#!/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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A\baaQ70b nxq('O2T9&qӦ Qq3wIk']V0-b>ƪ2ȸMq"&?/رSB _dlc0,KοR vuwqfjr~+=78^c7e|2-;2]G>e/|u8?f?k|¿HvYE^9$ڭ~C=D+2p ef1IՅ\7ݩb-y Bf0H2|i;<mk!bU,̂=[$+iE>]/dٯOui}@l0׼J朔076lsz`0ۜ7n#_h^Uۂ9k(i~VT0bҎL5JHe%]N7ԘysV7{WٻmJY|WֳC2/PI'm[f[T6P}8Ua|N2G Vp+t1H[Az! :CV~VϠb,ev}
,1)Hi-fSryxY*6T`c69׳s
~_RN.bOW+Z07bS /*x	
?*e^+x5(+sƜ5^?o(،rq6)PRdAl431A|:FpEn
ƅ1r4N0 A$EEryJJRh!DSAao=u/wU}zX5)S~]b[>ܣj.opm,&vݵzhT-:4)tu	FSɔq%=$sZruΡϯr\cXn"u8"cH㕒8\X3&U9M(|ںte|q?E]j'^PTO'NsVE5&yqE\=B"E+xx\C:?83}+XnPK(n(TAʯNd<k3:RYý6(-zuI:DzϧIsfd	Il/)*ګS6?Ξ|J'rpC*psYZ;Iڗ.L4ɕ2eU<LC`zkvp-2ܜ0_Gs_!0?JOC5,z7}ƛCK#(#1$Pn?#g@FϱNn/ylS6cT#Up8Z71AE|*aZjNw
FqB8&'NOѐhT8F[LqKhpvɪx|?T5#UL.v?F=\GT4M>fCwc:M*n6W I$W$LrLЈsq7Fc(fSqiJ0RFͣdڷSFp(GQ=F=Leɲ.ZOf.#ިQJ;PI:m<BM#|J5cȜyHaJj3x>1]_.tKtym`-%~X"<I	L')g}K#Ko&tY6DFmFj'z1?<*"/`(ΡFZQnuiӋ\Zdͥ%/vii_5cgnz}^⊩QXݛG$gaHN㲳&v8;ҧ.DkJm	pf,>͒nC`Zʙ4k;]Ω9e㯺gN
K
17_LJm1"XfEp߅bwKg.$EIHCD Q{km0REH>qwݒ0K"sqVRCN=Ρ!MBYnBjsrfQg!axAUd=XF`e8|#LҤD!q+vmU'5I&09C	'dBdZ`"qShLtŕN(ʄV͏hZlPSidvsz$6`ԳFF$|Sj^3pUZ$&"N7{ТNIA:Ѥ^mpS7xRKp)GVŝ(ІAnUPe}*.k4oVEꌦepJ-cKřt"wr*r4ݒx3(υPK
    +:0G  "  ,   org/jmol/jvxl/readers/IsoSolventReader.classX	|qXl!c	dBb֋d,!|qj]+aIGHlNCd.#K1Ic4mڤih&KudY2yfޛ7o?x7/|Gˎ1w̝`s'0(SifW;ò1̿י;ˊ{Ͼ, /6Mܰ
wf|MLL?wx3&??s\1c&?O/ŝ7س_2fk>oLyhw
n7\~a_~β0_.o?._GL>fB{= z67X@Fg hmсN&
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Q[%tY)ѝl#ʩ&s>zA!(Y	pS4ڹyU-%%) +nz@;!M`E~Uz%]$d5%ڰ6ͬEd[RwD;ۋl="6)&̽Cly#E\q3汋яX*Jdl.mh@1s+dPu]XsRN!ŬǸ	%i@38RK3/ .jr]Y;AtRff;Dn4ږT/	E'@')i̼ʚn.izKyt-w*F)2ꪌyMcAL^Ih)Dl4S0hRD-zW3WZpP}i`@NcM-nXSbֈjBIxc+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
     +:            	         A    META-INF/  PK
    +:Ltj   x              +   META-INF/MANIFEST.MFPK
     +:                      A   org/PK
     +:            	          A   org/jmol/PK
     +:                      A  org/jmol/adapter/PK
     +:                      A?  org/jmol/adapter/readers/PK
     +:                      Av  org/jmol/adapter/readers/more/PK
    +:    -             org/jmol/adapter/readers/more/AdfReader.classPK
    +:  (  -             org/jmol/adapter/readers/more/CsfReader.classPK
    +:4܂  
  .             org/jmol/adapter/readers/more/CubeReader.classPK
    +:j  9
  4           "  org/jmol/adapter/readers/more/FoldingXyzReader.classPK
    +:v    0           (  org/jmol/adapter/readers/more/GamessReader.classPK
    +:Lb8    2           4  org/jmol/adapter/readers/more/GamessUKReader.classPK
    +:8s    2           G<  org/jmol/adapter/readers/more/GamessUSReader.classPK
    +:&m  h!  2           B  org/jmol/adapter/readers/more/GaussianReader.classPK
    +:sD  
  4           S  org/jmol/adapter/readers/more/GhemicalMMReader.classPK
    +:I   	  -           Y  org/jmol/adapter/readers/more/HinReader.classPK
    +:    0           ^  org/jmol/adapter/readers/more/JaguarReader.classPK
    +:Ya  N  -           ,k  org/jmol/adapter/readers/more/JmeReader.classPK
    +:N4B
  =  .           o  org/jmol/adapter/readers/more/Mol2Reader.classPK
    +:w$    0           y  org/jmol/adapter/readers/more/MoldenReader.classPK
    +:"  e  -           Ѕ  org/jmol/adapter/readers/more/MopacData.classPK
    +:j8͋  |  3           =  org/jmol/adapter/readers/more/MopacDataReader.classPK
    +:΃  b  5             org/jmol/adapter/readers/more/MopacGraphfReader.classPK
    +:DX  m  /           9  org/jmol/adapter/readers/more/MopacReader.classPK
    +:}<  h  0           ޞ  org/jmol/adapter/readers/more/NWChemReader.classPK
    +:3    1             org/jmol/adapter/readers/more/OdysseyReader.classPK
    +:Z&4    4             org/jmol/adapter/readers/more/OdysseyXMLReader.classPK
    +:Sq  D  -           O  org/jmol/adapter/readers/more/PqrReader.classPK
    +:h4    -             org/jmol/adapter/readers/more/PsiReader.classPK
    +:Y{  -
  /             org/jmol/adapter/readers/more/QchemReader.classPK
    +:̒    /             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	  #  /           A  org/jmol/adapter/readers/more/WebMOReader.classPK    % %                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  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on;show spacegroup
showState | Current state = console on;show state
loadPdb | File from PDB = load ?PdbId?
loadFileOrURL | File or URL = load ?
loadFileUnitCell | Load full unit cell = load ? {1 1 1}
loadScript | Script = script ?.spt
writeFileTextVARIABLE | File {0} = write file "?FILE?"
writeState | Script with state = write state "?FILEROOT?.spt"
writeHistory | Script with history = write history "?FILEROOT?.his"
writeIsosurface | JVXL Isosurface = write isosurface "?FILEROOT?.jvxl"
writeJpg | JPG Image = write image "?FILEROOT?.jpg"
writePng | PNG Image = write image "?FILEROOT?.png"
writePovray | POV-Ray Image = write POVRAY ?FILEROOT?.pov
writeVrml | VRML 3D Model = write VRML ?FILEROOT?.vrml
writeMaya | Maya 3D Model = write MAYA ?FILEROOT?.maya
SYMMETRYshowSymmetry | Symmetry = console on;show symmetry
UNITCELLshow | Unit cell = console on;show unitcell
extractMOL | Extract MOL data = console on;getproperty extractModel "visible" 
surfDots | Dot Surface = dots on
surfVDW | van der Waals Surface = isosurface delete resolution 0 solvent 0 translucent
surfMolecular | Molecular Surface = isosurface delete resolution 0 molecular translucent
surfSolvent14 | Solvent Surface (1.4-Angstrom probe) = isosurface delete resolution 0 solvent 1.4 translucent
surfSolventAccessible14 | Solvent-Accessible Surface (VDW + 1.4 Angstrom) = isosurface delete resolution 0 sasurface 1.4 translucent
CHARGEsurfMEP | Molecular Electrostatic Potential = isosurface delete resolution 0 molecular map MEP translucent
surfOpaque | Make Opaque = mo opaque;isosurface opaque
surfTranslucent | Make Translucent = mo translucent;isosurface translucent
surfOff | Off = mo delete;isosurface delete;select *;dots off
UNITCELLone | Reload {1 1 1} = save orientation;load "" {1 1 1} ;restore orientation;center
UNITCELLnine | Reload {444 666 1} = save orientation;load "" {444 666 1} ;restore orientation;center
UNITCELLnineRestricted | Reload {444 666 1};display 555 = save orientation;load "" {444 666 1} ;restore orientation; unitcell on; display cell=555;center visible;zoom 200
UNITCELLninePoly | Reload + Polyhedra = save orientation;load "" {444 666 1} ;restore orientation; unitcell on; display cell=555; polyhedra 4,6 (displayed);center (visible);zoom 200
1p | 1 px = on
3p | 3 px = 3
5p | 5 px = 5
10p | 10 px = 10
10a | 0.10 Å = 0.1
20a | 0.20 Å = 0.20
25a | 0.25 Å = 0.25
50a | 0.50 Å = 0.50
100a | 1.0 Å = 1.0
APPLETjmolUrl | http://www.jmol.org = show url "http://www.jmol.org"
APPLETmouseManualUrl | Mouse Manual = show url "http://wiki.jmol.org/index.php/Mouse_Manual"
APPLETtranslationUrl | Translations = show url "http://wiki.jmol.org/index.php/Internationalisation"


# Part III -- Word Translations
# -----------------------------

modelSetMenu | No atoms loaded
configurationComputedMenu | Configurations
elementsComputedMenu | Element
FRAMESbyModelComputedMenu | Model/Frame
languageComputedMenu | Language
PDBaaResiduesComputedMenu | By Residue Name
PDBnucleicResiduesComputedMenu | By Residue Name
PDBcarboResiduesComputedMenu | By Residue Name
PDBheteroComputedMenu | By HETATM
surfMoComputedMenu | Molecular Orbitals
SYMMETRYComputedMenu | Symmetry
hiddenModelSetText | Model information
allModelsText | All {0} models
configurationMenuText | Configurations ({0})
modelSetCollectionText | Collection of {0} models
atomsText | atoms: {0}
bondsText | bonds: {0}
groupsText | groups: {0}
chainsText | chains: {0}
polymersText | polymers: {0}
modelMenuText | model {0}
viewMenuText | View {0}
mainMenuText | Main Menu
biomoleculesMenuText | Biomolecules
biomoleculeText | biomolecule {0} ({1} atoms)
loadBiomoleculeText | load biomolecule {0} ({1} atoms)
cpk | Element (CPK)
altloc#PDB | Alternative Location
molecule | Molecule
formalcharge | Formal Charge
partialcharge#CHARGE | Partial Charge
relativeTemperature#BFACTORS | Temperature (Relative)
fixedTemperature#BFACTORS | Temperature (Fixed)
amino#PDB | Amino Acid
structure#PDB | Secondary Structure
chain#PDB | Chain
group#PDB | Group
monomer#PDB | Monomer
shapely#PDB | Shapely
none | Inherit
black | Black
white | White
cyan | Cyan
red | Red
orange | Orange
yellow | Yellow
green | Green
blue | Blue
indigo | Indigo
violet | Violet
salmon | Salmon
olive | Olive
maroon | Maroon
gray | Gray
slateblue | Slate Blue
gold | Gold
orchid | Orchid
opaque | Make Opaque
translucent | Make Translucent
off#axes | Hide
dotted | Dotted

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        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 *fyvPo 欘?kWRʞ)Hwu@b˼_}VI+&*e~-=[VșOc&#[H;ߚo쎠EXQi 蜽kkwZs/rz8/]9Y//9MQ~Oܡ{wIK*9wZ0gS` 󪥟S
WwJ 2@LwDō*Rnp0$\lM)'EHj&<RǄoZP "<V(1ա0*#}MMQ(Jy,l4؆B*sٳwu
k{rO%P}GSbo."W>$~b+<KӜ/5CĪKQ}#̈kl2$y[*TxA7cvmqy=l|6췀gJhL.g=+@paESËgRiu}H>խ`"tW9оfpt|zs.~|w]~Wû{Axi#կeRWc:
S/_E;qi s /4:`NZE\N^Tc%_ULngA,ZER \p	9
hNxB`[K&	A  +L}m*n' rE	<go==c~
	\N\}Llnv R,zi ONJ	;mw Y6` +(^K4u n]9=aZ]E\NFTVOd"]t/FLWv^XwS?&#'|^_0{nUN"%: # *qSWMg&GR7jC+NLL[AA2<g!jcos/Krp:	_YAIKIX	*qTfhE~<K=EA!TVY_[Bw]HMKvAbrgML{^#2p&qRa!x?&$/7orp^T@EBoX]fIx:$ 	X soZi
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EUTPoNGZMRON$E-EQTx'\Fd*h o^XPCXNo]DCPQZUqA^Q\SA_LPN!IyO SO\Qpo *he h 	<fILQZ^VjS$
ZUqQULIZES CALC pr a  *hf h  :.5731 0.6786 0.185 Uiso 0.508(3) 1 calc PR A 2 
C26 C 0.518(2) 0.422(3) 0.6728(19) 0.119(6) Uani 0.508(3) 1 d PD A 2 
H26D H 0.4212 0.3182 0.5768 0.178 Uiso 0.508(3) 1 calc PR A 2 
H26E H 0.5821 0.4343 0.7311 0.178 Uiso 0.508(3) 1 calc PR A 2 
H26F H 0.5570 0.4674 0.6623 0.178 Uiso 0.508(3) 1 calc PR A 2 
C27 C 0.6990(11) 0.6979(11) 0.9494(10) 0.104(3) Uani 0.508(3) 1 d PD A 2 
H27D H 0.7016 0.7507 1.0034 0.155 Uiso 0.508(3) 1 calc PR A 2 
H27E H 0.7442 0.7448 0.9432 0.155 Uiso 0.508(3) 1 calc PR A 2 
H27F H 0.7521 0.6983 0.9996 0.155 Uiso 0.508(3) 1 calc PR A 2 
Fe1 Fe 0.32091(8) 0.32087(8) 0.75781(8) 0.04302(16) Uani 1 1 d D A . 
B1 B 0.1729(6) 0.1735(6) 0.7712(6) 0.0437(12) Uani 1 1 d . . . 
C1 C 0.2245(4) 0.0492(4) 0.6050(4) 0.0427(11) Uani 1 1 d . A . 
N1 N 0.4027(5) 0.4022(5) 0.7437(6) 0.0775(15) Uani 1 1 d D . . 
N2 N 0.2400(4) 0.1410(4) 0.6760(4) 0.0379(9) Uani 1 1 d . . . 
C2 C 0.1485(5) -0.0575(5) 0.5756(5) 0.0527(13) Uani 1 1 d . . . 
H2A H 0.1239 -0.1344 0.5279 0.063 Uiso 1 1 calc R A . 
N3 N 0.1412(4) 0.2403(4) 0.6760(4) 0.0389(9) Uani 1 1 d . . . 
C3 C 0.1157(5) -0.0300(5) 0.6293(5) 0.0463(11) Uani 1 1 d . A . 
C24 C 0.2226(6) 0.4459(6) 0.7055(6) 0.0654(15) Uani 1 1 d . A . 
H24A H 0.2412 0.4986 0.7788 0.098 Uiso 1 1 calc R . . 
H24B H 0.2341 0.4852 0.6821 0.098 Uiso 1 1 calc R . . 
H24C H 0.2916 0.4569 0.7434 0.098 Uiso 1 1 calc R . . 
N4 N 0.4223(4) 0.4222(4) 0.9511(4) 0.0406(9) Uani 1 1 d . . . 
C4 C 0.0371(6) -0.1088(5) 0.6293(6) 0.0678(15) Uani 1 1 d . . . 
H4A H -0.0416 -0.1335 0.5874 0.102 Uiso 1 1 calc R A . 
