	 #'	
('+,374#'$!!)<>FC?06*&)0/O;1(&(<B?7D?74$&@ -DMK2/>A5("+@JLMCGMC75'-<:.N`\NF>!"*-/)$60;1<=RT0&=(46,DE #"$$ &	
$"2 '%/,"0(*$*-1/-!",9;78D2");52A$9C?5$:B)012+*-8Q@<(90/*=FP6+"742N6>4$(8T;IL3)17=7.;548#8X=&.K'! -0<;"$3$##*"% 
(//	.1&" -5%#9-6/;20.!#$+-$2/0*-#5.  #'+*0-3BDM-A2#  ,.68,#8I4*"B+0BK1&45Fpf\77+#- "'CL5;$=3:C,%7BJ7+3>94'*FA*!(,%7A';E ++*	(*-#1!$ '"* )4!$7./6.B76: -#
!8-A3 4#*/5'45$21+6$	%10#2=.:DUL<?>D=0*G9%B:8BdfNM1;2$B2@%.6,(=;,D!,3CPLFN8541)&=%46%3@&%1+ ( #1,3)8$6	 	 ( !("&(513=G8.B'!- $5b?/4*-#'4:2.-2*3:- *+967#'B,*"&7);)FE@9B<LQFK582 .,,-KE3'I9HK7=84KK> #=:2:8F?')L6EXXH5>*8.495$./3<31>"*(!)*	$'     
	.($'$"- )+,"'.98,<242+2(!184+6@'0P^H=FC98@E.*'./?,/E@)ANA=5$$'!,65?47J?06609>0;K;$5R83+.FD35@=(,BX?8*-&EOC3EOE3!!:I/I@7JJO4:%
+?8)0*."!%$*	  	 ( &!/* &.&-1;:=77% 4A?-;5(CVhEL>4CG:$F9<3541032DX91'#((8&=8B36)#,51>..".gO1#1020E52C=.FdJQ%91(-621/QQ2-CV?3EE=AC8.H5+<319'4(
.* "%(-(0' +/.&(646ODJ?A-$?53/(,:GPWV-1ACF>4.56"!8?, *@S@0,-:(9>0"6(66:74J8=-!Sa>6.13E@B9 C]WU\G=/3-<GWP?2/9J(L^MO,(@K6==<N;I,	!&2#1 	($  "$-<-'126992*2+#:18<:4&PHN+,")/A0"0)<)GE;/.JF?D=,"'+(3;0"*AIK#
7?<3K0.(:.?JBLFIKI.66CH<:,6LJ2/IYYP94%55:\YLVH/66-BPMC'8:62CK3$("5	#% 

&,#

# 	'2<.,%("-,$.1"4IKG'(/:4 !+--#:.3!$,38;4?KI/'/A$(D,/=3;8/NCeb7'( J8?OVL=:25FFS2/)/:3(1HA[IF0%.C=BGC(B1(7DLG512-2DML8!14&!	;)91 
")0$  
	-6'
./8.!<?93.,.."&02-+@-$$.5][D?-
6Z1/7>$<2,?9@PSA5+&!.>7;BBBI0(*2<;C/;I1.#2S]UJQ;'25X@H8(!787BK>:-*66A6/%BEA6(3#A< 	 (""/D0 +3&")94+13760: ##2'HC4"$D-#%'2@2%.,#%$=57&''-63>I?62"*1 /?,DU5H<42AVB:J<;;/:U>)#,'&!BC7.%8RP/ '3P@&&,' $5>1#$##$
		    
	"&;D#*&4-3234&)>.#);65="$1	--8(',+;;78,).?&8'!)"&6B?0&GA46.44XX;PNA1;K=>0-@<E4/")/&#,89DMQD.+:PO?(*&+ 3'6<1"'!  	% 
&/'+9514.#0CV7'/4J1;9@FK"(3/95#
 8=,+,)(('1/3+*85+,".)2( !.!()-'UL(-<8( 04UXL\kH5VZCI367ABOABJ?=50S`_@>2*%.36?M;$#6)0''/:62 
"
Y5 
-91+$&8/()!2E2!%9-4=C5
.6&2,(1'8M&9?5"!-#-)%%6%-5!1*#)CA=26"*8574">G7O>>2+8=<NVPPZ^RaZWRA7DFLc[:056-",ABYD98(*"#2G@!*,!4=>*#*"37
  %   ##&34%&(1%,(:6.($(/-+,:&":31-7$H5:JJ10B*8,2 )%*!
.))@)6@5*12-;C=8:=DKJ1*,!6;G>-=EYPSFCHQ\T=9@UA</78J@0=91J:%/7E&%.@WA).3)(#>+3&$&;	"		 *!2> !%$:$7<0%*G>/#:O.55C<F>8:,&)6-8$D=6<:*%$+* &76*")#4536B>.9,+29GGL<PDG18:HN6J6<7=<aXTC69D7?I76;II6@LJC::=:DI)/):O@354%'+*!&'%+" )/(	
  }*
	# ()"!)  . +197>'.+6E2:?05:-4-8:EE[E2+'% & #)*-;.&&*,8&/;+#?3/-+26HOF(/$(/B;=O^MBITRJ;/BLGD77EEIF:VMHID08EMXNUANKA49#LN5>:5BD<%, $++ )(%-96#))* 	
#$)! #%8.-!:KOF,.0"(=)1#+)(*1)G:468&0;;1/="+1001*/1.#,(1&"0>>-=Ik708;8@<0HP5IKSSP4%9?H9OR,CM[MEGF-#@[WUZa76<942KPL8<RJIE3'%,((,.",30#	;
	&)**/;47/0820-&,;531A.'02,:4L01'-.:/9MV4!3>% $(/6&& +:`cRN?EM@=*=9"&"9>C-XNF83O<B?);DLX.14'!:8_mZ_[G>6J=2ES:51K\@,*&(3;).)!,)% $ '   F^
  $'$'+ )&//&)+%@01/6'B0) 3:8/5# 8?/7?@<3&8	$.'#.:8! # 'KfbR78HRA754/0"E>5+C@,0AFOZG3.AERC/2%7[]HgbXIC7B>- *?6)?N6(,*%1T;+,0((')0!""" iD	 (9%+)?.<5%5;4.A96/20<?1;' @KJFF14	-0%,0#
 2)0#/XJ=*4N><,5'0,02;OE(995:MUKbJ45@745()%",=W`VLC<<K85H77)%NI>-22'&EKA1#!"",$# a w    %"!%+9VC"( #!+>)#7;-8>6&=,462@/3*2/+>NFJH>'"$*/+ =?	.! 75+'-6,D;)&F/$60*FD9HYIME@6?5.1/:PQGUPS`G;;7aQ=6.?5?H=.-0%*1VT%$ , /	312# 

,1&14&&JB*
	% " (*($713@4.7-BWD>8Ph\BR\\p^s{č~|{t_T37X\hj][b47B`iaiT\n}\wneMOT^ysb^Vzlq_PRbc~cNVUglQN@E|T]]]gSRMJ.## "	    	  !$	""
)6+%*8, 6P3!,/,?K&4"%'#DF0=B?FN7IPHeQ,NVM4gUfRJNQVVZgZEGJWNJ^gOoU^`es{jqy\UbIOirks{mjT^\`{^GXc~\ddP~j_X@|tpP2V\PGR;5$         "+1,,*#3=&'!3L5%#,-?H*&'@NH.0F:CRRDHUWw{!c	tv[Zm]dwYoxfXFkkePaVGZjosROPX}nL\ve^rytnzfXFLPtz_WRqsoVhORcr`JLxjqL)OjbrN?+<40#/%  !    
  $(1! >U?1343<2H<.3-"5/4566(JBGVPTl_BkIfS^Ybx|}bTPU|_ITAIhogZMBPYmiLVq_V`ww`WPKLSgb`lW\pnQLa[RXF2J]f\L@LdiXSKZ\>:/&,
	  ").4J7;N4C<>QE"( +,%;$7.1GX^B\ehROUbzyfHPFr,-iEFBI~Zbgg`ppy[B5Y]k[8WPL:Hxvzh_niLHRP>XaM_dg[GUfibD;C]`TZG3BY[kjiSF"'$ .5) 	 25 +	0#6T.,1#6627/+!5),-'CAPPQTWcpYWL8Dh]EDY`Y^ZZDkE8kVI@0DruaLJ|~tO]S3BFjrrahO^YP_zbeqkJEHJVhv]E<NiefLE>IZWTbK43GE& +)'
2 +7"(:D>F05*#1#$,?:FNA)GBF@>H<>Ud\F<MSXeqJ4BSvkOF?m`/"c~];Tvxrcpa;L@kavp]Vvoe_EZtr_W]8E7EX^peU>LZtVMCS]N>[CCOL+/     # %
 