H4B H 0.1049 -0.0465 0.7290 0.102 Uiso 1 1 calc R . . 
H4C H -0.0032 -0.1977 0.5715 0.102 Uiso 1 1 calc R . . 
C22 C 0.6398(6) 0.7217(6) 1.1177(7) 0.106(2) Uani 1 1 d . A . 
H22A H 0.5530 0.6384 1.0117 0.159 Uiso 1 1 calc R . . 
H22B H 0.7207 0.8012 1.1572 0.159 Uiso 1 1 calc R . . 
H22C H 0.6210 0.7534 1.1556 0.159 Uiso 1 1 calc R . . 
N5 N 0.1720(4) 0.0907(4) 0.6908(4) 0.0395(8) Uani 1 1 d . A . 
C5 C 0.5409(7) 0.5407(7) 1.1635(6) 0.0726(19) Uani 1 1 d . . . 
H5A H 0.6156 0.6149 1.2648 0.087 Uiso 1 1 calc R A . 
C23 C 0.8097(6) 0.8094(7) 1.3287(7) 0.131(3) Uani 1 1 d . A . 
H23A H 0.8429 0.7879 1.3606 0.197 Uiso 1 1 calc R . . 
H23B H 0.7815 0.8288 1.3599 0.197 Uiso 1 1 calc R . . 
H23C H 0.8882 0.8947 1.3715 0.197 Uiso 1 1 calc R . . 
N6 N 0.0906(4) 0.1723(4) 0.6906(4) 0.0379(8) Uani 1 1 d . A . 
C6 C 0.4036(7) 0.4038(7) 1.0560(6) 0.0580(14) Uani 1 1 d . A . 
N7 N 0.3306(4) 0.3304(4) 0.9260(4) 0.0421(9) Uani 1 1 d . A . 
C7 C -0.1087(6) 0.0378(6) 0.6298(6) 0.0702(16) Uani 1 1 d . A . 
H7A H -0.1361 -0.0427 0.5857 0.105 Uiso 1 1 calc R . . 
H7B H -0.1961 0.0001 0.5743 0.105 Uiso 1 1 calc R . . 
H7C H -0.0453 0.1053 0.7299 0.105 Uiso 1 1 calc R . . 
C8 C -0.0299(5) 0.1156(5) 0.6292(5) 0.0464(11) Uani 1 1 d . . . 
C9 C -0.0577(5) 0.1477(5) 0.5753(5) 0.0518(13) Uani 1 1 d . A . 
H9A H -0.1354 0.1221 0.5267 0.062 Uiso 1 1 calc R . . 
C10 C 0.0491(4) 0.2246(4) 0.6054(4) 0.0426(11) Uani 1 1 d . A . 
C11 C 0.0709(5) 0.2882(5) 0.5712(5) 0.0545(13) Uani 1 1 d . . . 
C12 C 0.2871(5) 0.0702(5) 0.5708(5) 0.0524(12) Uani 1 1 d . . . 
C13 C 0.2006(7) 0.0366(8) 0.4539(7) 0.099(2) Uani 1 1 d . A . 
H13A H 0.2077 0.1026 0.4892 0.149 Uiso 1 1 calc R . . 
H13B H 0.0988 -0.0637 0.3669 0.149 Uiso 1 1 calc R . . 
H13C H 0.2395 0.0493 0.4302 0.149 Uiso 1 1 calc R . . 
C14 C 0.2743(7) -0.0350(7) 0.5165(7) 0.093(2) Uani 1 1 d . A . 
H14A H 0.3302 -0.0121 0.5929 0.140 Uiso 1 1 calc R . . 
H14B H 0.3123 -0.0250 0.4917 0.140 Uiso 1 1 calc R . . 
H14C H 0.1723 -0.1348 0.4304 0.140 Uiso 1 1 calc R . . 
C15 C 0.0364(8) 0.1994(7) 0.4533(7) 0.095(2) Uani 1 1 d . A . 
H15A H 0.1062 0.2115 0.4912 0.143 Uiso 1 1 calc R . . 
H15B H 0.0427 0.2332 0.4242 0.143 Uiso 1 1 calc R . . 
H15C H -0.0618 0.0968 0.3692 0.143 Uiso 1 1 calc R . . 
C16 C -0.0348(7) 0.2743(7) 0.5157(7) 0.095(2) Uani 1 1 d . A . 
H16A H -0.0117 0.3311 0.5920 0.142 Uiso 1 1 calc R . . 
H16B H -0.1343 0.1722 0.4305 0.142 Uiso 1 1 calc R . . 
H16C H -0.0258 0.3106 0.4893 0.142 Uiso 1 1 calc R . . 
C17 C 0.7224(6) 0.6410(6) 1.1185(7) 0.103(2) Uani 1 1 d . A . 
H17A H 0.6399 0.5553 1.0126 0.154 Uiso 1 1 calc R . . 
H17B H 0.7527 0.6208 1.1552 0.154 Uiso 1 1 calc R . . 
H17C H 0.8030 0.7229 1.1598 0.154 Uiso 1 1 calc R . . 
C18 C 0.3344(7) 0.3343(7) 1.0677(7) 0.091(2) Uani 1 1 d . . . 
H18A H 0.4035 0.4065 1.1700 0.137 Uiso 1 1 calc R A . 
H18B H 0.3072 0.2540 1.0249 0.137 Uiso 1 1 calc R . . 
H18C H 0.2477 0.2975 1.0159 0.137 Uiso 1 1 calc R . . 
C19 C 0.5516(5) 0.5519(5) 1.0960(5) 0.0569(14) Uani 1 1 d . A . 
C20 C 0.4462(6) 0.2223(6) 0.7055(6) 0.0685(16) Uani 1 1 d . A . 
H20A H 0.4587 0.2923 0.7467 0.103 Uiso 1 1 calc R . . 
H20B H 0.4837 0.2344 0.6804 0.103 Uiso 1 1 calc R . . 
H20C H 0.4995 0.2390 0.7768 0.103 Uiso 1 1 calc R . . 
C21 C 0.6782(6) 0.6784(6) 1.1620(6) 0.0832(19) Uani 1 1 d . . . 
H1 H 0.118(4) 0.118(4) 0.779(4) 0.017(8) Uiso 1 1 d . . . 
  
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Si' 0.097(3) 0.098(3) 0.106(3) 0.093(3) 0.092(3) 0.087(3) 
C25' 0.18(2) 0.186(16) 0.216(19) 0.191(16) 0.185(17) 0.168(17) 
C26' 0.166(16) 0.16(2) 0.188(19) 0.157(17) 0.167(16) 0.147(17) 
C27' 0.107(8) 0.108(8) 0.108(8) 0.093(8) 0.093(8) 0.084(7) 
Si 0.097(3) 0.098(3) 0.106(3) 0.093(3) 0.092(3) 0.087(3) 
C25 0.18(2) 0.186(16) 0.216(19) 0.191(16) 0.185(17) 0.168(17) 
C26 0.166(16) 0.16(2) 0.188(19) 0.157(17) 0.167(16) 0.147(17) 
C27 0.107(8) 0.108(8) 0.108(8) 0.093(8) 0.093(8) 0.084(7) 
Fe1 0.0535(4) 0.0534(4) 0.0598(4) 0.0502(3) 0.0501(3) 0.0476(3) 
B1 0.060(4) 0.059(3) 0.065(4) 0.055(3) 0.057(3) 0.054(3) 
C1 0.039(3) 0.037(3) 0.035(2) 0.026(2) 0.030(2) 0.031(2) 
N1 0.117(4) 0.116(4) 0.143(4) 0.122(4) 0.122(4) 0.107(4) 
N2 0.046(2) 0.045(2) 0.043(2) 0.037(2) 0.039(2) 0.039(2) 
C2 0.049(3) 0.038(3) 0.054(3) 0.035(3) 0.041(3) 0.036(3) 
N3 0.044(2) 0.048(2) 0.044(2) 0.040(2) 0.037(2) 0.040(2) 
C3 0.047(3) 0.045(3) 0.057(3) 0.043(3) 0.043(3) 0.040(3) 
C24 0.078(4) 0.085(4) 0.087(4) 0.080(4) 0.070(4) 0.071(4) 
N4 0.039(2) 0.037(2) 0.037(2) 0.028(2) 0.029(2) 0.034(2) 
C4 0.076(4) 0.059(3) 0.102(4) 0.070(4) 0.076(4) 0.058(3) 
C22 0.072(4) 0.067(4) 0.121(6) 0.071(5) 0.068(5) 0.059(4) 
N5 0.049(2) 0.044(2) 0.053(2) 0.042(2) 0.045(2) 0.040(2) 
C5 0.083(4) 0.084(5) 0.039(3) 0.045(4) 0.044(4) 0.077(4) 
C23 0.055(4) 0.056(4) 0.070(5) 0.027(4) 0.026(4) 0.036(4) 
N6 0.043(2) 0.046(2) 0.053(2) 0.044(2) 0.043(2) 0.039(2) 
C6 0.088(4) 0.092(4) 0.055(3) 0.063(4) 0.063(3) 0.085(4) 
N7 0.058(2) 0.061(3) 0.052(2) 0.050(2) 0.048(2) 0.054(2) 
C7 0.068(4) 0.074(4) 0.109(5) 0.078(4) 0.078(4) 0.062(3) 
C8 0.047(3) 0.052(3) 0.059(3) 0.048(3) 0.046(3) 0.043(3) 
C9 0.042(3) 0.050(3) 0.051(3) 0.040(3) 0.036(3) 0.039(3) 
C10 0.038(3) 0.041(3) 0.038(3) 0.032(2) 0.028(2) 0.033(2) 
C11 0.054(3) 0.063(3) 0.058(3) 0.052(3) 0.044(3) 0.050(3) 
C12 0.061(3) 0.055(3) 0.049(3) 0.041(3) 0.048(3) 0.049(3) 
C13 0.107(5) 0.140(6) 0.086(5) 0.095(5) 0.086(5) 0.103(5) 
C14 0.118(5) 0.093(5) 0.114(5) 0.079(5) 0.107(5) 0.094(5) 
C15 0.139(6) 0.111(5) 0.086(5) 0.089(5) 0.097(5) 0.105(5) 
C16 0.095(5) 0.127(6) 0.125(6) 0.117(5) 0.086(5) 0.100(5) 
C17 0.062(4) 0.070(4) 0.115(5) 0.065(4) 0.065(4) 0.055(4) 
C18 0.173(7) 0.173(7) 0.132(6) 0.144(6) 0.144(6) 0.164(6) 
C19 0.051(3) 0.050(3) 0.053(3) 0.037(3) 0.038(3) 0.048(3) 
C20 0.084(4) 0.076(4) 0.091(4) 0.070(4) 0.081(4) 0.069(4) 
C21 0.040(3) 0.042(3) 0.052(4) 0.023(3) 0.022(3) 0.031(3) 
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Si' N1 1.756(6) . ? 
Si' C27' 1.840(10) . ? 
Si' C25' 1.852(12) . ? 
Si' C26' 1.864(12) . ? 
Si N1 1.705(6) . ? 
Si C25 1.851(13) . ? 
Si C27 1.856(11) . ? 
Si C26 1.861(12) . ? 
Fe1 N1 1.784(4) . ? 
Fe1 N3 2.092(4) . ? 
Fe1 N2 2.092(4) . ? 
Fe1 N4 2.097(4) . ? 
B1 N7 1.538(7) . ? 
B1 N6 1.536(6) . ? 
B1 N5 1.546(6) . ? 
C1 N2 1.358(5) . ? 
C1 C2 1.394(6) . ? 
C1 C12 1.518(6) . ? 
N2 N5 1.395(4) . ? 
C2 C3 1.388(6) . ? 
N3 C10 1.355(5) . ? 
N3 N6 1.396(4) . ? 
C3 N5 1.356(5) . ? 
C3 C4 1.502(6) . ? 
C24 C11 1.501(7) . ? 
N4 C19 1.351(6) . ? 
N4 N7 1.377(5) . ? 
C22 C21 1.527(7) . ? 
C5 C6 1.358(8) . ? 
C5 C19 1.414(7) . ? 
C23 C21 1.543(8) . ? 
N6 C8 1.354(5) . ? 
C6 N7 1.363(5) . ? 
C6 C18 1.511(7) . ? 
C7 C8 1.505(6) . ? 
C8 C9 1.379(6) . ? 
C9 C10 1.391(6) . ? 
C10 C11 1.532(6) . ? 
C11 C15 1.534(7) . ? 
C11 C16 1.538(7) . ? 
C12 C20 1.511(7) . ? 
C12 C13 1.521(7) . ? 
C12 C14 1.545(7) . ? 
C17 C21 1.525(7) . ? 
C19 C21 1.507(8) . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
N1 Si' C27' 123.7(5) . . ? 
N1 Si' C25' 107.4(13) . . ? 
C27' Si' C25' 106.2(7# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_kla0342_b_sq_d 
_shelx_title ' kla0342_b in R3' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      169.91 
_exptl_crystal_F_000       942.00 
_reflns_d_resolution_high  0.7652 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'z, x, y' 
 'y, z, x' 
 
_cell_length_a    18.2288 
_cell_length_b    18.2288 
_cell_length_c    18.2288 
_cell_angle_alpha 116.846 
_cell_angle_beta  116.846 
_cell_angle_gamma 116.846 
 
_shelx_F_squared_multiplier     1.000 
 
loop_ 
 _refln_index_h 
 _refln_index_k 
 _refln_index_l 
 _refln_F_squared_calc 
 _refln_F_squared_meas 
 _refln_F_squared_sigma 
 _refln_observed_status 
  -4  -4  -4       49.96       15.61     45.91 o 
  -4  -5  -3        9.52       39.58     30.35 o 
  -5  -4  -3        9.05       25.73     27.14 o 
  -4  -4  -3        8.27       33.69     27.73 o 
  -6  -3  -3        4.20       15.88     25.81 o 
  -5  -3  -3       48.63       85.02     34.36 o 
  -4  -3  -3        0.81        4.68     20.24 o 
  -3  -3  -3       89.62      143.03     77.45 o 
  -3  -7  -2       11.92       23.15     28.01 o 
  -4  -6  -2        1.31       10.09     28.09 o 
  -3  -6  -2        5.17       20.36     25.40 o 
  -5  -5  -2       15.53       17.72     24.15 o 
  -4  -5  -2       13.54       31.55     25.72 o 
  -3  -5  -2       40.21       45.19     27.62 o 
  -6  -4  -2        1.54       44.75     29.48 o 
  -5  -4  -2       12.45       12.63     24.04 o 
  -4  -4  -2       36.15       38.12     27.24 o 
  -3  -4  -2       14.62        7.61     25.40 o 
  -7  -3  -2       11.20        0.31     23.57 o 
  -6  -3  -2        4.65       33.18     29.75 o 
  -5  -3  -2       38.34       48.22     32.09 o 
  -4  -3  -2       13.42       41.04     27.98 o 
  -3  -3  -2      217.62      239.15     47.49 o 
  -8  -2  -2       20.91        3.44     25.98 o 
  -7  -2  -2       30.01       22.15     29.64 o 
  -6  -2  -2       81.15       96.94     53.18 o 
  -5  -2  -2      205.80      244.29     48.27 o 
  -4  -2  -2     1502.45     1537.98    125.12 o 
  -3  -2  -2      186.93      226.74     43.55 o 
  -2  -2  -2     1960.03     1889.01    170.51 o 
  -2  -9  -1       30.46       35.24     28.09 o 
  -3  -8  -1       12.72       24.42     27.25 o 
  -2  -8  -1       26.69       15.46     25.63 o 
  -4  -7  -1        0.75       24.93     24.62 o 
  -3  -7  -1       38.73       11.74     28.12 o 
  -2  -7  -1       11.21       14.25     24.90 o 
  -5  -6  -1        7.56       13.24     25.36 o 
  -4  -6  -1      104.90       82.53     31.42 o 
  -3  -6  -1       61.54       51.84     29.05 o 
  -2  -6  -1       22.30       49.66     32.85 o 
  -6  -5  -1        7.87       41.38     32.32 o 
  -5  -5  -1       35.38       73.27     34.57 o 
  -4  -5  -1        0.88        3.05     23.18 o 
  -3  -5  -1       67.53       50.69     30.94 o 
  -2  -5  -1       83.60       44.63     30.92 o 
  -7  -4  -1        0.68        4.96     24.33 o 
  -6  -4  -1      102.49      166.86     41.41 o 
  -5  -4  -1        0.78       12.99     22.23 o 
  -4  -4  -1       68.79       72.12     33.40 o 
  -3  -4  -1      314.08      314.51     53.07 o 
  -2  -4  -1       62.93       71.09     16.47 o 
  -8  -3  -1       14.68       41.76     32.93 o 
  -7  -3  -1       37.08       58.93     50.84 o 
  -6  -3  -1       57.75        9.36     23.85 o 
  -5  -3  -1       67.26       32.62     29.38 o 
  -4  -3  -1      323.60      304.89     53.50 o 
  -3  -3  -1     1155.29     1214.40     65.88 o 
  -2  -3  -1      198.94      227.95     29.95 o 
  -9  -2  -1       28.47       38.82     33.66 o 
  -8  -2  -1       26.06       59.64     30.07 o 
  -7  -2  -1       11.96       19.03     23.56 o 
  -6  -2  -1       21.53       23.27     28.60 o 
  -5  -2  -1       80.22      101.99     30.93 o 
  -4  -2  -1       59.38       90.18     22.21 o 
  -3  -2  -1      219.39      238.23     30.90 o 
  -2  -2  -1      420.01      415.78     36.49 o 
 -10  -1  -1       65.64       68.30     35.97 o 
  -9  -1  -1        2.70       16.21     25.49 o 
  -8  -1  -1      113.88      153.10     41.44 o 
  -7  -1  -1      259.93      199.88     46.78 o 
  -6  -1  -1      352.21      394.03     43.20 o 
  -5  -1  -1      181.87      138.62     21.92 o 
  -4  -1  -1      939.55      896.43     45.12 o 
  -3  -1  -1      541.50      527.39     46.56 o 
  -2  -1  -1     1303.22     1296.88     50.93 o 
  -1  -1  -1    18066.28    17457.93    828.49 o 
  -1 -11   0        5.41       46.73     30.42 o 
  -2 -10   0       20.49       42.76     28.08 o 
  -1 -10   0       39.73       57.20     40.86 o 
  -3  -9   0       15.52        0.00     26.56 o 
  -2  -9   0       61.45       69.22     33.38 o 
  -1  -9   0       25.24       65.49     38.40 o 
  -4  -8   0        2.93        4.68     26.71 o 
  -3  -8   0       25.04       27.48     33.20 o 
  -2  -8   0       36.45       41.84     28.01 o 
  -1  -8   0       27.42        0.31     23.97 o 
  -5  -7   0        1.91        0.31     23.13 o 
  -4  -7   0       45.64       45.84     32.35 o 
  -3  -7   0       61.36       27.77     28.24 o 
  -2  -7   0      264.59      294.90     53.20 o 
  -1  -7   0       10.85       12.89     15.19 o 
  -6  -6   0        2.72        5.76     24.76 o 
  -5  -6   0       30.77       41.71     28.67 o 
  -4  -6   0       41.80       45.44     29.85 o 
  -3  -6   0       17.29       53.79     30.83 o 
  -2  -6   0      361.63      383.06     61.99 o 
  -1  -6   0      120.69      113.21     21.82 o 
  -7  -5   0        1.88        4.53     25.19 o 
  -6  -5   0       31.54       55.82     32.28 o 
  -5  -5   0      267.90      329.20     72.51 o 
  -4  -5   0       88.26       57.87     30.50 o 
  -3  -5   0       25.34       14.61     18.55 o 
  -2  -5   0       98.59       61.43     21.74 o 
  -1  -5   0      254.72      289.49     28.81 o 
  -8  -4   0        3.02        5.64     26.84 o 
  -7  -4   0       40.10       53.90     31.92 o 
  -6  -4   0       40.84       23.36     30.44 o 
  -5  -4   0       91.03       90.66     32.73 o 
  -4  -4   0      973.45      936.01     70.41 o 
  -3  -4   0       47.81       59.17     21.16 o 
  -2  -4   0     1024.32     1012.23     60.24 o 
  -1  -4   0      689.70      668.74     39.19 o 
  -9  -3   0       16.03        2.65     26.26 o 
  -8  -3   0       21.24       14.75     27.89 o 
  -7  -3   0       56.39       78.25     35.33 o 
  -6  -3   0       16.64       65.06     32.46 o 
  -5  -3   0       28.48       45.49     20.38 o 
  -4  -3   0       48.44       49.34     20.06 o 
  -3  -3   0      435.98      398.81     40.22 o 
  -2  -3   0     1247.38     1320.28     65.84 o 
  -1  -3   0       58.74       66.47     14.70 o 
 -10  -2   0       17.45        8.23     27.79 o 
  -9  -2   0       59.65       56.73     32.72 o 
  -8  -2   0       38.51       57.74     42.24 o 
  -7  -2   0      259.65      341.29     61.98 o 
  -6  -2   0      355.52      309.36     40.76 o 
  -5  -2   0      103.12       67.82     23.83 o 
  -4  -2   0     1041.63     1091.81     50.23 o 
  -3  -2   0     1204.27     1244.88     62.56 o 
  -2  -2   0     2886.15     2759.68     91.69 o 
  -1  -2   0      122.12      142.27     18.94 o 
 -11  -1   0        4.78       14.00     30.71 o 
 -10  -1   0       37.51       32.73     28.82 o 
  -9  -1   0       27.97       18.76     27.10 o 
  -8  -1   0       25.38       13.86     23.94 o 
  -7  -1   0       15.36       39.05     19.21 o 
  -6  -1   0      126.19      110.83     22.70 o 
  -5  -1   0      262.40      300.75     28.96 o 
  -4  -1   0      672.47      648.22     38.35 o 
  -3  -1   0       61.70       56.24     13.96 o 
  -2  -1   0      108.96      122.65     17.90 o 
  -1  -1   0     2876.78     3168.59     88.92 o 
 -12   0   0       22.19       63.91     32.93 o 
 -11   0   0      144.60      191.02     43.73 o 
 -10   0   0       47.58       65.43     36.99 o 
  -9   0   0      141.84      187.75     48.56 o 
  -8   0   0      506.80      506.00     45.10 o 
  -7   0   0      202.52      226.15     29.97 o 
  -6   0   0      327.69      291.62     31.61 o 
  -5   0   0     1641.99     1580.80     59.96 o 
  -4   0   0       23.26       34.35     15.25 o 
  -3   0   0     3129.43     3017.04     94.70 o 
  -2   0   0     7081.42     6943.71    173.49 o 
  -1   0   0    10032.64     8917.87    156.73 o 
  -1 -12   1       41.14       98.24     47.80 o 
   0 -12   1        2.57        5.59     25.42 o 
  -2 -11   1       28.45       67.00     33.16 o 
  -1 -11   1       32.87       56.02     50.82 o 
   0 -11   1       38.77       85.46     35.02 o 
  -3 -10   1       22.00       10.91     29.34 o 
  -2 -10   1       16.74       44.82     29.33 o 
  -1 -10   1      124.30      114.55     39.13 o 
   0 -10   1        6.33        0.94     23.79 o 
  -4  -9   1       47.10       38.71     28.82 o 
  -3  -9   1        6.62       32.65     27.38 o 
  -2  -9   1       11.02       18.66     26.20 o 
  -1  -9   1       68.63       42.85     41.75 o 
   0  -9   1       37.48       31.51     19.89 o 
  -5  -8   1        5.21       39.64     26.99 o 
  -4  -8   1       10.03       20.18     25.59 o 
  -3  -8   1       96.42      107.92     36.52 o 
  -2  -8   1      131.69      203.88     43.99 o 
  -1  -8   1      332.19      348.00     38.98 o 
   0  -8   1        9.55       30.91     18.49 o 
  -6  -7   1        0.56       34.80     41.69 o 
  -5  -7   1       23.62       54.52     26.51 o 
  -4  -7   1       20.65       19.14     25.57 o 
  -3  -7   1       28.39       26.81     27.63 o 
  -2  -7   1       13.30       26.55     23.01 o 
  -1  -7   1      112.36      107.37     22.31 o 
   0  -7   1      103.05       90.16     20.99 o 
  -7  -6   1        0.68        5.10     29.52 o 
  -6  -6   1       64.25       88.67     50.79 o 
  -5  -6   1       63.54       41.62     25.46 o 
  -4  -6   1      235.08      279.31     53.06 o 
  -3  -6   1      412.11      485.20     62.92 o 
  -2  -6   1      176.47      218.83     28.52 o 
  -1  -6   1      455.51      446.05     37.56 o 
   0  -6   1      547.04      595.07     42.01 o 
  -8  -5   1        6.20       26.45     27.34 o 
  -7  -5   1       21.65       38.68     27.18 o 
  -6  -5   1       67.13      110.02     35.86 o 
  -5  -5   1       30.58       16.59     28.30 o 
  -4  -5   1      111.59      116.13     28.64 o 
  -3  -5   1      406.20      429.35     44.88 o 
  -2  -5   1       56.31       54.04     16.29 o 
  -1  -5   1      233.42      236.80     26.16 o 
   0  -5   1      305.76      259.38     30.08 o 
  -9  -4   1       44.88       74.41     34.09 o 
  -8  -4   1       11.46       83.96     41.82 o 
  -7  -4   1       19.00       47.46     27.92 o 
  -6  -4   1      226.90      193.03     47.38 o 
  -5  -4   1      120.01      112.15     28.94 o 
  -4  -4   1      258.27      284.56     37.73 o 
  -3  -4   1      472.40      489.91     54.68 o 
  -2  -4   1     1182.34     1190.35     52.11 o 
  -1  -4   1     1031.68     1037.11     44.85 o 
   0  -4   1     2373.84     2328.80     80.67 o 
 -10  -3   1       20.32      104.90     65.22 o 
  -9  -3   1        5.07        0.62     24.42 o 
  -8  -3   1       92.23      143.84     39.30 o 
  -7  -3   1       30.63       25.75     29.12 o 
  -6  -3   1      438.58      448.74     51.26 o 
  -5  -3   1      409.08      564.89     50.13 o 
  -4  -3   1      459.54      529.99     46.94 o 
  -3  -3   1      512.00      560.41     45.75 o 
  -2  -3   1       87.13       57.49     15.62 o 
  -1  -3   1     2555.60     2334.42     66.24 o 
   0  -3   1    10048.39     9591.90    280.27 o 
 -11  -2   1       27.10      134.04     53.53 o 
 -10  -2   1       18.14       49.09     33.41 o 
  -9  -2   1        8.25       24.00     26.02 o 
  -8  -2   1      126.71      150.91     60.96 o 
  -7  -2   1       13.70       55.34     22.54 o 
  -6  -2   1      185.22      278.59     31.49 o 
  -5  -2   1       52.01       78.86     19.24 o 
  -4  -2   1     1156.42     1229.22     52.22 o 
  -3  -2   1       80.43       84.70     20.49 o 
  -2  -2   1     5753.54     5488.38    148.52 o 
  -1  -2   1     3266.18     3272.32     93.09 o 
   0  -2   1     1824.07     2007.05     60.10 o 
 -12  -1   1       40.59       70.75     45.75 o 
 -11  -1   1       29.11       76.30     39.58 o 
 -10  -1   1      128.65      187.15     66.74 o 
  -9  -1   1       72.14       50.47     30.65 o 
  -8  -1   1      335.88      351.90     37.70 o 
  -7  -1   1      106.48      124.49     24.38 o 
  -6  -1   1      440.99      431.56     37.63 o 
  -5  -1   1      241.69      235.81     27.19 o 
  -4  -1   1     1015.23      947.96     44.95 o 
  -3  -1   1     2467.94     2252.73     71.47 o 
  -2  -1   1     3326.26     3230.13     90.49 o 
  -1  -1   1    28870.24    27644.37    716.42 o 
 -12   0   1        2.77       67.26     31.12 o 
 -11   0   1       37.08       65.00     40.18 o 
 -10   0   1        5.75       27.57     26.44 o 
  -9   0   1       40.03       31.66     18.52 o 
  -8   0   1        9.24       23.90     18.28 o 
  -7   0   1      103.93       90.06     21.09 o 
  -6   0   1      567.52      655.45     47.47 o 
  -5   0   1      280.54      277.97     32.86 o 
  -4   0   1     2415.20     2276.74     77.80 o 
  -3   0   1     9904.54     9399.23    241.16 o 
  -2   0   1     1848.57     1936.49     55.68 o 
   0   0   1    10019.55     9016.55    117.34 o 
 -13   1   1       41.36       15.46     26.12 o 
 -12   1   1      165.36      205.58     48.61 o 
 -11   1   1       38.81        1.83     23.25 o 
 -10   1   1      242.07      231.84     34.03 o 
  -9   1   1      550.99      576.13     48.95 o 
  -8   1   1      598.04      636.75     52.86 o 
  -7   1   1       32.02       16.21     18.14 o 
  -6   1   1     4900.02     4640.17    134.34 o 
  -5   1   1      138.00      250.52     28.00 o 
  -4   1   1     3843.89     3816.36     97.49 o 
  -3   1   1     3466.45     3598.75     99.22 o 
  -2   1   1     8236.29     7052.81    166.05 o 
  -1   1   1    28473.23    27887.75    459.09 o 
   0   1   1     2667.10     2989.39     71.15 o 
   1   1   1    19288.49    18778.17    584.71 o 
   1 -14   2        3.33       29.93     28.66 o 
   0 -13   2       23.78       22.47     26.17 o 
   1 -13   2        4.82       31.09     27.44 o 
  -2 -12   2       14.04        0.31     54.03 o 
  -1 -12   2       20.68       29.57     31.04 o 
   0 -12   2       92.19       96.30     38.03 o 
   1 -12   2       32.38       29.21     25.24 o 
  -3 -11   2       10.51       26.76     37.87 o 
  -2 -11   2       20.63       67.04     55.18 o 
  -1 -11   2       10.25       24.56     28.31 o 
   0 -11   2       37.22       87.68     34.98 o 
   1 -11   2       60.69       47.73     21.19 o 
  -4 -10   2        6.89       83.77     44.88 o 