"/'4@R6(1$/*%<;@),ILO89,6PVUTE>R<CgWE2@ce]Xn{jl^}	T4tKQTVaRST^UMJPCdvkJXXT\R[p]d^doQDGOaVTBN_JDNEGVC[mW=BD<1- )/      (( !	(%
 43206'
8+9=4Q<839+14JlV729W<:LC@7FJXYZSUWfh{oVOqC(!tW8f|,d	YJSb_R\L5OtrE1JlMT`TP_m^gU]PZoVGBE]dwaUTH955LYK^ihJ8OG7$'?F4
	 1	''!!	
(-3&&)464:UU6281$(FFM<>[p\;-5JIXCIboHLcl[VXtWLs
B;VEL-mC0;jpdKB\klA(F_\AXhGQgkhVKPFRmn`HRHVlXS@1J<LooZM^kN8;6,IH3#

   		*
#)"%"#! !$B=-;27(86&:))PrOBPGH12#?^_hP\L:?Q^9GQ]]@kCr$$pu+	SE5<Ith\pf\LKMAF6G[\I?Zm`LFMWVwiXSTLULO=2HfNIakeKT[R5969DK4#"  .
 " (2!"7'//8.*1BD]9)AJ,*1:/+1>L_gRRC:HW84<6XbJh
EZV^coiYJQ\Q=7E_aT@U\NNTDJ]wqgS9SbR=JGQVHQWK?L?EH,3B;H=6@</'! 	 	
 .0 #3>DMIB;&-(60(6E507KF8@?B=:3<;0!9BRbX<~Oogiwz'gZFgXYM5>WZcSN^RBHR^Y\[D;78y_iN^TYNL>4=>MZ7;FF6HR=)%.(	 

#!
 (4) -7FJ69GA:$2* 00F<T6,;?L97H@PB/*4H;+DX`agziuhTRnWavdUNCPQD+KZqdJBVR:E^fWQPF69Foc_[UQFRNC<+<86CF/2?K@+(	  E  3
# (<$/+.!'<F3,B>!)$%@@9@UQ>76<4-CGEE02LVB:7d[Ll{\oo\Tb`]^_}	<o~^JZ747::RUwX<6>85:^a[RhjQGUMECWUPGH6GF<1G3@X*9GVZY".0''   %	#:0*/%$&//;+B80-@/ /9:2A*5J?:21+31-BM=04fVI6DTa8JH4LXH@AF]DT:B\OLD)2Xg]TRN7#)<<JBTM8<?D8'+,G[fN5BRDROUA6(;U\\YUbc17/6EB6%/6>7"42.0"6%DV=9&,?:3=F\J251CQ5>A>:,#8MK<+9@AH@=HHOA57/OLRUCX[T`aKQJ027Ut{[R<BOK[QIXIL9Eb^L.8SXOCA;NIUVO(?<I>`Q@A6JO7*0KWK@!
	"0$" '6*) (!0 !H<L '$8?Z`YO;=520/MT1#B^Z`QIB@==4V8?UB8.0;@:NZRW^RcekTG?PUDBHH^shI.@aeZI=RPHSR\[X>2GIXKA48GIR9.%1DRaaV33#763)(,:+9  	  '3-	 *0%'$/-$B+:@:@;2C%/DG.-:SSJJjR[RO:D0>@>*KVCR1F\XQNJ^OUA7(-N@BEJwj]MRRKtD;=CKV5FFG[SC:OTM<47BVH;8;5!?PF_-/$0$ -E   
$	6!	$
'&#/)(#.(65H=.)@<0"-'8GJK>E\HPhM85<(6."KDXrWVQHWHTmbQ^<!#.&PWRMcneM>NT##8STfL9B:A75-:')=GJP[O6#<0=6+=9@:*8A'"-'
	4 /,$/3-.63/<FI;@'":(.%7<+&R,=.-@?QMRFEO>N;54PSlP/:FKJjzf]J6#0AGW:4J::OZV+7<B?X]NQD?7+,3$'>LFT]P2.;5?U7,3,*1%6=)&
	-")";&#2-&&$6&',<,(5IRL;@8&# ''DN`=A<LA8C47DPJBHMVJ8GDPBL3)&<HVonH>L;5D@5;\UE89=<KQ7"&-0ABOGQUG:$78IF?47>43CN_eZ&14>5''(
$-1-)-.$,# $3@&-6 +>88@@6ET<J>-$&B[NFD7LJ\:BFCD>(!+6_kG!&66Kq_RNHZH(D5HHLE+70*03>1:GO<0QLAE<@-*"!3HJG80"*,=7!5&)+
   
04++,"$" C22.D)4176;?8'.@.CVF0&,?2(K4>\CRE<>64B5-2>L1/)IQr[@:?Jf_CF>WSdU43()*<F6,MY-/MXG% 2D,$0-!,/(#%%+</GP<"    %"
"80% $>OLI.$ (0;0<J@<63(DH')'-:3-+:%JB7:.0<<7:O=@E:>ZK>-/3bOLX`RQRe_B/&<JOM?MNC:J[B,2:8)+
A5&#$%?DB>I=)(" 	 
&@/("$"F?L3/%&<C-%;%<XRA+:78$,(:/&#+/626<>D'"4:OF:2FD0N@DCE0>*;9Diva\Q>NQB:MNUCB;4@7>hD0&/?A784!<A-(+)&0;#
$2.   $ "  5 	)Q*"'9EC&011)a[D8E:77!85)&$/67DI@<?15<9970,$9>-3;5&:@Qg`TRM6AFCJVXP>6>&-;.5FJ=T59.$ (8:4,'1$,)7	3) 


 
&
.0-%076-#(5<:5="09>7P>0>4-.9D&:JTA8*"?F=5+* (?-5@78FNPYFA/6IZ6%4HO"*E<48?GC,/6!/$*!(9-%'$&3!!3.33# 2' 7
880-"CJFL2&  3=L..1<+.D?/6P[B,3,8LSB4/#: !F2'/:10+;=75'%;A<@*IK,%7K7*,B@6&$	&+&(%	 #'-! 	., 1+DC;
#38:&$9@KA@'$,+04!#30+*3:^6$!/2CJKG0. ,8((E-+4<:K1*2)-&#*MUA0&#1C:+IU1'?+ +$#! :5
%   	 $(",'&7#*$J</*%!(22,6',)&*,1IL8" ./)((0&!A>A.-6E:3G9241PJA&%&IG;H94$"(#)3#,1@)!.05-( "4"

 
 	 #' 4!H*,$,702426MF )D6#??2*5+9GS6(7LdQEHL>';(LKM[6* !18'7'"(2&&**238!0=9 9R.),0  
 ""(4&7:)*,&(*.,-86 $+'/,'(($(-*4727-6(<2AC.BOS2-DTh?+,A7N`@C0@MK0&!&)0, %"-6729-$$)%!/;4,&1 
	
  E7$ +&)*:$$(+*+!3,-5'' /,!4234V($,!80?5,B7:'&>#/935.`JAG/53?B7?22)O9!A5=,5[P62+%!::4=8"!%>#($*  
$$2"  $*4&3)--@82*
")#,20=646H88D+-/AA*47 '@6+%%.7]MIL61;1L9'$D@H;5AC+,92"7%#3)1% '%$  !+("

'('4&2D57A 1"(-B%!.T@J6$*G77&0; .<?:.4(S\KI:1*5=+"$&4EA<2/)+:3$"+.-',0
	.-*%  4&(C )" 
(3*;D80%82%-"(4*A?"9DH=@92/;%55*,"41064& 3EX513288"79>&&,!$('-@40?667=,%
	 -
    
$ &&	  ,!7&#'4'/5/2(48<0BF.
+B0>82(// *,0('6*"0)-'$:90BU>:/)(49#839>-,'(5B83)$77+,1$4"( 4#%		  

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	

 
	
  ,'(4.+($ %*&.%/5&#"$::#<B&&3%$'70!*!6$,<6;)%&)$.26)")0#+/72,<-$2&		


  
#'"*/99> % *8/#4AH*"#,+.W@
  %)(!#4!"*'2-(2+4,!"   
)'-
 %"554 *<:#,$
-:*/ -//((1&#"&+9$/.!
 .2>3&"* 
     , ,"(($,<7"$".0(#1&-:H,!%<#
!*704.GG3&
39('%-( 'F.*/:38"	
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
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 LN;"&%
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!
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	 

,&"
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

 
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$$ 
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
'30 
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
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 

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s
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-&  2'!8 	 	db2r 	 		
=tmp{f xy o	w~ 	u||w|||{
x~v
|	~svy{yz}pys wxr   ryr	w|~t zv{x zv}fwwxp}

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  
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l	z	v rs |~m	
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1.
 0;#&*
	-%
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wpzx|x	s	wu{~|{u}yry{{}
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r 
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h.<67",,	k
 s	  t	v