  -3 -10   2       58.61       70.44     31.02 o 
  -2 -10   2       29.78       35.70     27.62 o 
  -1 -10   2       67.92       84.50     34.58 o 
   0 -10   2      116.27       77.98     25.99 o 
   1 -10   2      183.88      174.54     29.28 o 
  -5  -9   2       27.37        7.97     27.74 o 
  -4  -9   2       16.78       70.86     37.09 o 
  -3  -9   2       16.15       33.23     27.78 o 
  -2  -9   2      164.39      220.50     48.28 o 
  -1  -9   2       38.49       36.55     18.81 o 
   0  -9   2       51.83       51.31     22.51 o 
   1  -9   2       17.26       34.49     19.27 o 
  -6  -8   2       11.31       21.20     26.79 o 
  -5  -8   2       45.96       59.48     32.79 o 
  -4  -8   2        9.00       16.20     27.25 o 
  -3  -8   2        2.70       18.64     25.91 o 
  -2  -8   2      117.51       41.15     23.57 o 
  -1  -8   2      189.88      199.56     27.76 o 
   0  -8   2      191.25      156.35     27.20 o 
   1  -8   2      431.43      440.24     42.89 o 
  -7  -7   2       11.66        0.31     28.11 o 
  -6  -7   2       28.57       75.08     32.62 o 
  -5  -7   2       52.05       48.63     30.10 o 
  -4  -7   2      163.23      263.63     53.08 o 
  -3  -7   2      491.52      566.80     55.92 o 
  -2  -7   2       84.74      122.38     22.82 o 
  -1  -7   2      151.94      175.74     25.69 o 
   0  -7   2     1748.97     1732.92     78.47 o 
   1  -7   2      282.67      289.46     34.41 o 
  -8  -6   2       10.19       42.70     29.42 o 
  -7  -6   2       29.14     o 
   2 -11   5      862.48      939.64     68.67 o 
   3 -11   5     1033.70     1044.58     55.81 o 
   4 -11   5      461.75      453.74     45.75 o 
  -6 -10   5       18.12       29.46     28.51 o 
  -5 -10   5       49.47       29.28     28.35 o 
  -4 -10   5        6.72       42.61     23.27 o 
  -3 -10   5      106.91      121.87     41.04 o 
  -2 -10   5       65.48       56.24     20.41 o 
  -1 -10   5       13.73       16.30     18.33 o 
   0 -10   5        3.12        4.08     18.87 o 
   1 -10   5      156.95      176.68     31.27 o 
   2 -10   5      251.85      247.90     29.35 o 
   3 -10   5      675.76      705.95     54.31 o 
   4 -10   5      216.05      278.35     36.14 o 
  -7  -9   5       13.04       71.12     30.97 o 
  -6  -9   5       37.11       66.61     31.85 o 
  -5  -9   5       23.29       28.97     20.99 o 
  -4  -9   5      123.52      135.11     31.48 o 
  -3  -9   5      206.20      305.71     35.17 o 
  -2  -9   5      141.19       85.57     25.83 o 
  -1  -9   5       26.76       41.82     21.12 o 
   0  -9   5      944.77      901.00     59.04 o 
   1  -9   5      155.23      182.96     27.76 o 
   2  -9   5     2115.42     2130.58     81.83 o 
   3  -9   5     2575.77     2652.04     96.76 o 
   4  -9   5      644.79      669.17     54.86 o 
  -8  -8   5       20.68       19.35     27.66 o 
  -7  -8   5        6.89        2.40     24.72 o 
  -6  -8   5        8.44        8.61     21.87 o 
  -5  -8   5       37.91       27.19     23.54 o 
  -4  -8   5      231.17      209.39     30.51 o 
  -3  -8   5      161.68      210.27     35.44 o 
  -2  -8   5      514.83      557.15     56.85 o 
  -1  -8   5     1720.43     1587.83     71.12 o 
   0  -8   5      121.25      148.22     24.80 o 
   1  -8   5      902.13     1020.12     48.19 o 
   2  -8   5       17.85       35.52     17.42 o 
   3  -8   5      612.75      631.34     41.38 o 
   4  -8   5     1164.14     1226.42     54.74 o 
  -9  -7   5       13.04       21.43     28.07 o 
  -8  -7   5        5.50       19.43     27.37 o 
  -7  -7   5       89.02       56.99     27.02 o 
  -6  -7   5       60.90       82.88     27.09 o 
  -5  -7   5     1209.17     1264.51     75.28 o 
  -4  -7   5      573.39      579.03     54.64 o 
  -3  -7   5      682.50      809.61     60.81 o 
  -2  -7   5     2410.61     2171.62    100.99 o 
  -1  -7   5      511.10      532.64     41.64 o 
   0  -7   5     1315.17     1326.22     54.64 o 
   1  -7   5     1901.37     1870.45     65.63 o 
   2  -7   5      518.87      667.43     42.12 o 
   3  -7   5     1465.35     1650.94     60.76 o 
   4  -7   5     1010.54     1033.86     42.06 o 
 -10  -6   5       19.16       20.22     31.30 o 
  -9  -6   5       33.89      110.31     37.77 o 
  -8  -6   5        5.86       14.56     20.34 o 
  -7  -6   5       57.75       61.43     27.75 o 
  -6  -6   5      859.74      882.65     73.32 o 
  -5  -6   5       56.43       79.93     20.17 o 
  -4  -6   5     4270.99     4234.34    118.90 o 
  -3  -6   5      356.74      353.72     31.27 o 
  -2  -6   5     1144.31     1073.00     68.06 o 
  -1  -6   5     1097.41     1027.46     58.37 o 
   0  -6   5     2485.76     2558.01     69.76 o 
   1  -6   5     3598.95     3543.82     89.52 o 
   2  -6   5       75.30      109.32     20.87 o 
   3  -6   5      864.82      933.14     41.95 o 
   4  -6   5       76.47       74.88     16.25 o 
 -11  -5   5       11.28       15.35     28.45 o 
 -10  -5   5       46.00       83.65     41.08 o 
  -9  -5   5       21.26       25.38     22.94 o 
  -8  -5   5       35.82       45.38     25.73 o 
  -7  -5   5     1221.12     1156.93     82.50 o 
  -6  -5   5       52.03       87.51     21.63 o 
  -5  -5   5     2124.74     1966.14     72.35 o 
  -4  -5   5      203.13      227.11     28.70 o 
  -3  -5   5      550.00      621.26     52.40 o 
  -2  -5   5      759.70      759.41     41.54 o 
  -1  -5   5      419.12      459.27     30.53 o 
   0  -5   5     6316.77     6899.15    163.63 o 
   1  -5   5      414.38      501.70     26.98 o 
   2  -5   5      736.12      760.74     35.03 o 
   3  -5   5      513.15      595.36     35.58 o 
   4  -5   5      252.49      231.71     22.97 o 
 -12  -4   5        6.92       36.44     27.31 o 
 -11  -4   5      139.89      202.61     51.90 o 
 -10  -4   5        5.96        0.31     23.50 o 
  -9  -4   5      124.89      195.69     38.87 o 
  -8  -4   5      234.44      259.65     32.06 o 
  -7  -4   5      593.64      597.22     51.71 o 
  -6  -4   5     4279.40     4156.47    132.69 o 
  -5  -4   5      211.20      222.36     30.39 o 
  -4  -4   5       63.54       47.67     19.13 o 
  -3  -4   5      106.97       89.39     19.70 o 
  -2  -4   5      526.41      538.64     39.38 o 
  -1  -4   5     2071.39     2113.15     63.95 o 
   0  -4   5     8766.46     8761.13    198.87 o 
   1  -4   5     1253.06     1114.92     41.99 o 
   2  -4   5      984.96      978.56     39.78 o 
   3  -4   5     2256.00     1964.74     56.23 o 
   4  -4   5       85.94       82.76     18.35 o 
 -13  -3   5       14.03       11.10     26.86 o 
 -12  -3   5        0.48        6.34     24.86 o 
 -11  -3   5       48.37       50.07     23.93 o 
 -10  -3   5      105.92      154.22     33.59 o 
  -9  -3   5      200.76      232.69     43.31 o 
  -8  -3   5      156.39      196.10     34.25 o 
  -7  -3   5      744.72      882.16     61.42 o 
  -6  -3   5      372.54      376.61     36.59 o 
  -5  -3   5      527.04      633.95     40.79 o 
  -4  -3   5       91.95       65.43     15.40 o 
  -3  -3   5    21573.84    22587.08    499.86 o 
  -2  -3   5      855.86      714.18     28.51 o 
  -1  -3   5     3982.71     4280.07     98.76 o 
   0  -3   5     2417.85     2172.64     61.57 o 
   1  -3   5      543.38      572.36     36.72 o 
   2  -3   5      640.84      692.06     40.47 o 
   3  -3   5     1124.18     1163.08     59.82 o 
   4  -3   5      707.55      674.75     50.11 o 
 -14  -2   5       23.92       45.48     29.12 o 
 -13  -2   5       77.61      157.67     34.49 o 
 -12  -2   5       94.41      105.50     27.64 o 
 -11  -2   5      324.14      387.39     48.68 o 
 -10  -2   5       68.37       65.60     23.62 o 
  -9  -2   5      137.00      148.34     27.33 o 
  -8  -2   5      493.16      497.22     40.85 o 
  -7  -2   5     2461.94     2252.71     76.11 o 
  -6  -2   5     1189.83     1086.27     53.17 o 
  -5  -2   5      778.84      792.48     38.23 o 
  -4  -2   5      553.91      504.82     28.56 o 
  -3  -2   5      870.22      701.35     35.82 o 
  -2  -2   5      982.33      983.05     35.46 o 
  -1  -2   5      228.18      213.69     20.19 o 
   0  -2   5     4016.42     3741.10     85.28 o 
   1  -2   5      712.66      705.51     33.85 o 
   2  -2   5     1494.51     1514.54     52.57 o 
   3  -2   5      796.62      732.63     43.55 o 
   4  -2   5        9.81       24.05     15.54 o 
 -15  -1   5       12.54       19.91     30.83 o 
 -14  -1   5       13.94       19.25     25.27 o 
 -13  -1   5       18.06       48.12     23.45 o 
 -12  -1   5      138.68       75.56     24.54 o 
 -11  -1   5       33.25       61.52     22.64 o 
 -10  -1   5       13.89        5.49     16.56 o 
  -9  -1   5       30.75       13.07     18.72 o 
  -8  -1   5     1667.94     1594.96     63.50 o 
  -7  -1   5      466.17      512.46     37.91 o 
  -6  -1   5     1144.70     1165.50     47.92 o 
  -5  -1   5      402.80      432.61     29.88 o 
  -4  -1   5     2005.34     2045.91     55.42 o 
  -3  -1   5     4006.82     4110.05    118.41 o 
  -2  -1   5      228.16      228.02     16.05 o 
  -1  -1   5      154.59      211.45     19.89 o 
   0  -1   5      251.75      242.75     22.15 o 
   1  -1   5      237.80      195.89     22.76 o 
   2  -1   5       48.14       59.19     17.46 o 
   3  -1   5      400.60      419.15     35.18 o 
   4  -1   5      107.53      105.10     26.79 o 
 -15   0   5       27.87       19.94     26.02 o 
 -14   0   5       27.99       33.80     24.61 o 
 -13   0   5      358.06      317.11     40.82 o 
 -12   0   5      387.89      352.13     41.96 o 
 -11   0   5      127.05      126.29     27.87 o 
 -10   0   5        3.81        9.54     17.59 o 
  -9   0   5      953.58      873.65     52.90 o 
  -8   0   5      115.33      146.41     23.89 o 
  -7   0   5     1310.62     1262.44     49.94 o 
  -6   0   5     2510.71     2570.97     77.71 o 
  -5   0   5     6317.36     7103.10    211.87 o 
  -4   0   5     8697.53     8868.90    173.31 o 
  -3   0   5     2451.00     2322.63     54.06 o 
  -2   0   5     4151.20     4010.49     89.44 o 
  -1   0   5      275.71      276.07     23.56 o 
   0   0   5     1610.40     1525.87     54.07 o 
   1   0   5      266.15      299.26     28.09 o 
   2   0   5       85.47       81.69     19.98 o 
   3   0   5       25.67       40.19     18.58 o 
   4   0   5       97.66      108.46     26.93 o 
 -16   1   5        3.11       27.84     25.70 o 
 -15   1   5       77.76       85.29     24.25 o 
 -14   1   5       29.44       59.62     26.54 o 
 -13   1   5      250.91      234.28     34.40 o 
 -12   1   5       72.71       70.98     22.71 o 
 -11   1   5      852.40      810.68     55.69 o 
 -10   1   5      155.58      192.05     29.86 o 
  -9   1   5      137.80      145.10     19.69 o 
  -8   1   5      879.48      884.98     39.21 o 
  -7   1   5     1883.63     1783.64     53.98 o 
  -6   1   5     3604.49     3582.89     81.07 o 
  -5   1   5      431.27      454.51     26.78 o 
  -4   1   5     1273.74     1124.14     32.45 o 
  -3   1   5      539.09      536.21     22.54 o 
  -2   1   5      730.73      717.70     38.57 o 
  -1   1   5      227.58      205.56     23.53 o 
   0   1   5      257.70      264.57     27.52 o 
   1   1   5      133.97      129.30     22.59 o 
   2   1   5       81.80      113.88     22.82 o 
   3   1   5       77.92       85.54     25.19 o 
   4   1   5        1.46        0.74     16.00 o 
 -17   2   5        2.12       25.07     31.58 o 
 -16   2   5       38.28       45.61     24.43 o 
 -15   2   5       28.62       34.07     23.37 o 
 -14   2   5      243.20      253.33     37.37 o 
 -13   2   5       34.94       44.30     21.00 o 
 -12   2   5       17.29       35.87     15.88 o 
 -11   2   5      843.37      842.90     45.71 o 
 -10   2   5      258.06      247.03     26.41 o 
  -9   2   5     2155.13     2177.55     63.18 o 
  -8   2   5       22.93       16.19     13.37 o 
  -7   2   5      517.01      640.63     32.87 o 
  -6   2   5       76.37      102.23     17.24 o 
  -5   2   5      717.91      742.55     29.02 o 
  -4   2   5      979.41      928.58     33.93 o 
  -3   2   5      672.85      678.86     33.19 o 
  -2   2   5     1507.69     1537.48     53.66 o 
  -1   2   5       52.42       60.00     16.81 o 
   0   2   5       79.63       72.65     20.58 o 
   1   2   5       85.13       74.78     21.52 o 
   2   2   5      227.61      281.69     32.39 o 
   3   2   5       36.83       64.74     23.99 o 
   4   2   5       13.89        9.91     25.28 o 
 -17   3   5       10.38       24.08     25.15 o 
 -16   3   5       23.73       36.41     22.09 o 
 -15   3   5      148.80      113.09     30.18 o 
 -14   3   5      159.56      119.70     28.52 o 
 -13   3   5      256.86      338.16     34.09 o 
 -12   3   5      119.09      138.10     21.95 o 
 -11   3   5     1026.08     1040.12     51.49 o 
 -10   3   5      700.79      696.42     40.86 o 
  -9   3   5     2648.98     2869.54     79.03 o 
  -8   3   5      657.14      689.36     46.63 o 
  -7   3   5     1488.44     1739.71     61.64 o 
  -6   3   5      841.22      949.56     44.06 o 
  -5   3   5      537.27      608.11     33.71 o 
  -4   3   5     2202.40     1960.45     61.30 o 
  -3   3   5     1126.32     1192.14     49.23 o 
  -2   3   5      794.68      757.43     44.71 o 
  -1   3   5      398.86      436.56     35.38 o 
   0   3   5       23.68       30.31     17.55 o 
   1   3   5       77.69       96.83     24.32 o 
   2   3   5       38.73       41.42     23.24 o 
   3   3   5       49.15       88.86     26.94 o 
   4   3   5        9.70       33.74     36.14 o 
 -18   4   5        6.88       14.66     30.41 o 
 -17   4   5        6.65       13.22     24.98 o 
 -16   4   5       15.18       32.63     21.08 o 
 -15   4   5        5.96       40.69     20.03 o 
 -14   4   5       69.28       69.37     19.56 o 
 -13   4   5      359.66      413.85     37.32 o 
 -12   4   5      836.28      873.09     50.56 o 
 -11   4   5      469.02      497.86     35.59 o 
 -10   4   5      210.73      251.87     34.72 o 
  -9   4   5      668.71      689.02     75.63 o 
  -8   4   5     1196.30     1349.19     56.54 o 
  -7   4   5     1016.52     1143.07     47.05 o 
  -6   4   5       84.86      106.59     19.31 o 
  -5   4   5      241.90      209.72     22.07 o 
  -4   4   5       95.19       80.12     18.89 o 
  -3   4   5      680.66      647.13     39.33 o 
  -2   4   5        9.09       16.77     16.08 o 
  -1   4   5       99.64       86.71     20.68 o 
   0   4   5       95.37      104.82     26.13 o 
   1   4   5        1.58       20.96     19.06 o 
   2   4   5       15.00       26.19     23.16 o 
   3   4   5       10.12       21.33     26.25 o 
 -19   5   5        0.26       18.96     33.30 o 