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7, 1   2h4 w  < )    $d~r	h  {qce|b
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:100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :23                                                                      SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:19432635                            0                                   NOVERFL:-1                      0                       0                       MINIMUM:17                                                                      MAXIMUM:162                                                                     NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_23_0024.sfrm                            CREATED:05/22/12                            10:20:16                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :17.000000                                                               INCREME:4.000000                                                                NUMBER :24                                                                      NFRAMES:29                                                                      ANGLES :118.000000        17.000000         245.197754        54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.774117                                                               SOURCEM:0.640586                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5338                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :105.000000                          223.000000                          AXIS   :2                                                                       ENDING :118.000000        21.000000         245.197754        54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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#* 4	
  $
"($H3  +
+)
(%14$0.77)'387=9+!2) 1=;5("$4530)	33"22.7,!<H<))+)8B*. '.6#/	1&# 
   	%021D< <?"
 &*3-+*7:B296/I<*$5!""$**:6.#)+D/	%5#(HF,.D@)1%88#2!;NE+ .%&14$*/% !+F0(  	  	&#("*,(-:  
'  %0$$#/-86#A(=C9$50'16.)(<4"%*&&
0NA+>OMC30#(16<*!,CK*;& $14"("$$
	 			!#(0!(
/* .-+:.-,<;D7+',!"!,+=1*>LDSBFJ7)5B(#:-85'"&+>5*"$
%$-+"
 $)'<2+(
 %4,.#	!'*"!$1(-;GV.6$"
.."
/B9+);<41?GL?@"5 -*)+%22(+(!*24
  !.-%	 
!!#
 	,/57'/# 1'+$!+0&4"' )-.!'
 
/;+%6FS?$-42?F0B;5%./)(-7<'%2$! "%

	    )%'?/ 0"!4	 @+&$56,7(2//@"$:)
!".<7*7ARS?4'.6'8?>:3'0&4;'0"*:H?;" 
$).6,#*!	    &#		 
 ' %/.%)/!		*+%54/2!)8+)>60M>?9/$$!(&2)-!*. #-41C4:GM<-,7# '673*! +1I5/A@1>7(&!?
   	  	*#,0 

90,* %G/0)!):6'@K."1@;:;*
%;7"#+2)4+1,=C>F#9%AB04-%"+1*?-.2F;&
 *%$
5   	
  ,  !-$  #0)$ ,&$4/+=,' 7765N&%3><0<>?!)5!)4?;>'2 00C6$#;?/8='$)1;/4-1@+'426-,5=CC2!% )'46,#/)>	    
	+'#"36 7   =;$*;-" )+:8+/28/=747(1B8K1 'A.' "'$ '6@I#.)(1C('%/E+6?:+:8E7K1546K>E"+ "2/<.,82
	

  
  	$,>6!1,%4/++:("(C($# &$!#'*#!) @28F*+7C82($""07.!-2%&@G78-0 !(23!&!=/1B8:QR568+@8-,. '-"#"&#!*%%.		
 	 	+D&&!5,
!&(
'&(.,& +)!%& #?5F-"=L)#$.86,6'"-0!)'#-594, .% 1,)-1,/*@D70RK);C/+)&$*5-!!1."
     #"
!41 ((	&,&#.#!#%!",(#&./.*;//F"*:?+%'(*;0+$"3".*E4.6:$-!#FC3NCB6=77.C*"0.>@0)+..'#2
  	".) $
'$-$*
/A,'+)#/,(#))<C@K5%%#15,5?F8+-F:CJA%#'%,4/*!,1*"-9BE/<JGIP@5502!#EZ*/+/-)<=++&)8$/- 	 	 #))84 *  (	4'*+62 '487%"$5#97)$,/2A<HB.$>*%)(D><.0,$9IKLP></293,!(0:28?1ME>.@XXD016;*>09C%!;!$"&2<1
!!)!	
 
!(1.B5-#%4#5@=1" 
9!	*<B,+/#,7V+(.#2!=@/+#.D20359191V[TH;0+@117')!$5KN9<C48/3EQ>06!9BZX?.#11+%
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%(!
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,!!*708;""%B9$($#""EL;0(AFM<&,(,+-P;7)>92>>AI&+)9>@^_C@0#206&2,3$	)0E@""(+% ;<"%'"&4!"
6%)-4$+!"(%3(($ &'8:94::#*(#($&H* .*3=.#$!,2#,;D9U68HI9RH5;36$,CG8H;AB?:&.*#,6%.410#$!0#8EWJ"+H?097,2# %65%0'.  
 !
+ #!,
	#$(%$*/! 4-)$#(#%1'' )4--/) %& &&)511[VL92>>8+0256!)-RSFIKUF6:?7>9K3328:('2=V::47G4JC?&/>2,1$(%) '=&
   	
#
1)%"%++54-! <0,%'8(  &%'$ , '+-G>#)3)'2B-)MDF1#4) &!;HF=4>QXCNKJ=H?QD>@AMK#"4LMD&.*9K?MLDH7>G()&0/4&55?777.,"3/("
 '$% (,8"/$+$-4/!0"
"#@!*"+8+& $;# + %)3L<37D<4259@)@^ZN_:EE?DRBQXF+JSQHFOD9LBJ=80078,(FQC.A8F54%'-9%4*'%)2!$, .& 	)F0*0)-%+8 *) :*&%+& 	 .40,%"	(?, 6)(CF<;>D9&#TA)&AKPjS825D=9H_>>0BEIC<7KYHLAG=!1+;-GH7?,.<RUB#>6 #91+-"
0- " '$/-.$-(&#$-&/$+#3".,2*+,8N>,BKC;)&)GH2,:F;2.B8')3.$0"4+UZ`;9*.4;:.,11-//:?ReF9JK2)*5SDJO-C1IIE8, 6B9#$*A// !0) 	 
 	!%,):2/4,) B/"-5,:PA)#);A@E57*A8?95/856=320:)01I?1004)(HG<GUKK(++'!3';??HMD(7OQJR^YD+@D=I4%,%
7BA0,';5&<5& %':3      .+/4"-:*E9,+(/,%7"+"+ 8#(9P6+.9FB,)'693-<77!,39L30*:MF2(9(-.9CLR`ZD08)(+ .KHDL]_@01,@DQal|[?/ 7D9/(6% "	**:'$0''! ")   	 (
	7,)""'9**;?S- BN=!72 (4/C: '*,8. #EH25 -/%-DB:8P2/$&)->205D;66TX8,<5&;>U7889,(2:U`ZNa3+'/%/<HsldE<&@T`W	%-+#('&

>3"!-%&	 !*	  (!4'  !%'",:C-"-,(-$&,1C;,00)#/ *#@93#,:!
 91#.( '1#$0*"%IM) .19)2S11 &<JKXdDE>;56@!-5P_bU\D>8][D)9)	>.-!6O5"** #$ 				6$
,D=' ')=/+4#+,"+(B+:+.!&/*!"2' /<3-8,)&1%+  !8Q@Y`6<F>PQJ($,5D@ATT(0@N=;6"(L) 4.>9;H3$*))(%"	"# 
1  
!"';H*&*;1.0%2; 8A4$&!(*-%  '8!JD/,)*!975*,.%06*"=6#&(6%*,*(DaOY"CSPHWK9<209B- -45/JAL9:+4/--(0 4--6-)!$5//3&	%-#	  "	
 	"%%#.-
,<2/NC4?+*03,/ !"+#:%&!,'
"75&&M?<$E,)<1<B:@B`#. -?==UGdjgY;3VELYFE67.#J?HK73-=6"2LQM?/,/A@=6B6,2D##! 		
   !1!$(.%# 43
,B=?PI2'+#;8
'( )K902.
. 0& (0/,6;8:/"AA<GKT'!)+8E?.QXAJF5@:ACQRTNE45/AA.6/55E14HB4@VQBA681;3M<8,&+C
&.:< 1"	     4@'.1/9;4"	%9>732'%!
	?3152&!H7#%'-2!.B>,FPI*&*@L54;2+M5E1@KB1IC5H499IZTTOYP?B8>99(%,2J<@DI18NPK?3?6'8JC 9 #'&$"$#  		&"$	!)5QC97C!&	(6:%	)#4C"
2'&
&0"0-0=!%8<+)	$2:<#;45*>CJ7.=9I?-4.;ODL.AHaG@85=0FK\aF9?99;6C50A>24'?1&DE.(%;1KA:OL:D9%<7(*$?$3,!2!(-	
 	

&0.2;<@P 0 45*(03'*$'5<@9%'3;9(01:+ 29&6&'#?6*%-<:!&'+.$<3MK;,<U7?ZN2>@MeYIB.3GLPJM18FD=,, "FZN4%0D=B0?,2;7D?2*	$$(B'%,$&(

 	%%1/54$/,&0-32>0	4**6%)17,%'25<2".+&<;6'&$-6$7'/!%"!!12,,7.1))*+<AC/E`8?in>'9.8bIH<?;2EH@=*<S^, -8%/!N[XIRMUI8"#),:,$"3,4DD#*$%"!     $)%+'(#+@/)&#6$(','2%-&,(3D53=@.&+$%.0'1207  -4++6$$C ,-5T>7>0LJZ]E'!MH=A6;C%3P<7PW_+!2-,(+LPKdjNG3,%PN9)%<@9**1;<6'8&!%*% ** 	!6@;$(*+72'  ++' 74.#($$# +$>*32$E= /)*(!#,7,'-/83	 
,0)4-2FD7JQPE/8D48CFI0 )4GhI[K;17D0$RKVJ@HS(##:KI("K28,$$/8BBBI--0* 8 905!%&'%''0"$=#2H=7,-3% )4$10!!$)1?28#)"',$	 %  483/" 6$4$)Y:"8>K7,-('6D917PB;-8NUAPRG<N85ESP5(.@?*-81>;3"<X92;8180183;3;)%"

 	
6(" "% ))0&!'($&D94,5%!!'$20&'9C7#/"));*-%
	 
##)!6-:1-/1(+Ub>66,%.0#-C>TUT4:CKG?H:('0YX;#%5..BS;34E2IUF%D>E6!)471/) 
  
   6#+32=,$9G67<:1,	 )225@/5(%5#%* ;   .1#*:*<8<+*6(AWd;:A*"+)AQQHkA;<A=D}S8!0?=5/AYL%$!AIGSNL;277==>2;B1"(   	
"  "?E06 )(6?5#1.3/0>2% 043&;4)(#%)*:6/124?"-++&	)  #6+<G(.M9(=4)/E;-;=B=/>;/)SPTDOEKEN\_@B7,NdD+1KQI=/73>;F2:DB,,9/.&37),0"
'&   	+++%5?$0 $22+&+$.!!&/&(# )*.*$./&F>>'07!%91!#  	#&# +A/=1-)+021)'0%)+IB>A==0;ACMJENPHMkJ392IY?$67MY@0*A=5C4'*0 ! +!($ -=/;4 .@@;*?&"%0?G<(=H7XNHIUN70SHSHE8BTNTeE:W\YF0ARvWWH:lugNL5B`LE\XQXWatoTHRbXSck[NM[o}zcSVM97&HEWSUN_G-#;26(&:G29K<4555@J:"/$" )&) ! 0?@C9(885 &(KX;$:6H3::@N@Q=4HJO@@;LRQXVRJr^>TSeeXN6;BaC;:8rqXBaVMVcTXisrde\dZX@Q`\EKlg[`BV]hfIZUYXiKN_k<@ALH/4"$%&/3B>8YJ"JJ;A_MM2(" 1%$ "# $8H7.&D@H=)$"98<DB@4*.*)402JRUJCPpS@Vyl]j]@5QjB3=Z`v[SnvX@W`IXb[dXNP|^NYaK8HS^^@\aK?X^TZPPWdf_eiJKPXJ4*5=/+(2A:IEEDA9cSTG6) ))0 $&,(01$1'$"*BB=((0!"@AK4)83, /HJNIUPXQU]fbG>K/*KzE;A^^pd`[plcDGUTWRK@@e\WHYIPFOJSHIR|][OQGh[[K?;Ytc?UZ[S@6JQ623(&LI@@`HTXGK,'."#'(
	($#03
$!@1
31$.7JR483)?* &%44IJ!. (%4NVHS`AMITe\O2*@:D)#FFPDWbfsh_loe_XJPRhrHlrTa^SPE6>A?KB_yoULJTPeiK^[`9;]YSUA@2`H84.!2A: )XH:87+&!0.8-(', 
,)'9, $$+%!1JR,DDF4.>96?2+(*:G521CPPYWR/9KVpN&6A62&0OiG@HReweerhPXVGDapzjdOXPRPQKPL>jc}ykT0;XYIG:QM]AC]H@7LDDgN,F><?B086>'$-+*9+$)"!# 
  ("3D3-DB0)"/$-)%#$-AG81:8,C>AZG><KPD38Ll^Qlt~tS?6-)D"'6WbQVHMS^VV[fZercPRekhVL:Ae}fAJDM[e`op[N>vdba57OPv^XsCBO^69gZ3VJA7D489@FN.4&"%0?+ " &$  	# 1JK9/627D;2B&2-240(%)&M*,3A$7BGMCNOOZ6<&3J_T_bn~cVBK7,8)1-OdS?8PD*FDH`iWkSR>FUX_]UW||mOO^Y\UXmlm;ToyinR_vij]b`8:P\C;]`NIENQ?"*3GH@)*E)4>F3%DC   	 	 (;0?8-,,8B>4*"61,*.JQ7"!!-(4A0:5/.'1<@@NfC=&'CNOB:EZ9KNL:9J8<Q`dH"4C85@G>B<:KJKTBXVZon[_zfVSd`?^YWUPNj[j^MSnqucUJA:GUF/DYRX5CK4(2=5465-+HGH82 ,A:6(  #67'%(+'@:/ #
,B-"6H5-0/&.1)=8BPK=4>GB0:*'IL=::A@:?"2I=\W0*J!.ABRI:2;tRFRWJUb[SLOQMLY`M<6WEEL^i_W;;QRKYU=@II7W>,<?@TJA@6*.-3/*6M<XJ>C% '16>##&5	   (!!1><0($
%%"
 BG6'*>*!&>:"!&#:=29A-:H6CQO62DJ=D1;T?%41WHVLD\\`NNaUE\YCLHD<JNN86COc_YM`]ckE:SUGVXM]D:8:U%7a7+5%&6-<B9+:BFH;0! $,+1_C*8"    &	17?7()
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	-&
2 & #14*-!%$HK':;#GCKK6=45F/-JG;BSNGU[NR6"H[6.::=IB8F21/E+;DRL:Yd`B7AC4;677=JA"(/:BU[I>G>;,B>*EHW?3K6$/=.32H<%+'4'&G40#%*G	  
#%(
$9A=9<?D<;HT81.;5F&6=583'6Hfrc@A*NICPL$%,8ECI.<4%<=41=@VgG-E`JJMP/C[N8=#1.)%5beRVSLQA6=NQD41DLQ5N/)(8+="1!%
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<3*AB?=4,::4GIB 09-,,$?C8('9@SO@16,-SQMQG>@<:7?4,*-GEC(C2N]>A;<2:VXFCB4-;8#'(Rb\KK]Z\B/=IPO=FI:96619<V76'!'01= !)=2
6&" #.+(/52(>>0IF66DL\H2!( .@CI8"5,,BJbTVL<UED^UBF(8@92E2.64QG4:GHQMN577LEK-(B@O@IKN;B>?:=DH=1+!*.=PUN,	 $3. &-0/((  	 "$)
40%$"., $8,$+3#$=4B*0I=;939#-;5':EC'8<F:BP:PHRObJI.&?/4*1K\bMI9PKD7OR<NWV<#!;7FGIUHO@>+561IF=#/FAX>!'5& 	,04.  
	 $)"&!
&,$
@>52$
$ 6 #%"'<2$""#4, FD"#3.%AGM!33.,/&6HWJN@>12I.0*)Q``M_)38556T@:W68:$%=,)=VIECPD;*2>J*7(E;4%>&%"-.$
38 	&+-01
84*.$ .H@:+*2#2(78.5"$#4>7"3;7<0CN:<aB+06C=JDC<DG90,5(*P8LKHK397*)HF2TI:!&::<-5<?=Q:<;)'1ODF %9<H@.(,"$% 

&   /8") $(D4-%3'" 1*%"2.# ,#.=0)*:=86=B8Z4#4DK:=@K4+(=8.WY9:F6G;IK*)WM>DG/7IB3@0'>H7955#(#<L:B1+7U]?= )3,1)	 #	   

/&)'8"")034"$,/	@C,20&3'#4?&5?:PZ;7+;>7/AD%"0(KXB48OQ61%26>9V7))2JR;JTAJ.0"'KAA;,",&,28#5BM:$+)E0""  
  

"/% $  85)04%-
'"
"AMA,4(,7>0&DS\HH30"$.0+#3,2J\L8<RJ@<>2-F2,D;3>1,!,-7+-?13,+#--;*#%).3
5%#-%
 			 
	  !. '("!.7#(3&60,&(6J>;-$74,2J7Xf>00%+.A44F:(!:M_F?HBEHG9B7/E+HCRB+2;5CA2.>>
 "+ 5*86" %%".(8#(#!"	   ," 
" 
"*! "0+'6!,@9)$//'8#)4#+G2&6461-0^N<&%*.@<AJUHDN\B.:D3-0JYE=2B0 7M9/"))&; .7'94+ ##/6$)!"$"!#  	