 -18   5   5       69.23       67.63     34.04 o 
 -17   5   5       81.34       82.37     29.96 o 
 -16   5   5      806.11      740.70     62.06 o 
 -15   5   5       35.16       47.55     19.79 o 
 -14   5   5      231.22      185.27     26.75 o 
 -13   5   5     1679.60     1691.32     75.22 o 
 -12   5   5       42.51       22.20     14.21 o 
 -11   5   5     1957.75     2038.17     85.56 o 
 -10   5   5     1811.75     1899.30     70.66 o 
  -9   5   5      648.78      768.32     48.33 o 
  -8   5   5      302.31      344.35     35.62 o 
  -7   5   5      601.46      628.67     38.71 o 
  -6   5   5      570.20      591.06     35.69 o 
  -5   5   5     2205.05     1967.25     66.35 o 
  -4   5   5     2632.94     2697.60     93.58 o 
  -3   5   5      256.80      288.93     35.63 o 
  -2   5   5      195.92      176.48     31.45 o 
  -1   5   5       22.03       41.86     20.29 o 
   0   5   5      269.15      389.55     43.99 o 
   1   5   5       37.19       98.66     29.06 o 
   2   5   5       11.61       28.90     25.92 o 
   4 -19   6       21.79       39.15     27.89 o 
   5 -19   6       13.01       50.86     44.66 o 
   3 -18   6       19.90       32.38     29.25 o 
   4 -18   6        8.49        5.54     24.54 o 
   5 -18   6       21.67       40.92     25.10 o 
   1 -17   6       16.64        0.62     31.16 o 
   2 -17   6       20.51       47.37     26.04 o 
   3 -17   6       29.58       42.74     25.79 o 
   4 -17   6      172.75      166.95     50.98 o 
   5 -17   6      199.09      164.92     33.75 o 
   0 -16   6       23.97       42.77     28.30 o 
   1 -16   6       31.80       65.63     22.96 o 
   2 -16   6        0.56       27.91     20.85 o 
   3 -16   6        1.03        2.65     18.45 o 
   4 -16   6      202.04      187.26     42.46 o 
   5 -16   6       11.33       39.88     24.61 o 
  -1 -15   6      100.74       61.47     27.26 o 
   0 -15   6        6.65       26.75     20.40 o 
   1 -15   6       97.21       93.86     24.83 o 
   2 -15   6      122.53      113.59     25.54 o 
   3 -15   6      374.95      376.87     42.88 o 
   4 -15   6      316.61      347.05     33.69 o 
   5 -15   6       81.33       89.85     26.54 o 
  -3 -14   6       22.17       13.14     30.05 o 
  -2 -14   6       20.26       21.15     24.77 o 
  -1 -14   6       78.48       89.61     46.15 o 
   0 -14   6        5.07       20.16     19.49 o 
   1 -14   6      157.37      169.56     30.57 o 
   2 -14   6      226.42      229.16     31.01 o 
   3 -14   6       26.14       14.29     18.34 o 
   4 -14   6      255.81      250.53     31.20 o 
   5 -14   6      416.66      440.12     44.50 o 
  -4 -13   6        2.18       36.35     37.86 o 
  -3 -13   6       17.15       47.85     25.65 o 
  -2 -13   6        8.00        9.78     20.14 o 
  -1 -13   6      202.98      217.22     29.72 o 
   0 -13   6       88.57      117.19     32.31 o 
   1 -13   6      641.64      647.03     54.80 o 
   2 -13   6      129.85      145.78     25.15 o 
   3 -13   6      155.99      156.74     28.23 o 
   4 -13   6       97.91       -10   0   9     2097.52     2172.12     76.11 o 
  -9   0   9     2800.05     2688.37     90.57 o 
  -8   0   9     1334.23     1260.79     60.32 o 
  -7   0   9     3003.30     2906.41     81.17 o 
  -6   0   9     1205.11     1208.71     45.04 o 
  -5   0   9      932.37      789.48     36.23 o 
  -4   0   9      333.36      315.86     31.01 o 
  -3   0   9      219.25      199.19     25.57 o 
  -2   0   9       44.84       59.46     19.14 o 
  -1   0   9       28.06       17.54     18.96 o 
   0   0   9      143.23      158.05     31.73 o 
   1   0   9       27.17       22.04     23.28 o 
   2   0   9       65.68       39.44     24.75 o 
   3   0   9       17.59       20.56     25.73 o 
 -18   1   9        1.19        0.31     29.01 o 
 -17   1   9        0.21        3.39     23.38 o 
 -16   1   9        2.72        5.31     22.34 o 
 -15   1   9      252.97      317.41     46.70 o 
 -14   1   9       43.54       48.80     19.70 o 
 -13   1   9      152.14      181.93     30.87 o 
 -12   1   9     1695.30     1802.79     80.25 o 
 -11   1   9      239.01      253.38     33.38 o 
 -10   1   9     1588.57     1663.61     67.66 o 
  -9   1   9       70.22      110.42     28.15 o 
  -8   1   9     1794.08     1959.89     72.56 o 
  -7   1   9      523.92      538.65     31.11 o 
  -6   1   9       63.20       73.15     15.11 o 
  -5   1   9       37.54       35.99     15.30 o 
  -4   1   9       60.65       38.25     16.75 o 
  -3   1   9       58.53       70.05     20.24 o 
  -2   1   9       44.74       25.30     16.74 o 
  -1   1   9       65.68       94.13     27.73 o 
   0   1   9       24.47       30.68     24.15 o 
   1   1   9        3.06       32.58     23.49 o 
   2   1   9       27.49       14.98     25.27 o 
 -19   2   9       22.31       49.78     31.16 o 
 -18   2   9       40.66       85.62     36.16 o 
 -17   2   9        2.02       12.98     21.22 o 
 -16   2   9      403.15      524.41     73.99 o 
 -15   2   9      252.91      296.26     43.72 o 
 -14   2   9      437.21      431.33     36.06 o 
 -13   2   9        8.09       45.00     19.77 o 
 -12   2   9     1260.14     1312.56     63.45 o 
 -11   2   9     1717.79     1756.12     70.39 o 
 -10   2   9     2137.48     2211.61     70.52 o 
  -9   2   9     1600.37     1582.87     57.94 o 
  -8   2   9       50.10       49.25     15.68 o 
  -7   2   9      781.58      723.51     38.18 o 
  -6   2   9      223.72      195.33     19.94 o 
  -5   2   9      133.65      104.14     22.37 o 
  -4   2   9       67.33       89.42     25.87 o 
  -3   2   9       98.20      130.24     30.70 o 
  -2   2   9      168.32      191.53     38.01 o 
  -1   2   9       15.83       23.66     23.74 o 
   0   2   9       67.16      103.60     48.05 o 
   1   2   9       29.22       39.52     27.32 o 
 -20   3   9        7.62       25.58     33.47 o 
 -19   3   9        3.46        3.11     28.43 o 
 -18   3   9       74.63       34.71     37.96 o 
 -17   3   9        9.60       81.51     37.62 o 
 -16   3   9      290.97      219.34     51.11 o 
 -15   3   9      103.66      112.50     18.83 o 
 -14   3   9      257.70      232.21     27.17 o 
 -13   3   9      192.12      234.95     26.35 o 
 -12   3   9      136.13      134.47     26.36 o 
 -11   3   9      810.48      905.89     46.41 o 
 -10   3   9      501.65      528.67     36.32 o 
  -9   3   9      465.83      439.37     32.44 o 
  -8   3   9       77.68       62.31     16.25 o 
  -7   3   9      785.11      803.33     40.36 o 
  -6   3   9      583.40      587.97     45.10 o 
  -5   3   9      195.53      250.24     35.19 o 
  -4   3   9       11.17        5.74     19.77 o 
  -3   3   9       39.68       46.92     21.93 o 
  -2   3   9       10.82       12.16     20.87 o 
  -1   3   9        7.64        0.00     25.40 o 
   0   3   9       17.04       30.97     26.04 o 
 -20   4   9       21.09        0.31     28.55 o 
 -19   4   9       27.06       29.53     32.26 o 
 -18   4   9      149.49       85.01     38.18 o 
 -17   4   9      210.93      300.26     53.14 o 
 -16   4   9      441.98      498.77     83.30 o 
 -15   4   9      214.66      236.84     34.05 o 
 -14   4   9      500.96      471.49     37.09 o 
 -13   4   9       99.39      120.72     27.97 o 
 -12   4   9     1135.02     1189.86     69.18 o 
 -11   4   9       14.20       30.97     14.11 o 
 -10   4   9      537.97      590.41     36.10 o 
  -9   4   9       66.53       80.24     15.03 o 
  -8   4   9      433.25      470.32     39.33 o 
  -7   4   9      562.71      588.51     44.96 o 
  -6   4   9       34.09       24.10     19.92 o 
  -5   4   9      114.48      141.01     31.61 o 
  -4   4   9       30.19       15.79     17.52 o 
  -3   4   9       80.81       73.69     28.31 o 
  -2   4   9       16.96        9.67     23.40 o 
  -1   4   9       44.95       56.04     26.22 o 
 -21   5   9       28.75       59.20     35.27 o 
 -20   5   9       79.63       55.69     35.30 o 
 -19   5   9       21.16       49.58     35.13 o 
 -18   5   9      209.45      259.89     53.55 o 
 -17   5   9       11.57       22.70     29.58 o 
 -16   5   9       31.00       20.31     17.50 o 
 -15   5   9      193.49      176.09     30.45 o 
 -14   5   9       94.72      109.16     27.77 o 
 -13   5   9     1214.73     1374.96     77.42 o 
 -12   5   9      402.13      478.13     41.67 o 
 -11   5   9      163.91      185.08     24.96 o 
 -10   5   9      233.17      219.67     31.24 o 
  -9   5   9     1104.71     1047.07     67.29 o 
  -8   5   9      117.36      103.03     22.71 o 
  -7   5   9      459.14      370.90     44.04 o 
  -6   5   9       23.14       13.44     19.03 o 
  -5   5   9       16.81       52.22     22.07 o 
  -4   5   9       16.37       55.22     24.77 o 
  -3   5   9        1.03       16.34     26.75 o 
  -2   5   9       30.33       69.93     28.03 o 
 -21   6   9        5.30       25.70     33.19 o 
 -20   6   9       18.96       23.65     33.15 o 
 -19   6   9       75.80       66.91     55.74 o 
 -18   6   9      210.33      207.33     51.68 o 
 -17   6   9      259.86      254.90     43.59 o 
 -16   6   9        1.17       33.13     21.30 o 
 -15   6   9      127.48      159.92     35.16 o 
 -14   6   9      246.07      279.93     39.03 o 
 -13   6   9      156.06      154.19     32.01 o 
 -12   6   9       86.75       81.87     25.61 o 
 -11   6   9       29.13       44.22     22.96 o 
 -10   6   9      412.20      460.73     54.47 o 
  -9   6   9       39.19       73.44     28.93 o 
  -8   6   9       57.52       34.74     22.25 o 
  -7   6   9      111.18      118.87     29.38 o 
  -6   6   9       41.79       43.66     24.35 o 
  -5   6   9       35.36       37.61     22.83 o 
  -4   6   9        3.07       18.88     22.77 o 
  -3   6   9       20.49       16.96     25.75 o 
 -22   7   9       60.25      103.11     39.83 o 
 -21   7   9       49.67       24.85     37.19 o 
 -20   7   9       64.89       24.93     36.39 o 
 -19   7   9       84.93       70.79     39.87 o 
 -18   7   9      173.33      187.88     72.49 o 
 -17   7   9       18.37       61.19     24.57 o 
 -16   7   9      854.84      845.60     84.56 o 
 -15   7   9      481.95      469.67     51.70 o 
 -14   7   9     1809.68     1846.57     95.32 o 
 -13   7   9      702.87      732.08     62.29 o 
 -12   7   9      408.38      409.66     49.09 o 
 -11   7   9      394.89      480.42     64.03 o 
 -10   7   9        3.49       20.34     25.35 o 
  -9   7   9        1.26        9.72     26.89 o 
  -8   7   9       32.22       51.86     20.89 o 
  -7   7   9       72.97      115.63     27.19 o 
  -6   7   9       10.52       31.57     21.59 o 
  -5   7   9       17.35       57.57     25.80 o 
 -22   8   9       16.59        1.25     31.58 o 
 -21   8   9       21.75       12.39     38.82 o 
 -20   8   9        3.40       26.09     35.52 o 
 -19   8   9      247.14      240.00     44.68 o 
 -18   8   9       20.49       29.97     27.74 o 
 -17   8   9       62.31       96.18     26.87 o 
 -16   8   9      146.76      140.75     47.33 o 
 -15   8   9      260.76      243.77     38.41 o 
 -14   8   9      395.00      424.70     71.36 o 
 -13   8   9       42.96       43.73     24.50 o 
 -12   8   9      204.53      162.24     34.46 o 
 -11   8   9       31.70       58.45     29.00 o 
 -10   8   9        0.03       10.20     26.49 o 
  -9   8   9        5.07       35.72     29.34 o 
  -8   8   9       68.15       90.69     37.64 o 
  -7   8   9        4.49       22.81     23.94 o 
  -6   8   9        8.37        0.00     26.09 o 
 -23   9   9       11.05       14.12     33.67 o 
 -22   9   9        7.37       27.83     38.38 o 
 -21   9   9       93.06      145.65     40.16 o 
 -20   9   9       90.10       87.16     36.35 o 
 -19   9   9      206.19      250.48     47.29 o 
 -18   9   9      251.13      261.85     42.60 o 
 -17   9   9      197.45      214.32     42.68 o 
 -16   9   9      318.28      327.21     45.57 o 
 -15   9   9      108.96       53.52     25.65 o 
 -14   9   9      118.10      101.17     31.83 o 
 -13   9   9      109.94      105.14     32.61 o 
 -12   9   9       60.00       57.70     24.81 o 
 -11   9   9        2.63        0.31     21.61 o 
 -10   9   9       29.49       16.44     27.41 o 
  -9   9   9       92.28      108.84     55.24 o 
  -8   9   9       42.57        0.62     30.24 o 
  -7   9   9       33.12       66.91     72.89 o 
   8 -23  10        1.63        9.22     35.51 o 
   9 -23  10       22.01      106.45     44.34 o 
   6 -22  10       43.21       28.89     35.58 o 
   7 -22  10       16.71       34.74     34.54 o 
   8 -22  10       65.24      142.56     44.55 o 
   9 -22  10        8.79       13.51     32.18 o 
   4 -21  10        8.55       86.60     51.40 o 
   5 -21  10        2.05       17.26     26.03 o 
   6 -21  10       80.86      251.70    127.56 o 
   7 -21  10       36.75       28.45     33.17 o 
   8 -21  10       41.83       28.43     39.31 o 
   9 -21  10        8.40        2.48     27.97 o 
   2 -20  10       19.00       35.81     29.33 o 
   3 -20  10       10.13       44.19     34.59 o 
   4 -20  10       12.82        5.18     24.74 o 
   5 -20  10       77.15       58.07     31.61 o 
   6 -20  10        3.68       11.95     26.43 o 
   7 -20  10      159.90      177.04     31.02 o 
   8 -20  10      119.70       96.73     41.02 o 
   9 -20  10      122.10      204.60     70.65 o 
   1 -19  10       66.56       77.63     38.45 o 
   2 -19  10       10.70       40.33     30.79 o 
   3 -19  10        0.67       27.28     27.38 o 
   4 -19  10       21.14       46.04     28.32 o 
   5 -19  10       44.70       39.15     25.98 o 
   6 -19  10       36.58       11.73     26.19 o 
   7 -19  10      127.00       71.53     45.22 o 
   8 -19  10       64.27       98.75     28.12 o 
   9 -19  10       26.44       48.09     33.81 o 
  -1 -18  10        4.70       17.73     29.27 o 
   0 -18  10       49.01       59.47     31.00 o 
   1 -18  10       17.54       24.19     30.71 o 
   2 -18  10        4.80       36.05     30.80 o 
   3 -18  10       20.33       36.19     23.96 o 
   4 -18  10      116.42      130.24     37.77 o 
   5 -18  10      409.29      382.10     53.03 o 
   6 -18  10        4.88       18.05     24.98 o 
   7 -18  10      385.87      373.60     51.20 o 
   8 -18  10      243.43      226.99     42.73 o 
   9 -18  10        6.62       50.03     26.63 o 
  -2 -17  10        5.40       20.69     27.95 o 
  -1 -17  10      126.60       81.68     33.67 o 
   0 -17  10       31.26       27.73     33.97 o 
   1 -17  10       87.08      127.06     36.60 o 
   2 -17  10       89.41      136.43     30.11 o 
   3 -17  10      491.49      445.47     54.45 o 
   4 -17  10       31.83       50.91     27.36 o 