"-
+  &'5"$8%		'.'<:/:P(*+' 346./.+(MOB)9A.L76%0>6:F'$.#9D321'*$*I=+)E@9%
A.
)6E9&)"9  	 #"1$
;&#&0- $!$4666"678)("4)32&,)00@60]K-IL9#2)-'0-(.
,4)&E>ERRN*' *3
*%/?<%%   0	:($ 84+68:.),08C2,$,!(20;04*@:54-,20RJ01OC.3/"+%8-%BE/	-J,*$FK;9X33$,6.$*%$'6 
#+"$

  ) -#%%!)71*'@:	%%627$*C-&4@(/'#-LK--!(-:9<96.,*C7)*B8A6N519>54;86.32?!'-)3' '-)+!!'
&=
 **"/*	&.0K..9
*&( 0Q;+AD*/,)#2(&/%6KMT33$$;BA+ '&887+.@.10"+/4H78(9(/(!!!""
*	 	!E79%$	"CR;.!&-0",DGQ/7>'"0' ,	(5HJ<+4*4<@[k]E&*%(!)3;)=-,/ 3/=A)>23%&0(050;!		
,)H=	 ,49)*%$9*))*1-@4 3-14&83&*340..63/<81$'7<<P\HJCV;.*%&2*$".7C@,#&#&	-0*%*#--(3
     	!	*k6#	$
%6;2 "#($-*$8*-*,.$*:5&&+*$&8@(>"#0$;GC59D(,2>&#&7.5 )0("!1<$04!(!
  
 3^<	$
	#"$
)6 .36:	$(-&.#+$++&43#/%# 9JC8?/+?71A
30/@4"&5+)/
$/./   #j-!" , ':,%-!&2C:#*&0.$-/").*4G-$0</84.*,-2'|B$&*
	  &_L, ">/-	=8$

#  !>/#	#%0% 72,B/&(*0)75"BBG9;*3#&IC74% :#&21+ "V;&*)2 	 		%=LH$%$,2%73# 	
*= -FJ 3*,3$3'#*'>(%#1(206!#'@<:19*%C@8A0$"'<$ (,".2()"! 	 	
Ib\5&	#&, &00"3.#,6 ??B.(/.*(68%&+!'-H5%/(,
0/) %	  .
 
 @)B		& "(
	((&2! <(%#!4"96 $'0 09',-'"*.51=('"''	% &
  $jM^~	V,-%$#+!076@
 !(+,),")+"#)0(23-5?>&'((
06"
 	 	X
%s	OG :2
! $!*$+4,#))"00%(.IR$
0 ,$.$"8+C,6&!	
		4$;)< ,%,'"(.4"(!&!2AL* 6
"& ' /&-1&+  !$7&"  
  
$D[$ 		0., #.+1
&
"  *6':A"%& "	


!'24    /4XjV/ 2I4-1 
/&( "!  ,>R'1" 
/'"%

 4$#   -,$$,RZ":G4 
 
) :%=,&#.4'  #  :U
H 
!%E=N	l ("  .+*(0&"$#)%40&  }L 
 	
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  )%  +$%!!-=$##'(&&!#&*$ $"!-#%! %&/,%$)-%) #'$&&# #'$  !'!")#$*)$,""#+'#/)%"%.$.)%  -*$,%+*.'-&(%$'(('+$$#"-'(.!+-(*%*'. #"!!.,,+*9*/$."- )+#$>*&)#,$+%&((.!,&%')*.)&&""%&!$,#%',$**$$%&+)&-"$%%''(!")!#./ +/+!&!,&!)&,$)/9 %"+%'''*.$# %&7!/-7-/+9/-<!43!#%2:$' /7-*& ,><!(9>=%;9#?*127=?.% -"08.!#%"$? /">";%&&9( :)$79' 6$: 542:9'!*.44$-*):0/5?#-<>)&1$#=)6?,%" $6'7&7>2,/%&<1&?1+'7:0*&=/ 7<,".#2:!5'! ?,=?9. $1*'0,,')6&'#9$#"$5.=!%)6+#&- ((0*"*?*%17&+&*( !/.$"&"%$'%&'%7&
++!&'+'&%%+."*",+& %%,#+&!!&$ $!'!&"(/$.#! ''%&. .%*.#/'/#,%+#%'(-+%-/+'!%+%/*"*-(#+,#.(*,)"/$+&$$(,$& %'"%'-'$*")+%(' &(/&-*$.%
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521++-0/5/*%$QQQ9Q:Q                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           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" '&&%&#!%$',/"%&&&&*"# $"& "$&#&#&$& +'%* #*'###&+"!" 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:100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :24                                                                      SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:19553988                            0                                   NOVERFL:-1                      0                       0                       MINIMUM:25                                                                      MAXIMUM:167                                                                     NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_24_0010.sfrm                            CREATED:05/22/12                            10:43:14                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :320.500000                                                              INCREME:4.000000                                                                NUMBER :10                                                                      NFRAMES:48                                                                      ANGLES :118.000000        320.500000        270.608398        54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.761906                                                               SOURCEM:0.641758                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5333                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :179.000000                          277.000000                          AXIS   :2                                                                       ENDING :118.000000        324.500000        270.608398        54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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:100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Phi Scan Image                                                          SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :10                                                                      SAMPNUM:0                                                                       TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        TITLE  :                                                                        NCOUNTS:47709038                            0                                   NOVERFL:345                     37729                   0                       MINIMUM:24                                                                      MAXIMUM:46977                                                                   NONTIME:-2                                                                      NLATE  :-1                                                                      FILENAM:\\Ithil\data\char419\cu_char419_10_0019.sfrm                            CREATED:05/22/12                            01:30:15                            CUMULAT:74.400002                                                               ELAPSDR:37.200001     37.200001                                                 ELAPSDA:37.200001     37.200001                                                 OSCILLA:0                                                                       NSTEPS :1                                                                       RANGE  :4.000000                                                                START  :317.492981                                                              INCREME:3.999634                                                                NUMBER :19                                                                      NFRAMES:56                                                                      ANGLES :359.316010        0.000000          317.492981        54.756001         NOVER64:0                       0                       0                       NPIXELB:1                                   1                                   NROWS  :512                                 18153754                            NCOLS  :512                                 19136796                            WORDORD:0                                                                       LONGORD:0                                                                       TARGET :Cu                                                                      SOURCEK:44.774117                                                               SOURCEM:0.641172                                                                FILTER :Mirrors, multilayer                                                     CELL   :0.000000      0.000000      0.000000      0.000000      0.000000        CELL   :0.000000                                                                MATRIX :0.000000      0.000000      0.000000      0.000000      0.000000        MATRIX :0.000000          0.000000          0.000000          0.000000          LOWTEMP:1                       -7425                   -5356                   ZOOM   :0.000000                0.000000                1.000000                CENTER :249.130005        256.769989        249.130005        256.769989        DISTANC:5.000000                            5.000000                            TRAILER:0                                                                       COMPRES:none                                                                    LINEAR :1.000000                            0.000000                            PHD    :0.960000                            0.000000                            PREAMP :1                                   1                                   CORRECT:0102_0512_90s._fl                                                       WARPFIL:Linear                                                                  WAVELEN:1.541838          1.540560          1.544390          1.392220          MAXXY  :266.000000                          170.000000                          AXIS   :3                                                                       ENDING :359.316010        0.000000          321.492615        54.756001         DETPAR :0.000000      0.000000      0.000000      -0.118400     -0.049700       DETPAR :-0.089500                                                               LUT    :BB.LUT                                                                  DISPLIM:0.000000                            63.000000                           PROGRAM:BIS 2011.8.1.0/09-Aug-2011                                              ROTATE :0                                                                       BITMASK:$NULL                                                                   OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: ...............................................................&,*%$*(+-%(&,(!)").(*$ 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  . P_[gxz_C I3wnBkxVz[mpE{IU|eedI_Jx~bef  pVxv{n,3:-75;	 </Y  0 70%N 0 W$-/"8 9;MU:- OYh	 oRZ<CLtS|uRZ`LY.PaV|{sFfXJdIhYOs_h/C-8/)Yj !J
 8( 7M,/# ^410+1$;8 4?>+4?0 
 o@PQh= xxxMI`~ej=KA\x Lh Iacw
CrW ] aJ*?}u  9s`_kx5x~50hzH*;YU> Y}aîbk  :-W<k\ep97vCyvTA{svL lagIHdxXFLEIVRU@rcKT bQLoC]&T\Z/:+ ;	 z<"'2%%.7	7f # *(<6+  -#. ~\zgj@}rd_1p`~pyCue0ZYfppvs\Me-. B8O~ ~
&=).N u.T1\Y(7TM fCC1<Q&2 77%'?4'&  
?/ ZlSVBePQi}ncrrWtkK~VG#E	2 eRAbY#:CT~s Q F40]- 8Zsq$&	(O_$01.!,Sd-# *?% 0!&?6$dNOytlKeF\GW9! hQ3 (<R
vem9Y
V}WO-n SSr jOHc65A?< ga $.
(/64'/	  ,1 &5 1(NPBQPN_plU
G@Cgg^kWKI]wPW\|kgEfsLLmyfo p](mm  Zl
 n~b(=4 9=;9<
8>,/"*Z<&%T\+7 0>  7~~\Df
 . ?b:,7sX$xZP>x5 }e}^P^(>epxw ~ ~oG,8= U,/7%3"1 /3/	(
b(	)+=2 ->?:=:(#63 :UVuo~$yl]O.daEhdMg `fnYcLl}pX|}aI. NFypx'Z@uzDzYu{ATJpwt3wsbRI}ixpneML34SacWWdm|K Jp]_t}#,<v^il?(3=3)Sk:%).u>/.7 <KB7MLAFARNiiGGlSe[ XsKpY[NDw@z]bwa~xOiaIWV\~)lt&[MwagbRQMV,acG1"# 1, 
8=T -':+;11##-  <:R;=",RAYMt&Rf	~{ U2weN{T&	Pii}bvg t<VL8>0rzRMzCBKeSTjcbPeiTa^JdYgoVB  mm{bCo<luoL@uVC1-h{G?)~\JN+-p/mI	1)R| 9$C*-/		#)3&"Uj/. *(?  &'-iC&#Ml#~m`%Pwq&^n  7pWYQbVA:9 aVs!CeapE~_WVZyOvCGhqdlf`QQzsOq}g| ^WzNYHyz o MH%
Jue_KZyGbr ->>h*=/o0Ez#! ?74.;$J=& %;01&$2 >Te
4,a/is j!-~ixs<95Tkjs{ w%^6g[1ZE*4[^!AGQ|^HSLPKr}@^jwYAFFzyHPvgR|qzseXSHENiIJEpC]IfgkKq*b[{ZLP|chg*:'5#   -'3; "]6% 
+ 
,
 	r7	'7;"7 (5( 3#8= 5\V$&if,kJIu&|8 wSfax/zqs^C~~| qi .41-% jfr_PRv\N\\aV!ItH}bn\qpRmyKF|| UswmOdAQ\CfpALzFj[2ylxeQGsSu[u,	H%$/_`'/	*&2
7.85 H<@=''(#0<	 =		 (.>+%t u=
NX{[auetij c+4A}mSuuum )p	"&-)s}?Gn3:bECgg] qeLCkuy|jwiyprwIwdc gHQEoUghr}F4PnH qQT4Gt]@gLb z wfe$r?&k	7+88*& +$P)$!0 /8=xv	<'<654	*NC$8OkPF298Z*o>'qWWr\

)dM*"c	E_XuiZ{dR8m YtUyf7$ * %xL pk,B^Zt}rSW[dliaPr|A


"HJv_PCak l@_u{oaSY8vP^WxxmH"SyC0yzD
jZ"P:X~E	#-: +.*/>*=34= 7 877  7+/7?$>1.*)s/-RGKA4Oq0aIk}j7<7SJWw(fkYV,:7ms	0G}q { oo^AVBRqg4+K55/0 ?s?37|GL9/%Sy$%QC8 JSg&SiPHg}NU` htq~f\ttBkBH~\npfwgswo xEwlv+~tO91 yubd ?? >+&  &80<0  >>!>1 3!#8-qVG2y]f`^mIMB1sF327aLF|mA{]7vtgkZ&#gX :`gv 	ik  =aRVZ %,__V[+FA0Q68 :": PF+1*s=
N@)M%=+E|e@F/8(LpM`hHTis|pa_>S]YWFQJwowfFJo<8%?&4haYA ,vTvMK4*&B . 0>?+4&\'+<%KS67  b G_Rz^J CMHL_NEWL!'QSFS!&7RB4A	3Z`4	fhh3L[9FDA*1)8|o'-vOp
=(Ut"<0*lau
GQ;NJ"8=?%+<4nie&@<`BLJUO~d[ERgf:]Fp.N@F-pANZ_gGbTNmNW/pK|]nv {}y|'C .NQP+?+oH s%fm>d?s23I" 6EYmoKhy{o}LBZ`jb/Z]Z@81 f zwT21-7xm[s9?- /"|nBrS)Gg-8sheVI Sv4	S"'*,G 8< j_ -^|OdU^G-i"F0
- yLFp; -ZHs!-,YV`kAUs dF^ly1Dba_tJ6,b{bHfekAJcb\yjnizL[omejjU2&ELxvqeqdf04dQQ{)Auz]Iu^UU@.T1 '2S|=8-QGS)/
"D +7U 6 : 2;3# [0'	?
 , 0&2+73R5A 9K%_:]((? DC^CHohG(3w\<@BLq6	+FORMAT :100                                                                     VERSION:17                                                                      HDRBLKS:15                                                                      TYPE   :Omega Scan Image                                                        SITE   :APEX2DUO                                                                MODEL  :D85 [08/10-2338] with FIXED CHI                                         USER   :Bruker                                                                  SAMPLE :                                                                        SETNAME:                                                                        RUN    :20                                                                      SAMPNUM:0                                                                       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                                          OCTMASK:0           0           0           511         511         1022        OCTMASK:511                                 511                                 ESDCELL:0.000000      0.000000      0.000000      0.000000      0.000000        ESDCELL:0.000000                                                                DETTYPE:CCD-LDI-APEX2        83.333000   0.000000    0 0.254000    0.050800    1NEXP   :2             549           32            0             1               CCDPARM:11.840000     9.810000      78.000000     0.000000      7440000.000000  CHEM   :                                                                        MORPH  :                                                                        CCOLOR :                                                                        CSIZE  :                                                                        DNSMET :                                                                        DARK   :00102_00512_00074._dk                                                   AUTORNG:0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 7.440000E+006   ZEROADJ:0.000000          0.000000          0.000000          0.000000          XTRANS :0.000000                0.000000                0.000000                HKL&XY :0.000000      0.000000      0.000000      0.000000      0.000000        AXES2  :0.000000          0.000000          0.000000          1.000000          ENDING2:0.000000          0.000000          0.000000          1.000000          FILTER2:0.000000          0.000000          0.000000          15.500000         LEPTOS :                                                                        CFR: HDR:  IMG: 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& #&###"*&*%#'+$-%'+!/% &$##&''!"#"  #'(WyPWuqN474!"$$#$&"-#$$(&--+!%%-!$&'(&&!'&'%- $ +"$  ' "$& $$* +/$'!&) *  GBZMLKT934"'$'+.$#%  .!& !-!'#/&*.!"* $-%%# ,!#'. &(&(!(*&!'"%(&,#,*&$%,%/W^\O)$,Lgbib!Wnbmpad_l-'! #-#*/.(), !. (/.*&(*-+.# ,  & .*.).!. *': -(/&!*VGoB-$7OUJ];O\N"'#!#'..!&#"'$'% ' $ #&"! !##/'& "#'$"%&#'*$(.!&,8'-'$+( DMKON "9N4'[=9 =50+	<P!zR~h$CH]DB"HAM('-'.) ("!$) $"#'#"&+($ ",.')+-' '  #WZIS*,&1Arvjh|&"$*%-!, *.%62, ) %!& &'!"" '""$/!!$&("& "*"*&kCLeJE4' *" '!  . ''% %(' &). #*%#% " $$&#""!% !!-$,%/&'**#!,  *"#$#$RFRECMB:!!#!##$%$!  !," ,""%"+ )*#"")'&#"#(#" % $ "#-('" *"&)))'#!#,##U]s&/(%4 )*$#)##&"*#*.(%. #%*!#)&$$.'#*  "-,-#-+)(!/*-**, $"',"#'"3(UFBSCZG6,6&!%'*$!+*"%4 *-!+!/+/"'*.+ +) 9" #!!"-/&"*(!&,!-*/!,-( &"**.&"#!-jCdLI( =$,!)%+#+#%.!"""*!% (' %".%/.(.(&"#+-"%.)*!.%,!-$!&*++$/'!#)(,"./ -.*kAZMC  7(, &#"%-.* !8'-#$!'),#$#*,! (&#-/#!("*,$-"/%.)+! %?"!#&%'!$# $RpUur"#?$ (&)!"& -(''(%,!""&$ & " $%#%#'# $. '!!!"-" #&$%&.''"%'!"! &TvVq{'8!#*/"'//*/,$%,!'#! &'"#'.-&+'#/"%&(%'%,&-+$/#'' .&".%# "'&"$"!XJULM!'=#,$#& +.)#-.*/*." /*$&%!'$!, "'" !#+$$!+! -!%"&"#!,.-'#&! -&*."& !%&^FS@r9-(#%$ +!(!$.$$, .)--#*#%-* %! $, %" -)(!"!)&.#"!.-%"- $9("&#VJWBA&,8.' /  &&/%-%!.,$%*/-' +"/"0 #.+,/"$#)!$ *"$!/ !)!/$% "*$.,#.,(_JWLH"$8#* " /,&$%" "!) !+$  ++-%,/, ,"* &'-/""9*+ $"*%,,/"' ))!)'+ ,(', )""ONK[MZk93;5::25$#"'##+'""*%"&!'%"#)!". %0.',!%#''"'&!*!"!##& .%#!('$LJUAWKO3(6$#"$&!)), #'!$"%"%