   5 -17  10      477.36      409.05     52.09 o 
   6 -17  10      342.65      333.50     50.59 o 
   7 -17  10      117.00      124.31     42.46 o 
   8 -17  10      319.37      250.48     43.61 o 
   9 -17  10       20.83       14.15     22.94 o 
  -3 -16  10       11.81       44.76     27.27 o 
  -2 -16  10       78.74       58.55     29.95 o 
  -1 -16  10       25.30       53.07     27.76 o 
   0 -16  10       17.49       37.57     28.26 o 
   1 -16  10      179.82      228.50     39.20 o 
   2 -16  10       79.36       88.35     28.11 o 
   3 -16  10      619.85      581.91     61.15 o 
   4 -16  10       15.47       42.01     26.47 o 
   5 -16  10      497.93      493.84     57.32 o 
   6 -16  10      337.65      308.81     49.27 o 
   7 -16  10       43.63       47.36     26.22 o 
   8 -16  10       55.25       80.72     28.19 o 
   9 -16  10       75.68       57.79     28.01 o 
  -5 -15  10        3.75        7.44     32.39 o 
  -4 -15  10       21.32       52.48     29.34 o 
  -3 -15  10      124.29       78.08     29.40 o 
  -2 -15  10      238.68      308.88     70.88 o 
  -1 -15  10      119.68      125.50     35.78 o 
   0 -15  10       96.47       96.76     33.13 o 
   1 -15  10       92.29       75.59     23.05 o 
   2 -15  10       79.67       44.12     31.10 o 
   3 -15  10      564.38      628.73     63.29 o 
   4 -15  10       29.22       25.01     25.80 o 
   5 -15  10      431.78      433.87     50.85 o 
   6 -15  10      866.88      853.32     68.30 o 
   7 -15  10      170.91      135.82     32.78 o 
   8 -15  10      151.00      182.88     35.24 o 
   9 -15  10       20.80       26.82     20.92 o 
  -6 -14  10        6.64       21.89     24.31 o 
  -5 -14  10        9.35       21.13     23.66 o 
  -4 -14  10       41.42       83.51     26.53 o 
  -3 -14  10       89.24      110.97     28.38 o 
  -2 -14  10       16.89       15.91     20.36 o 
  -1 -14  10      151.54      139.35     31.94 o 
   0 -14  10      210.36      215.46     30.88 o 
   1 -14  10       12.91       26.09     17.31 o 
   2 -14  10      214.00      186.15     38.70 o 
   3 -14  10      135.28      150.05     48.27 o 
   4 -14  10       28.34       15.36     22.78 o 
   5 -14  10      108.05      112.64     28.40 o 
   6 -14  10      740.90      703.18     61.65 o 
   7 -14  10       66.41       82.34     28.91 o 
   8 -14  10       39.13       64.18     25.37 o 
   9 -14  10       22.23       17.61     21.51 o 
  -7 -13  10       11.08       50.92     28.44 o 
  -6 -13  10       27.96       50.77     25.71 o 
  -5 -13  10        6.03        4.78     21.07 o 
  -4 -13  10      436.23      514.24     54.05 o 
  -3 -13  10      133.30      114.25     33.26 o 
  -2 -13  10        4.27        5.86     15.62 o 
  -1 -13  10      266.47      201.52     25.92 o 
   0 -13  10      113.08      126.58     24.69 o 
   1 -13  10     1605.61     1541.78     68.89 o 
   2 -13  10     2236.81     2176.80     74.08 o 
   3 -13  10      734.88      732.81     58.35 o 
   4 -13  10       30.23       23.17     22.14 o 
   5 -13  10      270.35      257.27     37.71 o 
   6 -13  10      577.70      530.31     53.65 o 
   7 -13  10      411.63      367.62     45.83 o 
   8 -13  10      132.85      133.30     31.56 o 
   9 -13  10       31.39       22.66     23.20 o 
  -8 -12  10       35.51      100.04     45.51 o 
  -7 -12  10       12.55       28.39     23.28 o 
  -6 -12  10       72.89       57.76     28.76 o 
  -5 -12  10       61.44       40.31     21.33 o 
  -4 -12  10       63.81       67.91     21.67 o 
  -3 -12  10       55.86       61.73     27.95 o 
  -2 -12  10       77.48      106.68     22.10 o 
  -1 -12  10       69.48       64.73     16.84 o 
   0 -12  10      121.32      169.00     25.88 o 
   1 -12  10      207.50      210.40     25.70 o 
   2 -12  10       21.97       47.96     23.22 o 
   3 -12  10      123.64      118.09     28.82 o 
   4 -12  10      699.52      636.94     54.62 o 
   5 -12  10       51.10       45.96     23.75 o 
   6 -12  10      151.20      202.41     35.81 o 
   7 -12  10       92.97       80.21     32.13 o 
   8 -12  10       75.02       66.60     35.61 o 
   9 -12  10       16.88       34.51     29.38 o 
  -9 -11  10       40.81       48.66     30.15 o 
  -8 -11  10       76.25       62.10     27.71 o 
  -7 -11  10        6.36        5.94     19.59 o 
  -6 -11  10      187.94      212.50     33.12 o 
  -5 -11  10      204.76      157.42     30.69 o 
  -4 -11  10      113.28      139.84     29.68 o 
  -3 -11  10       11.29        8.03     14.50 o 
  -2 -11  10      782.57      757.46     56.10 o 
  -1 -11  10      246.41      248.2NY NNVNNWYN_WCC O *         ^$     O *  
     ^$    O * 	    
  V$     O *         O$   
	  O *        ]$   
  O *        [$   
 O *  
       V$    O *        ]$     O *       [$     O *  	       Z$   O *        Z$   O * 	      O$   O *          W$    O *         V$   O *        [$    O *        Y$  	 O *     ]$   O *        \$  	  O *       \$   O *  	      \$  	 O *   	     [$   O *        [$    O *       O$    O *      \$     O *        \$   	 O *      
 _$    O *        V$   	  O *        O$    O *        Y$     O * 	       \$    O *        X$  	 O * 	       V$   O *         ]$    O *       ^$   O *        [$   O *        O$    O *   

       ^$   O *  
      \$    O *          Z$    O * 
     Z$  	 O *          [$   O *        Z$   O *        O$   O *          X$   O *       _$    O *         ]$    O *        Z$    O *         ^$    O *          \$    O *            ^$    O *           O$    O *           ]$   O *          \$    O *           ^$   O *          ]$   O *        [$  	 O *       ]$  	 O *         \$   O *        ^$   O *         ^$   O *      _$    O *          \$    O *     _$    O *         [$   O *      W$   O *      	 Y$   O *      
 Z$    O *        	 W$    	 O *  
       ^$     O *  
      Z$    O *          Z$     O *        ]$    O *         _$   O *           \$   O *          Y$   O *         Z$   O *   
       [$   O *         \$  	 O *  
	     ]$  	 O *   
	       [$   O *  
       Z$   O *  	        [$   O *       
  ]$   O *      	  V$    O *          ^$   O *        Y$  	 O *        Y$    O *      	 X$  	 O *        
  Z$    O *          Z$    	 O *        ]$    O *         ]$    O *          ^$    O *         Y$     O *        Z$    O *          \$   O *  
       Z$   	 O *        [$    O *          [$    O *        Y$    O *       V$    O *      [$    O *        ]$   O *      
 X$   	 O *      O$   O *         \$   O * 	    Y$     O *         W$   O *  
	    
  \$    O *        [$    O *          \$   	  O *         X$    O *        Z$     O *        \$    O *  	      
  X$    O *           ]$    O *         ^$   O *         _$    O *         [$    O *   	       W$   O *           ]$    O *         Y$   O *         X$     O *        Z$   O *      ^$    O *  
      \$     O *        Z$     O *         ^$   	  O *   	      V$   O *   	      ]$    O *          W$  	 O *  
       [$   O *  	        X$     O *         Z$    	 O *         _$    O *         ^$     O *         ^$   O *           ]$   O *          ^$  	 O *   	      ]$   O *         [$  	 O *         ]$   O *      
  V$   O *  	       Z$    O *          X$   O *      O$    O *         X$   O *        [$    O *        Z$   O *       _$   O *         Y$    O *         [$   O *        O$    O *          V$   O *          Y$    O *           X$    O *           W$    O *         \$    O *          X$   	 O *         ]$    O *          	 W$    O *         ^$    O *         ^$    O *          Y$   	 O *  
       Y$    O *     ^$    O *       Z$    O *      ]$    O *        _$    O *        ]$    O * 
    \$    O *        X$    O *          ]$    	 O *          Y$   	 O *         X$    O *           ]$    	 O *          	  Z$    	 O *        Z$     O *   	      ]$    O *        	 [$    O *          X$     O *         ^$   	 O *          O$    O *        [$    O *         O$    O *         [$   	 O *       \$    O *         ^$    O *       ^$   	  O *       ]$    O *  	    	  W$    O *      	 ]$    	 O *         _$    O *        	 Z$   		 O *  
    	  W$   	 O *   
      V$    O *          
 Z$    O *            \$     O *        	 ]$   	 O *           W$   	 O *           [$   	 O *          O$      O * 	      \$     O *  	     V$   	 O *  
       V$   	 O *       Y$      O *       \$   	 O *         [$   	 O *  	     ^$    O *  
      Z$     O *       [$   	 O *        	W$   	 O *       W$   O *  	      \$    O *        ]$    	 O *         _$   		 O *  	     Y$     O *         V$    O *          ^$    O *            V$    O *   
         ^$    O *          ^$     O *         Y$     O *        W$      O *         ^$    O *          X$     O *         Y$   	 O *         Y$    O *          \$    O *  	     ^$   	 O *        ^$     O *          Z$    	 O *          Z$   	 O *   	      \$    O *  	      Y$    O *          V$    O *    	       [$    O *          Z$     O *           ^$   	 O *         X$    O *          [$    O *    	       [$      O *        ^$    O *      ]$    	 O *  	      ^$    O *  	      X$    O *  
     X$    O *        V$   	 O *         Y$   		 O *        V$    O *       	]$    O *         Z$    O *        W$     O *  	     Y$    	 O *         Y$    O *       
  Y$    O *   
       [$     O *          _$    O *         W$   	 O *         ]$     O *        	  Y$    O *    
        [$   	 O *         W$    O *       ^$    O *         \$    O *        X$    O *        ^$    O *       X$     O *         ^$    O *       Z$    O *         ^$   	 O *           	]$    	 O *        _$    O *         Z$    O *   
     	 Y$    O *   	      [$   	 O *   	      ^$    O *   
       X$    O *        ]$   	 O *        Y$    O *        Z$    O *        \$   	 O *        Z$   	 O *       \$    O *       ]$    O *        ^$   	 O *         Z$   	 O *       V$   	 O *        \$    O *       ]$    O *       	 X$    O *        Y$    O *         ]$    O *         ^$    O *          X$   	 O *  	       Y$    O *         ^$   	 O *        ]$    O *        ]$     O *   
      _$    O *          ^$     O *        W$    O *          O$   	 O *       ^$    O *         X$    O *       
 Y$   	 O * 
       _$    O *        [$    O *       Z$    	 O *          [$   
	 O *          Y$    O *       _$    O *        Z$    O *         ^$   	 O *         [$   	 O *        V$   
   O *       	]$    O *         _$   	  O *          W$    O *         ^$    O *          O$   	 O *          [$    O *         \$    O *          [$     O *        Y$    O *         ]$   	 O *       .82        0.94     26.89 o 
 -13  -5  12       74.04       29.34     24.83 o 
 -12  -5  12      153.36      120.50     32.85 o 
 -11  -5  12      286.05      247.51     43.95 o 
 -10  -5  12       43.65       25.76     25.05 o 
  -9  -5  12      344.27      378.63     46.14 o 
  -8  -5  12       33.56       26.08     17.71 o 
  -7  -5  12      446.30      440.36     42.21 o 
  -6  -5  12       22.90       12.23     11.38 o 
  -5  -5  12       62.55       42.07     15.81 o 
  -4  -5  12      850.41      850.07     49.14 o 
  -3  -5  12      141.37      140.95     22.28 o 
  -2  -5  12        9.60        9.24     19.03 o 
  -1  -5  12       76.22       84.34     24.84 o 
   0  -5  12      408.53      404.28     45.36 o 
   1  -5  12      133.08       87.17     27.13 o 
   2  -5  12       95.62       58.76     29.74 o 
   3  -5  12        0.18       30.97     28.40 o 
   4  -5  12        4.98       26.98     25.51 o 
 -16  -4  12       53.84       82.86     36.76 o 
 -15  -4  12      100.93      102.69     43.50 o 
 -14  -4  12      127.33      138.62     35.05 o 
 -13  -4  12      506.86      534.02     59.96 o 
 -12  -4  12      156.25      161.18     38.16 o 
 -11  -4  12      340.03      343.87     47.22 o 
 -10  -4  12      691.25      615.74     61.87 o 
  -9  -4  12     1053.78     1020.94     61.20 o 
  -8  -4  12     1068.46     1059.09     66.40 o 
  -7  -4  12      329.55      316.32     34.02 o 
  -6  -4  12      997.78      949.35     45.24 o 
  -5  -4  12      842.50      808.36     46.85 o 
  -4  -4  12     1222.16     1209.37     69.49 o 
  -3  -4  12      100.64       86.08     24.82 o 
  -2  -4  12      654.50      628.31     51.56 o 
  -1  -4  12       25.29       49.05     22.18 o 
   0  -4  12       43.15       42.53     26.45 o 
   1  -4  12      246.08      238.26     45.84 o 
   2  -4  12       24.36       25.42     24.72 o 
   3  -4  12       46.16       58.69     29.09 o 
 -17  -3  12       16.98       22.18     29.36 o 
 -16  -3  12        0.93       15.64     23.32 o 
 -15  -3  12        3.84       13.72     24.11 o 
 -14  -3  12       20.15       70.19     27.52 o 
 -13  -3  12       90.00      111.74     32.65 o 
 -12  -3  12      374.62      355.33     49.15 o 
 -11  -3  12       32.60       47.47     16.74 o 
 -10  -3  12      122.28      204.63     31.35 o 
  -9  -3  12      149.33       78.91     24.79 o 
  -8  -3  12      706.84      630.98     50.58 o 
  -7  -3  12       11.43       23.15     13.43 o 
  -6  -3  12      149.41      201.48     23.44 o 
  -5  -3  12      128.50      122.38     22.01 o 
  -4  -3  12       98.55       88.42     25.98 o 
  -3  -3  12      296.59      335.53     39.68 o 
  -2  -3  12      114.95      105.90     26.09 o 
  -1  -3  12      126.72      100.38     30.27 o 
   0  -3  12       80.62       48.29     26.20 o 
   1  -3  12       11.34        9.15     23.25 o 
   2  -3  12       18.52       10.74     27.12 o 
 -18  -2  12       35.11       15.86     30.60 o 
 -17  -2  12       43.64       79.19     43.14 o 
 -16  -2  12       84.84       80.81     36.92 o 
 -15  -2  12      124.13       87.98     34.89 o 
 -14  -2  12      140.32      134.68     34.71 o 
 -13  -2  12      271.51      255.79     43.24 o 
 -12  -2  12      110.01      101.77     20.05 o 
 -11  -2  12      416.92      474.29     44.25 o 
 -10  -2  12       17.27       61.11     23.17 o 
  -9  -2  12     1200.80     1234.94     72.83 o 
  -8  -2  12       39.02       33.59     19.59 o 
  -7  -2  12      853.03      884.94     47.94 o 
  -6  -2  12     1027.81     1121.02     53.36 o 
  -5  -2  12       14.18       12.64     18.91 o 
  -4  -2  12      647.96      649.35     53.24 o 
  -3  -2  12      110.74       80.08     24.65 o 
  -2  -2  12       31.44       45.60     23.79 o 
  -1  -2  12       41.43       28.64     22.17 o 
   0  -2  12       85.66      168.00     40.48 o 
   1  -2  12       18.01       60.95     31.80 o 
 -19  -1  12       18.97       47.90     50.43 o 
 -18  -1  12       11.25       12.79     22.90 o 
 -17  -1  12       62.46       97.99     30.53 o 
 -16  -1  12       69.02       34.89     25.07 o 
 -15  -1  12       54.01       29.77     25.06 o 
 -14  -1  12        5.02       10.88     22.98 o 
 -13  -1  12      484.83      438.32     42.04 o 