<.!, ' !%!#+ %&!#4#$ !"&$(#,&#%%)%%/LDBFq^K42=#/#(#$!! $+-%-/.'. ../+)!'.' +&.&%#$.#& //&"#/ ./,'#$% $,"+.!HC\HOTB4270-,!$-!)!!/-""/.$$#/&--.& ,#!&  ,&#!.!#$!./.( "' &#$&%!)"-",  NOZACG@4-;,+,.##/!/&-!+-.%/&)- .$-( %.#/)"" %"'"+.(/.#- &"$+%.-/).###/%"@LBRH/"7*:%$5(,'/*#&/,((*!(" - ,# !"-+&'.'!8// $*-"9/)!,"/(+ $./ %)!(*#.,$)$KLOLEEA5RQCzPdl_`a|a_afeD227VgvPfmpox\2	\>4;(CgNi%"%&#""$"&*! $#'("%'&$ &FUDGYCB030
.74 $&# '  $  #+" $##!/(#(>2;95;0 &.%#&"' , -&$"&"!!-$ DXMWAEV<152450$" $& &/ & $""!! *) /!$$ #-& $'-'+%/.!%",'&"$$&. $!.$&%*#&%KEDP]D\66/65256.&'/#&4/024401&+', $.* +##"& */$!$,")'" .&)' $+*/##-+ .$## JCCQ^CE0/814442'!,,,7?2<04'-#-(+((!)+ #-&( .+$*(.). (/%+ "#*" /!&+&,# %%"KQGqJML2<,%),.$$#'"$.)"*+").#$,,-#!!, .&#(),*#&)!)#$/3!"-%*=!"!*+-/;#+-$#&.EjQIKK4:-)/7!!:&98)&$(*-*")%+%&!--$/ *)&!' /,&!&/$$/!%$(%"-"4/&"-/ #-&")%lAqG@"(151<?)*!%"#&,"("-+,"/')"%&$#' $!"$"&! &+(&!$!#!)/"+$ %&!$/'%iXERQ 9111,5357=#!!"&#%$-$-'/$%/+!($"&/.%. !"$- $"$$.&'+& .! &!#-/(.NND_BL@24.0=<:68#,! #$ #$-%,"!',/$/%&.-,".) & &#%! &. - )!" /#% !%(%-''' LM@NA^.56$! *#/#&-(&#! $*! -#/*(.//,&%#'&'%'% -,"#/$*#"& /(( #./'.!) '-!GFWDGCR>6>'/-",/&**/."(%,"+&##*" #/"""&$)"***('-.)!$"/$ -#.(%'**-AACBC]"4=1-:70=16.! '5.-,$07%6158;9'#)$#+*.:2!2>(28<))!* $ -140 47?4 ##--..-BEW@n775$/,5+&2 $"&- %),('"/ 2!&#&!"''#" $%*!"#!  6&&"% !!)" '%# #!% #smL]}MD92  '#&")!+!%*$& %$!#$&# ##&!)8&,"!%  "!# &*'*,'&#((.!!&)HRN_Q # <69!"'##)%"" #%/)!".  #" /.%#<7;534'*&  ,+-%' !  -%& /&-/)(,.OAKFY$#91=2.("')"%"(!++#%,%"+#(!"$!+/' ,$,?=6:>1-+$&#!/ " -*  ),&/#*&&$.XOkCL_E6?.&"')&(-."'-#!$".-.%$+(5 '"&), /#("")%/ #%'*. ( ".*++-.-. + ,HCJIARC0>+ $!'%* -6%=7!'#/*(#-/!'",())#$*!#)./&!#,.&,,+$%"+--$,./,//"(-%,/ *)&'UF^DNP2Mt".//$#-'%"# &!$#*/*/ +%%+&))'-*&///"& .(- -!,('*-$"&! '$$WNRS@HM821 64;22#*.,!&'"-"$$#'$ &"&#&/$!$ !$/("$""!"# ,-&!!! %_OiVEMA94%0072;%#$,&"$!%$*) "&"###$'$$#%&"&&'!#$!"-/% ),*)-!'! /'*-! #$- -&"}GO]{R/9Onxt`qs)Yvjrkaaz]z"$%.-/'$&%(',%- ! #/."-$$-!#$!" (!)-+, !&-&! !'&NDAJ!$30#?>4604/-!+  0+?><=4=,%&+$!0"<2
00>&.&#2+<12=91!,'.' 1 <3520?)&, +))*FGCA!* =<.3=4340".,+  -(!.  !/!, ("#/($-# )&-#%',/6)-#(''+7#"##-,*-.*$.,'FH[PrP#?100:3>#"!$"!;-7:><43&&$'/(1(1:;264&%3-(>#0695<(-%': !6!2<5==#"'(&+*&/|T{Xw\$3	#:>6=3& $&&$5.25612($,#&#:-37071"(%#+$0.707<4#$''"##''@LTRKIW;	'""&!# &'! $! $% %")<:2<* !  #'/!# $$ &!=>7? #"%'%/ '!+!#YHII*#!70.6215 %& ' !#-&4*370"%$!.""!!$$,!+,(>,:0=?62$!! "(''&(/,# !$ABNTNS,=254#=?5154#.,# &200<640<2-.'/.##/74"07??;4%% ,"%('7:845??$/)!&+.KF\^LGD49-:;>17:+"*  *",!+''#2-!/!)*,$$,%<+
:562+*%*"!!"&!  ', +*# .%Y_KGBKj>?(* ,*, ,(*((! #+,%!'.'*"".''-!#.#,!+##+, #-"%""-,'#.+'%.&#*"'*OGrPQNd2kdoa*!$!,",*-"#,.**%#-."-+..-#*#,$#$#."!&"& ) #"!')& '!!$JKJCe<5.>3714#''!"%! & '#!%&' &&"!#"/5-60017 !&& ' $$ !'$"$'  ,#''#(%bJ| "(44*31:6$  &#%# ,$" ! "!&/,&,& &  < 40156",","$"%/+!#"!" !!'%)'$)&&"T\IOH[3; $,*&##!"+/'#'#+,,,& ,/!#'+,#%/-? ##'&""$'#'.$*)!'$**' ,//'+--@FVQEN^:59\738	Q1p*Um[./#&$/$  +)")/#-. +/"..$ *,+&/-/'--" 8,'/.'"$)&( *UEQkLKB0Fnnhk{$(,-&)(",")&*.-$-(,)'/$!.(*.//,!%)/,-+.# (5/&/#/*"."+)%,"-.#WDVOMHC8&492:1:((%+)-/ (837=56+##-.!#2#4!57<65')).+*)* :$0:50
;'*#/../.I@gX^'&39+35254	!&$# $ % ""$  97/165	8 !&  !'("'/$!   %'"%$O]DQ&! 3) %$"!%)")''&!!##'*"! &"! "%*#$'+$$!#%(.$%-!"%"$"#"!$#'!##$!#/&&ALCOOB :07$20<436! !#" /"247/	615?7'"&#  &#693):54568")-!**+%72%74;9<:#+-".,"$%BBToIT!:1/7735;
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 

 
 	 		
 
 
  	        	  	>;?9<; =4 
 
<:< =84=	 949  8   < 8
 < 8
8 	43 	8 ;
   	   
	
 7	 
 
		0 
		&
	  		    
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? ::= 
8
 ?
  
	 6 
 
    	    
 	
   

5
  <	    	> 	

  1  
	0  	 
 
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 : : :> 
8<=9;> 8     =  
  	>
 
8   8 
 0

 
3 	

 4/

:

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	 
   5	 	 	
 	  
   	 .
  7   :    :
9  ;8; <<
<>    :   
8
<9	?    84
	:  6
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 	
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	   


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
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 
  8	 -
	 	 
	  		0  
  			  	8?
;      >
;8> >;?= 8 6? 4;


  8? 

	 
  
8    		  :	    
 
	
  6  
	
	6>6 
	 		


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 	
 < 	
8    3
	
	 
6 	=> >< > < 8>>   :8 = <  >
16

:	  <9=  >4 
 	  
=



	

	  	
	 
  		 
 	 		
  

  	   0
	 
 	
	
/	    	 	 


   <=>>   8;8  ;88?
   ;   4 9 6 >
  
>6   

 	 :
8

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 9 
4  2  
 

		  		      7

 
  
 	 	  			3
;   ::<<4  8 >4 > 8=   
   :
 9 8
   <	   8 8  		
	

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	 

 

   	
  6	    


	

 
   	    
 ;889< 

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  

  ?   ;   : 	

 
 9  :   
 
  8      
3 	46 	 			
5  
   	
 
1
	
	    	  
   :      6  ?	
  89  
 <<=7      8   
  
   	   	     
   

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	
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	
	
 		

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
 74	 
 	
		 
4  	  4?	  >6:9 >:  1	

  6 =8 ;8 =?99  > 
>8
?    
	


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
 
   
2  42
 2
			  4  
 	 0 5		6	 
  	 	 	
      	   	7    ;?	     ?:; ?9> 

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
   :     :

	
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	9? :   
  

 
	  : 

 

 
 


	0  	  
    	
  		  
	
  88:58>    	;<<?4    6<< ?< 8=  5  8844: <>
=
      >		     	
 
  
5 	  

  
   4   	 
	 ,     	 
	-	7 	3   
	    : > =8>< >  = ; <  >; =:>  ; > >? 8
8< :  8  
	5	
   :	 :  
    	;:<
 
;

8
 	  9	  
 
	    
 
 	 
		4
9	
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 
	   ><  	  >
	>6    9  8
 
 		      	:::7:    			
 
  
 

 	
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	 

  

4  
	  	  . 
	
	 	=   ?    
  	  : 

><: ;  
8
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 8=:<   
; 


 4	
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    6
 	6  = 
 	 
	
 	 	


	  	 
  		  
 		 	 				 

    ;:

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
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< ?	;:
8
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 
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 <:<  	:8

 ;   
 	 
  
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d
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

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1 
  
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   4	

   8=  0
	
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 

  
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	
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
	  
 9  ?6=;>   : <? 8
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>   ;88
=    
  
    
 :  	
	;
8	 sJ
 		3
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
		
  	 
   


24 
    
   		6 8  <6 : : 8:8    >8	 
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0    6  
	
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8
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6		 q|
  	
 2 	
 
7	
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	gSx04 8
 	
    	  

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 
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  		3
         
?      	:	   	7>6 ; 	<    94 	   
		

 
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 6

 6	  
	.
uw	
 
		
0 
	 	
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

	




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	   <
	     		:	 ;7	
hIO2 14	  
 .
9=
	 	 		
	; 
 

>88  8; 
8  ; 6=   >6    >: = 6  
;:  8>    4  
8
 
 56  6	 /		
	 
  

5	
 			     
    	
  
	
7		       	5
 
  
  0 8  : 
 6:4 8  2 ?:  
2 ;88< 8	 7
6: 
	>8 
5 	  ? > 9
4

 
:<  7 	 8
		  	44;  	3		
		   4  

			 
 

  
	
 =7	
9 	   :	  	>>:  > : 
9>   8==;<
	 >>8   ?  < : 	9	 9< 8 9: 847	  
  
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;8 
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
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 	 
 1  


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	/   		 	 
6
  88:  ?<:: > : :   ?;9  9 =8<
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
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		
<  5			<:   2
	 
7 			
6
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 
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
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
	A7r BcB
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#  5.
	b6#QI2+    
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^7(-%o16x8*zq#/oRɏwn6r3kݢ=
ޫc;Ty9lgw؋}6}XGTt㣬1Em*O0$~RdT|age|
Tp+8`ԃ8$
1b(Wa2 b3c=<m+! 3Dm{Jq۴2[iEVǍ$M#>`咑-i+z6r|ZXg[:Giz{N^:_ae4?*7ܘiX9=7|3+Iʧl(d.K!(\łWc4|_z!n3[8a|YWQG etU7kiбY<;,.W֭ehoؠ{`wtpbY$y4|k;`NvRz&q'*Cv$Dj{淦lZ.]V&O8)h)>nwdK5Ojx
4K<* ժWw~??1_dUw?̘Nſ4PTdʧʭEEs9+KR]i
Vl$Գ2&,F4#X	#"NVj槷杢lu7UlLըIikn$ME|N##Ai8חt!|V<^8hq7㦑	,c&8"ӥHX46X[7je8/yU="*3]<tYU.l^ߵ/jJuZWH1*m
M9F{qmA8sllynDSY" 7)Ȕa;E+`jִIKcd)7*՛I\B%=52TsJg:>b[:Q$	p=@g<ق-`y4J{ڰkFc
3f[6#ROJVz&"^z"ƹ,7)#M>#=fic3߫ƩvTsP}$gV#p!2.PRxm}}}ܤ<3YJDT?Odou+k8~A#2&Q*zl}A؅zK} x]p^QЕ6-l7SџoG0O4dkǰ<(GZ̡畴o^t\m! !!fᝂLAlWKh	Z#]X>Nќ_,N˻Q&:X+amF@Ġ hU6HL.o*\,ǊPZvi=rbk	K8+CXDBi?2jC}a^Dp+>T	4kIH&YKX\KDC#Q%|xTZ;#ExK`2Nzb$[X܌џH0x.H[$!=y+D3<%\<k˙.r܎bg!t
DuiFr/-C	;//A'j-0\lnME|b	KBa'fK;EF?DPu_\%zFF%%,wTJbyEWǫlLQObqPmĎAaq{0{F+b}=j
zD[;]^9uAJ"+BMR@y:aU/;ܩ{&O>6P8'5*ۧ;M%I ԚbyY@kN) }83HkwhRO:]L/zyEզ4@+Dˣ4*!Vd?h7&27{TbCadwP	7WZn2DQEY#3}J,oxa]vy;<L%RSv̄OC9 |x9O7{&U	#uA>PK?r	  #  PK    +:KΙ  S                   META-INF/MANIFEST.MFPK    +:X&z.                 N  META-INF/SELFSIGN.SFPK    +:ܧf$                   META-INF/SELFSIGN.RSAPK
 
     +:            	              META-INF/  PK
 
     +:                           org/PK
 
     +:            	               org/jmol/PK
 
     +:                         7  org/jmol/adapter/PK
 
     +:                         f  org/jmol/adapter/readers/PK
 
     +:                           org/jmol/adapter/readers/more/PK    +:    -               org/jmol/adapter/readers/more/AdfReader.classPK    +:  (  -               org/jmol/adapter/readers/more/CsfReader.classPK    +:4܂  
  .             8(  org/jmol/adapter/readers/more/CubeReader.classPK    +:j  9
  4             .  org/jmol/adapter/readers/more/FoldingXyzReader.classPK    +:v    0              4  org/jmol/adapter/readers/more/GamessReader.classPK    +:Lb8    2             6@  org/jmol/adapter/readers/more/GamessUKReader.classPK    +:8s    2             G  org/jmol/adapter/readers/more/GamessUSReader.classPK    +:&m  h!  2             6N  org/jmol/adapter/readers/more/GaussianReader.classPK    +:sD  
  4             _  org/jmol/adapter/readers/more/GhemicalMMReader.classPK    +:I   	  -             He  org/jmol/adapter/readers/more/HinReader.classPK    +:    0             j  org/jmol/adapter/readers/more/JaguarReader.classPK    +:Ya  N  -             w  org/jmol/adapter/readers/more/JmeReader.classPK    +:N4B
  =  .             {  org/jmol/adapter/readers/more/Mol2Reader.classPK    +:w$    0               org/jmol/adapter/readers/more/MoldenReader.classPK    +:"  e  -             ב  org/jmol/adapter/readers/more/MopacData.classPK    +:j8͋  |  3             T  org/jmol/adapter/readers/more/MopacDataReader.classPK    +:΃  b  5             @  org/jmol/adapter/readers/more/MopacGraphfReader.classPK    +:DX  m  /             p  org/jmol/adapter/readers/more/MopacReader.classPK    +:}<  h  0             %  org/jmol/adapter/readers/more/NWChemReader.classPK    +:3    1             d  org/jmol/adapter/readers/more/OdysseyReader.classPK    +:Z&4    4             j  org/jmol/adapter/readers/more/OdysseyXMLReader.classPK    +:Sq  D  -               org/jmol/adapter/readers/more/PqrReader.classPK    +:h4    -               org/jmol/adapter/readers/more/PsiReader.classPK    +:Y{  -
  /               org/jmol/adapter/readers/more/QchemReader.classPK    +:̒    /             l  org/jmol/adapter/readers/more/ShelxReader.classPK    +:jd~[  T  2               org/jmol/adapter/readers/more/SpartanArchive.classPK    +:Z  u  1               org/jmol/adapter/readers/more/SpartanReader.classPK    +:W_b    5                org/jmol/adapter/readers/more/SpartanSmolReader.classPK    +:5    /               org/jmol/adapter/readers/more/V3000Reader.classPK    +:?r	  #  /             8 org/jmol/adapter/readers/more/WebMOReader.classPK    ' ' F                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           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