 -12  -1  12      119.72       96.29     27.32 o 
 -11  -1  12     1720.91     1792.25     99.03 o 
 -10  -1  12      225.07      219.75     35.89 o 
  -9  -1  12     1664.24     1780.21     71.50 o 
  -8  -1  12      606.61      579.08     38.44 o 
  -7  -1  12      260.39      272.29     27.79 o 
  -6  -1  12      564.26      610.35     62.41 o 
  -5  -1  12       93.63       84.49     21.52 o 
  -4  -1  12       20.61       38.63     22.32 o 
  -3  -1  12      131.23      105.24     29.99 o 
  -2  -1  12       36.55       62.63     34.12 o 
  -1  -1  12      178.53      179.58     43.27 o 
   0  -1  12        3.35        7.27     23.77 o 
   1  -1  12       39.30      243.89     81.19 o 
 -19   0  12       19.84        9.19     30.66 o 
 -18   0  12       34.67       17.64     31.28 o 
 -17   0  12       21.51       40.02     34.86 o 
 -16   0  12      346.80      319.67     45.61 o 
 -15   0  12      127.68       73.54     31.37 o 
 -14   0  12      143.65      107.93     36.23 o 
 -13   0  12      401.86      433.89     46.04 o 
 -12   0  12     3076.90     3212.85    112.03 o 
 -11   0  12     3753.97     3809.63    120.27 o 
 -10   0  12      110.79      148.46     30.06 o 
  -9   0  12      399.10      419.98     37.95 o 
  -8   0  12      766.75      825.88     47.09 o 
  -7   0  12      186.77      199.53     24.89 o 
  -6   0  12      622.15      563.33     44.58 o 
  -5   0  12      414.45      462.78     51.15 o 
  -4   0  12       38.40       17.50     29.42 o 
  -3   0  12       78.93       42.46     30.01 o 
  -2   0  12       95.36      184.15     41.89 o 
  -1   0  12        3.13        9.77     23.73 o 
   0   0  12       21.95      146.47    139.43 o 
 -20   1  12        0.58       34.34     30.46 o 
 -19   1  12        3.18        6.52     28.30 o 
 -18   1  12       74.97      110.04     38.63 o 
 -17   1  12      235.97      224.59     51.55 o 
 -16   1  12      290.49      183.82     38.67 o 
 -15   1  12      509.98      534.62     59.24 o 
 -14   1  12       65.34      104.27     29.92 o 
 -13   1  12      956.47     1001.85     69.73 o 
 -12   1  12      132.76      165.58     31.87 o 
 -11   1  12      686.09      741.41     55.69 o 
 -10   1  12       49.54       49.84     20.60 o 
  -9   1  12       91.69       99.53     21.58 o 
  -8   1  12      115.10      147.46     24.00 o 
  -7   1  12       18.02       36.42     21.22 o 
  -6   1  12      294.83      312.65     44.70 o 
  -5   1  12      128.18      122.27     34.41 o 
  -4   1  12      255.93      356.03     57.43 o 
  -3   1  12       12.67       55.57     29.95 o 
  -2   1  12       17.73       41.73     26.29 o 
 -21   2  12       12.31        1.25     40.29 o 
 -20   2  12       19.53       42.31     32.80 o 
 -19   2  12       34.43        0.31     30.18 o 
 -18   2  12      164.10      167.01     51.87 o 
 -17   2  12       62.65       33.91     34.34 o 
 -16   2  12      403.17      410.89     66.31 o 
 -15   2  12      285.00      318.28     48.11 o 
 -14   2  12      135.64      145.06     29.93 o 
 -13   2  12      604.93      616.01     52.53 o 
 -12   2  12      110.60      162.03     30.88 o 
 -11   2  12      156.15      122.53     25.27 o 
 -10   2  12       73.27       86.11     21.98 o 
  -9   2  12       15.79       14.83     17.42 o 
  -8   2  12       77.96       63.86     22.61 o 
  -7   2  12      169.78      154.37     33.30 o 
  -6   2  12       15.17       28.41     21.66 o 
  -5   2  12       93.98      149.10     60.98 o 
  -4   2  12       27.42       24.35     23.58 o 
  -3   2  12       19.18       12.39     23.83 o 
 -21   3  12        4.07       19.79     33.12 o 
 -20   3  12      136.19       97.48     42.74 o 
 -19   3  12       36.44       25.61     33.39 o 
 -18   3  12      607.76      533.31     78.13 o 
 -17   3  12      264.30      302.24     61.01 o 
 -16   3  12      285.01      330.79     49.58 o 
 -15   3  12      304.61      358.11     53.38 o 
 -14   3  12       45.46       42.56     29.26 o 
 -13   3  12      825.35      839.83     62.89 o 
 -12   3  12      338.04      414.51     37.86 o 
 -11   3  12      169.26      177.94     29.50 o 
 -10   3  12       47.98      105.22     27.56 o 
  -9   3  12      145.80      134.77     29.60 o 
  -8   3  12      220.40      192.42     39.93 o 
  -7   3  12      278.77      258.79     44.28 o 
  -6   3  12      240.10      257.96     53.30 o 
  -5   3  12        0.23       32.43     28.15 o 
  -4   3  12       47.75       59.48     29.14 o 
 -22   4  12        3.82        0.00     40.44 o 
 -21   4  12       12.21        7.86     35.66 o 
 -20   4  12        7.57       23.98     33.04 o 
 -19   4  12       88.95       83.38     37.76 o 
 -18   4  12       82.58       46.65     35.53 o 
 -17   4  12      130.32      136.42     39.19 o 
 -16   4  12       35.16       45.63     30.02 o 
 -15   4  12      406.93      419.35     55.01 o 
 -14   4  12      114.04      200.43     42.75 o 
 -13   4  12       94.55      100.49     34.42 o 
 -12   4  12      134.06      170.87     32.01 o 
 -11   4  12      168.64      160.62     32.60 o 
 -10   4  12       72.49       79.29     28.32 o 
  -9   4  12      184.91      181.61     63.81 o 
  -8   4  12       21.25       30.88     22.73 o 
  -7   4  12       32.96       38.83     24.40 o 
  -6   4  12       12.20       53.14     29.34 o 
  -5   4  12        6.00       26.28     24.89 o 
 -22   5  12       54.12       42.63     37.43 o 
 -21   5  12       55.97      115.37     59.44 o 
 -20   5  12      138.36       80.24     42.33 o 
 -19   5  12       57.93       89.94     44.12 o 
 -18   5  12      560.70      598.12     77.66 o 
 -17   5  12        3.85       44.86     33.40 o 
 -16   5  12       95.64      112.93     34.86 o 
 -15   5  12      176.09      180.83     40.10 o 
 -14   5  12      379.81      447.89     57.84 o 
 -13   5  12      452.54      534.18     51.79 o 
 -12   5  12      132.00      110.95     48.18 o 
 -11   5  12      500.89      447.87     55.12 o 
 -10   5  12       60.00       42.68     26.88 o 
  -9   5  12      147.30      125.49     34.33 o 
  -8   5  12       58.19       69.55     27.17 o 
  -7   5  12       50.45       51.16     32.77 o 
  -6   5  12        9.24       11.16     31.76 o 
 -22   6  12       24.68       34.12     40.35 o 
 -21   6  12       20.03        0.62     33.57 o 
 -20   6  12       64.12       71.95     41.00 o 
 -19   6  12       39.65       33.25     29.90 o 
 -18   6  12       30.26       20.38     28.07 o 
 -17   6  12       37.11       63.12     33.09 o 
 -16   6  12       55.19       98.48     35.70 o 
 -15   6  12       47.51       87.28     35.27 o 
 -14   6  12       28.60       10.24     22.90 o 
 -13   6  12      241.26      296.77     77.26 o 
 -12   6  12      100.39       83.63     32.21 o 
 -11   6  12       12.09       14.27     31.07 o 
 -10   6  12       78.23       88.77     33.41 o 
  -9   6  12       15.31       33.90     24.62 o 
  -8   6  12       21.79       49.18     44.49 o 
  -7   6  12        2.47        0.94     28.64 o 
 -23   7  12       60.39       69.77     85.56 o 
 -22   7  12       73.14       29.15     36.88 o 
 -21   7  12       12.30       23.82     34.04 o 
 -20   7  12      294.09      296.22     72.24 o 
 -19   7  12       38.37       65.09     46.11 o 
 -18   7  12       75.70       52.91     34.08 o 
 -17   7  12      109.17      205.13     49.54 o 
 -16   7  12      235.12      219.12     45.62 o 
 -15   7  12      151.05      121.55     30.11 o 
 -14   7  12      179.77      194.68     40.80 o 
 -13   7  12      120.94       59.14     28.15 o 
 -12   7  12       43.32       53.09     29.69 o 
 -11   7  12      119.01       66.43     33.61 o 
 -10   7  12       13.84       38.76     29.98 o 
  -9   7  12       38.99        7.26     26.40 o 
 -23   8  12        3.30       16.51     36.58 o 
 -22   8  12       59.81      163.41     48.24 o 
 -21   8  12       24.54        5.09     32.19 o 
 -20   8  12      160.59      216.08     45.34 o 
 -19   8  12      123.44      104.50     38.71 o 
 -18   8  12       83.35       29.49     30.75 o 
 -17   8  12       74.70       62.99     33.94 o 
 -16   8  12        5.35       16.78     24.18 o 
 -15   8  12       94.36       51.15     32.17 o 
 -14   8  12        9.56        9.41     23.89 o 
 -13   8  12       63.31       39.24     34.79 o 
 -12   8  12        3.31       15.36     31.82 o 
 -11   8  12       18.95        5.32     30.83 o 
 -10   8  12       34.90       43.23     31.14 o 
 -23   9  12       29.67        0.00     35.23 o 
 -22   9  12       22.88       33.08     36.14 o 
 -21   9  12       37.77      110.96     34.84 o 
 -20   9  12      190.61      181.74     61.12 o 
 -19   9  12        1.88       24.05     30.10 o 
 -18   9  12      210.23      200.52     47.03 o 
 -17   9  12       21.19       42.48     26.03 o 
 -16   9  12       58.25       80.68     53.17 o 
 -15   9  12       26.33       16.21     26.43 o 
 -14   9  12       16.45       11.88     29.67 o 
 -13   9  12       60.95       65.09     34.64 o 
 -12   9  12       15.84       18.59     29.16 o 
 -11   9  12        8.20       34.63     30.67 o 
 -23  10  12       64.02       31.95     42.14 o 
 -22  10  12      136.59       96.47     34.70 o 
 -21  10  12       14.87       12.95     31.53 o 
 -20  10  12      119.57       99.55     37.59 o 
 -19  10  12        4.50       12.70     33.06 o 
 -18  10  12      138.40      109.98     31.32 o 
 -17  10  12       98.36      129.68     75.43 o 
 -16  10  12       40.87       53.85     31.76 o 
 -15  10  12       78.87       96.89     36.32 o 
 -14  10  12       22.71        3.56     32.85 o 
 -13  10  12       61.64       34.04     30.83 o 
 -23  11  12       34.23       26.17     34.37 o 
 -22  11  12        2.82       30.80     34.23 o 
 -21  11  12       46.95       48.40     32.83 o 
 -20  11  12       34.78       14.71     33.45 o 
 -19  11  12       35.97       44.91     35.94 o 
 -18  11  12       57.72       47.84     28.80 o 
 -17  11  12       15.13        0.62     29.76 o 
 -16  11  12        3.86       21.69     30.37 o 
 -15  11  12        5.30       45.37     33.80 o 
 -23  12  12      133.62      219.85     84.94 o 
 -22  12  12       61.23       67.05     40.61 o 
 -21  12  12       46.69       13.43     34.77 o 
 -20  12  12       48.14       85.59     35.76 o 
 -19  12  12        0.33       40.54     28.79 o 
 -18  12  12       34.59       61.76     37.15 o 
 -17  12  12       26.92       40.26     30.35 o 
   6 -23  13       50.96       28.03     50.95 o 
   7 -23  13       24.24       23.72     49.17 o 
   8 -23  13       28.45       48.47     62.07 o 
   9 -23  13       66.61       62.28     39.12 o 
  10 -23  13        8.54       22.01     32.63 o 
   4 -22  13       11.24       45.37     43.96 o 
   5 -22  13        2.28       75.23     37.49 o 
   6 -22  13      124.86       42.26     39.71 o 
   7 -22  13        1.18       11.25     35.55 o 
   8 -22  13        4.54        4.59     30.47 o 
   9 -22  13       26.03      131.10     37.97 o 
  10 -22  13      147.64      188.69     41.05 o 
  11 -22  13       54.20       64.23     37.74 o 
   2 -21  13        9.87       53.18     36.88 o 
   3 -21  13        9.83       11.62     35.25 o 
   4 -21  13      144.22      174.35     45.25 o 
   5 -21  13       46.33       84.68     62.14 o 
   6 -21  13       78.31       61.20     30.87 o 
   7 -21  13       93.45      142.77     31.55 o 
   8 -21  13      168.46      153.57     39.52 o 
   9 -21  13       61.70      111.77     38.22 o 
  10 -21  13       57.39       33.28     54.41 o 
  11 -21  13       34.25       43.94     37.04 o 
   0 -20  13        2.29      103.34     36.06 o 
   1 -20  13       60.77      164.17     57.95 o 
   2 -20  13       16.24        9.93     28.97 o 
   3 -20  13       54.06       30.27     31.96 o 
   4 -20  13       34.74       98.01     42.38 o 
   5 -20  13        5.63       22.96     30.14 o 
   6 -20  13       12.19       14.53     25.95 o 
   7 -20  13       28.48       54.59     28.08 o 
   8 -20  13      143.71       80.34     30.49 o 
   9 5       32.77     24.15 o 
  -6 -13  14      162.69      205.06     57.88 o 
  -5 -13  14      387.06      255.13     47.81 o 
  -4 -13  14      537.64      630.68     62.53 o 
  -3 -13  14        9.06       17.36     19.32 o 
  -2 -13  14      436.89      490.06     61.00 o 
  -1 -13  14     1440.61     1427.82    100.00 o 
   0 -13  14      983.43     1007.66     69.86 o 
   1 -13  14       95.83      106.92     28.56 o 
   2 -13  14       30.80       45.96     23.06 o 
   3 -13  14      461.53      497.83     56.86 o 
   4 -13  14       41.33       50.52     25.42 o 
   5 -13  14      279.12      402.17    133.95 o 
   6 -13  14       41.08       19.98     26.20 o 
   7 -13  14       47.13       62.78     33.90 o 
   8 -13  14        7.84       13.56     31.63 o 
 -10 -12  14       23.99       36.11     35.80 o 
  -9 -12  14       11.74       16.08     26.26 o 
  -8 -12  14       10.66       34.09     26.84 o 
  -7 -12  14      182.70      204.00     66.89 o 
  -6 -12  14       28.30       29.28     34.36 o 
  -5 -12  14      354.22      347.11     48.21 o 
  -4 -12  14      123.90      136.93     27.22 o 
  -3 -12  14       60.41       71.77     25.78 o 
  -2 -12  14      133.67      197.39     28.89 o 
  -1 -12  14       63.05       61.15     20.70 o 
   0 -12  14      175.13      147.34     30.38 o 
   1 -12  14        4.00       32.07     22.90 o 
   2 -12  14      141.93      138.29     31.68 o 
   3 -12  14       19.86       21.83     22.08 o 
   4 -12  14      129.08       92.33     40.34 o 
   5 -12  14       10.71       30.13     27.43 o 
   6 -12  14       37.79       24.07     25.00 o 
   7 -12  14        1.83       16.55     32.65 o 
 -11 -11  14      132.80      152.49     32.99 o 
 -10 -11  14       39.04       25.98     24.76 o 
  -9 -11  14      110.98       90.73     49.72 o 
  -8 -11  14       39.53       22.28     25.48 o 
  -7 -11  14      217.94      158.82     40.57 o 
  -6 -11  14      372.19      391.38     74.21 o 
  -5 -11  14      165.10      156.17     28.78 o 
  -4 -11  14      361.02      402.34     43.75 o 
  -3 -11  14      565.20      728.39     63.57 o 
  -2 -11  14     1312.25     1418.79     72.97 o 
  -1 -11  14      473.87      460.13     47.57 o 
   0 -11  14      148.21      162.78     30.14 o 
   1 -11  14       35.66       68.10     26.92 o 
   2 -11  14       23.42       17.97     27.35 o 
   3 -11  14      328.27      465.73     70.63 o 
   4 -11  14       69.35       73.59     32.94 o 
   5 -11  14       70.81      100.00     32.69 o 
   6 -11  14        6.54       28.80     33.78 o 
 -12 -10  14       22.67       34.34     26.63 o 
 -11 -10  14       38.40        7.79     27.85 o 
 -10 -10  14       23.38       30.48     28.30 o 
  -9 -10  14       19.24        5.02     24.28 o 
  -8 -10  14       32.29       42.46     30.00 o 
  -7 -10  14       70.50       50.62     26.93 o 
  -6 -10  14      777.56      766.26     88.89 o 
  -5 -10  14      108.65      102.86     27.90 o 
  -4 -10  14       24.16       24.30     19.86 o 
  -3 -10  14      131.53      180.66     29.54 o 
  -2 -10  14      185.29      209.38     25.73 o 
  -1 -10  14       17.78       21.00     14.40 o 
   0 -10  14      241.08      286.04     38.45 o 
   1 -10  14      156.96      145.63     38.86 o 
   2 -10  14       22.61        5.49     22.13 o 
   3 -10  14       88.09       80.14     34.84 o 
   4 -10  14       41.02       23.99     28.03 o 
   5 -10  14       12.40       35.26     43.13 o 
   6 -10  14        5.66       16.34     35.79 o 
 -13  -9  14       48.16       74.32     28.75 o 
 -12  -9  14        9.57       30.84     34.06 o 
 -11  -9  14      114.19       98.84     32.72 o 
 -10  -9  14       20.68       40.97     25.56 o 
  -9  -9  14      124.70      164.91     37.84 o 
  -8  -9  14      401.81      319.72     48.45 o 
  -7  -9  14     1814.26     1765.75     92.82 o 
  -6  -9  14      278.08      389.51     47.40 o 
  -5  -9  14       68.24       83.29     24.65 o 
  -4  -9  14      476.25      473.87     45.84 o 
  -3  -9  14      279.50      276.81     29.32 o 
  -2  -9  14      438.50      455.25     39.04 o 
  -1  -9  14       53.73       38.70     17.20 o 
   0  -9  14      332.72      368.92     40.37 o 
   1  -9  14       51.52       45.32     28.32 o 
   2  -9  14      111.94      153.25     37.14 o 
   3  -9  14      178.21      221.53     46.96 o 
   4  -9  14       57.96       41.03     32.09 o 
   5  -9  14       24.24       34.59     35.44 o 
 -14  -8  14        3.54       16.99     29.10 o 
 -13  -8  14      101.61      122.29     35.42 o 
 -12  -8  14       11.94       30.05     24.77 o 
 -11  -8  14       46.42       32.98     23.33 o 
 -10  -8  14       31.36       27.19     25.75 o 
  -9  -8  14      413.14      311.32     47.58 o 
  -8  -8  14      266.51      222.23     49.13 o 
  -7  -8  14      103.54      127.46     29.01 o 
  -6  -8  14      195.61      165.95     31.37 o 
  -5  -8  14       26.51       49.49     20.89 o 
  -4  -8  14      424.33      404.77     35.18 o 
  -3  -8  14       94.94      121.56     22.53 o 
  -2  -8  14      339.50      336.84     33.90 o 
  -1  -8  14      172.96      148.84     27.41 o 
   0  -8  14        5.50       46.43     23.21 o 
   1  -8  14      275.39      285.24     57.89 o 
   2  -8  14        0.89        1.61     26.04 o 
   3  -8  14       25.70       39.35     33.72 o 
   4  -8  14        2.37       59.00     35.27 o 
 -15  -7  14        2.39       42.79     32.89 o 
 -14  -7  14       40.63       37.12     29.80 o 
 -13  -7  14       35.38        9.56     22.60 o 
 -12  -7  14      204.26      219.10     37.45 o 
 -11  -7  14      234.88      226.41     42.15 o 
 -10  -7  14       67.45       35.40     27.56 o 
  -9  -7  14     1758.54     1796.54    112.15 o 
  -8  -7  14      110.32       84.39     25.36 o 
  -7  -7  14       28.41       50.39     23.49 o 
  -6  -7  14       52.72       56.09     29.34 o 
  -5  -7  14      174.86      175.83     31.26 o 
  -4  -7  14      110.46       88.16     20.97 o 
  -3  -7  14      189.71      206.13     27.46 o 
  -2  -7  14      396.80      401.86     44.00 o 
  -1  -7  14      104.40      113.23     26.56 o 
   0  -7  14      340.44      384.96     44.59 o 
   1  -7  14      108.22       94.71     28.23 o 
   2  -7  14      117.19      122.22     65.63 o 
   3  -7  14       22.15       70.24     75.51 o 
 -16  -6  14       18.76       33.09     31.03 o 
 -15  -6  14       55.71       52.07     40.46 o 
 -14  -6  14      127.20       89.22     30.35 o 
 -13  -6  14      176.23      156.61     36.28 o 
 -12  -6  14       35.14       32.72     23.95 o 
 -11  -6  14      351.34      354.77     50.73 o 
 -10  -6  14      751.78      702.80     69.71 o 
  -9  -6  14      273.77      316.56     38.18 o 
  -8  -6  14      211.18      165.93     31.61 o 
  -7  -6  14       60.56       53.64     22.34 o 
  -6  -6  14      986.48      958.28     66.13 o 
  -5  -6  14      445.82      419.49     45.80 o 
  -4  -6  14      267.31      248.20     30.25 o 
  -3  -6  14       23.80       54.02     22.15 o 
  -2  -6  14      219.06      214.46     40.89 o 
  -1  -6  14      159.42      132.81     29.24 o 
   0  -6  14        2.20        8.57     19.05 o 
   1  -6  14       79.83       96.88     25.16 o 
   2  -6  14       22.07       50.44     33.17 o 
   3  -6  14       18.30       96.37     80.13 o 
 -17  -5  14        3.58       14.24     31.88 o 
 -16  -5  14       48.30       95.02     33.10 o 
 -15  -5  14        1.65       21.60     24.67 o 
 -14  -5  14      259.50      192.54     40.42 o 
 -13  -5  14      398.28      384.90     52.10 o 
 -12  -5  14      344.72      336.93     51.77 o 
 -11  -5  14      170.37      161.49     37.99 o 
 -10  -5  14      113.29      121.01     28.56 o 
  -9  -5  14       75.63       79.28     25.92 o 
  -8  -5  14       19.50       33.34     21.27 o 
  -7  -5  14      161.21      116.83     26.80 o 
  -6  -5  14      427.96      364.13     43.50 o 
  -5  -5  14      281.08      257.48     30.04 o 
  -4  -5  14       59.31       64.91     23.43 o 
  -3  -5  14      166.27      169.67     30.02 o 
  -2  -5  14      250.40      246.51     37.23 o 
  -1  -5  14       24.71        6.00     19.60 o 
   0  -5  14       25.81       29.15     22.20 o 
   1  -5  14       14.13       35.85     26.86 o 
   2  -5  14       21.08      100.78    142.87 o 
 -17  -4  14        6.26       37.05     41.63 o 
 -16  -4  14       95.36       71.67     28.43 o 
 -15  -4  14      175.81      165.64     36.02 o 
 -14  -4  14       78.28       57.66     29.06 o 
 -13  -4  14      540.86      595.78     65.31 o 
 -12  -4  14      107.48       97.45     35.31 o 
 -11  -4  14      333.34      303.47     39.63 o 
 -10  -4  14       20.65       26.29     20.71 o 
  -9  -4  14      442.75      401.20     43.22 o 
  -8  -4  14      439.65      390.47     39.36 o 
  -7  -4  14      106.01      115.66     21.03 o 
  -6  -4  14      262.34      198.53     28.54 o 
  -5  -4  14       45.08       77.83     23.89 o 
  -4  -4  14      321.78      370.42     42.60 o 
  -3  -4  14       54.63       89.10     26.92 o 
  -2  -4  14      163.31      153.19     31.79 o 
  -1  -4  14       42.86       82.23     30.17 o 
   0  -4  14       23.33        9.53     26.14 o 
   1  -4  14       22.39        0.62     27.06 o 
 -18  -3  14       18.67       34.47     25.33 o 
 -17  -3  14       26.79       19.30     27.31 o 
 -16  -3  14       87.26      110.29     33.35 o 
 -15  -3  14        4.27       11.82     22.47 o 
 -14  -3  14      198.40      139.28     36.27 o 
 -13  -3  14        9.17       18.64     25.95 o 
 -12  -3  14       61.95       57.50     21.91 o 
 -11  -3  14      560.95      622.54     53.84 o 
 -10  -3  14      128.67      126.31     30.52 o 
  -9  -3  14      272.52      262.67     33.90 o 
  -8  -3  14       92.44       76.69     18.15 o 
  -7  -3  14      188.48      168.51     26.20 o 
  -6  -3  14       26.94       30.47     21.23 o 
  -5  -3  14      170.02      186.68     40.03 o 
  -4  -3  14       58.74       39.10     21.38 o 
  -3  -3  14        4.16       24.83     23.66 o 
  -2  -3  14       22.80       22.83     26.72 o 
  -1  -3  14        4.89        6.94     26.16 o 
   0  -3  14        0.30       14.17     29.38 o 
 -19  -2  14        7.82       40.58     31.76 o 
 -18  -2  14       97.38       88.86     29.02 o 
 -17  -2  14       33.42       52.38     37.82 o 
 -16  -2  14      359.00      328.50     48.06 o 
 -15  -2  14      257.04      246.20     42.87 o 
 -14  -2  14      221.46      177.42     41.96 o 
 -13  -2  14      431.83      366.72     41.15 o 
 -12  -2  14      120.63      153.11     31.13 o 
 -11  -2  14     1302.28     1263.60     98.30 o 
 -10  -2  14      190.90      185.40     30.96 o 
  -9  -2  14      464.58      437.68     42.35 o 
  -8  -2  14      349.14      377.89     32.89 o 
  -7  -2  14      427.70      404.26     43.67 o 
  -6  -2  14      216.82      226.09     34.12 o 
  -5  -2  14      244.96      300.80     40.29 o 
  -4  -2  14      173.98      165.14     43.37 o 
  -3  -2  14       20.58       33.41     28.03 o 
  -2  -2  14       12.69       32.70     26.43 o 
  -1  -2  14        4.11       20.67     28.55 o 
 -19  -1  14        5.07       38.24     30.66 o 
 -18  -1  14       60.25       59.06     35.44 o 
 -17  -1  14       19.84       59.52     32.90 o 
 -16  -1  14       44.75       58.19     28.71 o 
 -15  -1  14       15.73       44.21     28.31 o 
 -14  -1  14       67.61       76.30     23.34 o 
 -13  -1  14     1457.44     1631.56     99.86 o 
 -12  -1  14       62.76       73.38     27.04 o 
 -11  -1  14      470.95      487.27     45.62 o 
 -10  -1  14       16.22       20.08     19.31 o 
  -9  -1  14       46.48       32.06     17.34 o 
  -8  -1  14      165.50      135.00     27.22 o 
  -7  -1  14      100.48      109.56     30.56 o 
  -6  -1  14      162.57      193.02     36.43 o 
  -5  -1  14       29.21       27.83     26.24 o 
  -4  -1  14       39.51       70.90     33.97 o 
  -3  -1  14        4.54        9.13     27.05 o 
  -2  -1  14        4.09       21.24     28.53 o 
 -20   0  14       34.08       66.04     34.42 o 
 -19   0  14       69.42      107.55     69.66 o 
 -18   0  14      300.95      340.25     61.31 o 
 -17   0  14       67.70       30.67     35.14 o 
 -16   0  14      181.03      205.38     52.09 o 
 -15   0  14      132.52      116.28     44.13 o 
 -14   0  14      585.09      629.38     58.54 o 
 -13   0  14      997.36      987.91     68.76 o 
 -12   0  14      178.50      149.67     31.29 o 
 -11   0  14      151.57      195.11     33.88 o 
 -10   0  14      225.43      253.04     35.60 o 
  -9   0  14      340.24      331.54     35.01 o 
  -8   0  14        6.78       30.42     23.27 o 
  -7   0  14      335.12      335.83     42.90 o 
  -6   0  14        2.97        0.84     23.30 o 
  -5   0  14       25.73       29.82     26.33 o 
  -4   0  14       20.59       41.26     40.79 o 
  -3   0  14        0.44        5.43     26.35 o 
 -21   1  14        7.32       32.91     34.15 o 
 -20   1  14       96.75       48.98     34.10 o 
 -19   1  14       21.48       64.72     71.79 o 
 -18   1  14      217.73      176.35     52.43 o 
 -17   1  14      139.69       95.02     41.42 o 
 -16   1  14       87.93       70.01     40.71 o 
 -15   1  14      313.84      372.74     44.14 o 
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<)"6-6!2-(34   '#"71   2$;'3                                                       '"'$2 -03+-!7 -0>*)%41?/.00
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18(?<!&6-554  11')82   2&8.0                                                      12#"#8 -=3.  2 -02+&"61?/.00
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15591=(2 $&6  131*"1   3)1'2                                                      138!'4 -=3. !2 -02+&%61?/.00
<!:4-8)215(6  17!"!7   4!;&9                                                      18#+$6 -=3.#!2 -02+'%61?/.00
14(6< :4 >)2  18&+(1   3&2*8                                                      18 6#1 -=3," 1  02*-"61?/.00
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< &2 >);1494  20/$.9   4!;!8                                                      20&5)0 -=3,"!2  0?*-%61?/.00
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1% 512;7 .&1   %%3#1   1%< 0                                                       %&6%4 -03*. 8 -03.,,01?/.00
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<(&<1# 8-2;7   "&1!7   2'6.6                                                       "#0$6 -03*. 9 -03.,,1  1.0000
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  -3  17 -14     140     190                                                         145    0.82   -0.10  1.0000
  -3  17 -14     374     227                                                         384    0.82   -0.10  1.0000
  17 -14  -3       2     210                                                        -112    0.82   -0.10  1.0000
   1 -16  15     536     218                                                         476    0.83   -0.01  1.0000
  15   1 -16     269     195                                                         227    0.83   -0.01  1.0000
  15   1 -16     684     292                                                         616    0.83   -0.01  1.0000
 -16  15   1     485     266                                                         428    0.84   -0.01  1.0000
 -15  -1  16    1037     368                                                         951    0.83    0.01  1.0000
  -1  16 -15     428     224                                                         373    0.83    0.01  1.0000
  16 -15  -1     424     324                                                         369    0.84    0.01  1.0000
  -1  16 -15     742     210                                                         669    0.83    0.01  1.0000
  16  -1 -15     361     197                                                         336    0.46    0.13  1.0000
 -15  16  -1     249     245                                                         228    0.46    0.13  1.0000
  16  -1 -15     362     260                                                         337    0.46    0.13  1.0000
  -1 -15  16     488     233                                                         459    0.46    0.13  1.0000
  15 -16   1     303     142                                                         281    0.46   -0.13  1.0000
 -16   1  15     950     300                                                         911    0.46   -0.86.66     21.58 o 
   5 -13   6      439.70      466.03     49.32 o 
  -5 -12   6       11.79       34.77     32.56 o 
  -4 -12   6       11.99        6.48     30.82 o 
  -3 -12   6      232.04      275.86     44.37 o 
  -2 -12   6       12.48       50.39     18.90 o 
  -1 -12   6      264.82      270.74     36.59 o 
   0 -12   6      635.13      645.20     52.99 o 
   1 -12   6      590.52      680.79     77.54 o 
   2 -12   6      966.20     1100.19     61.99 o 
   3 -12   6      150.72      126.79     24.20 o 
   4 -12   6      997.28     1080.99     71.86 o 
   5 -12   6       16.31       21.25     20.96 o 
  -6 -11   6       24.84       29.83     30.29 o 
  -5 -11   6        6.46       40.81     28.97 o 
  -4 -11   6       40.14       31.46     26.51 o 
  -3 -11   6      219.01      192.76     36.40 o 
  -2 -11   6      132.41      170.23     26.88 o 
  -1 -11   6       76.09       89.49     28.22 o 
   0 -11   6      154.89      199.15     32.89 o 
   1 -11   6      672.61      672.86     48.39 o 
   2 -11   6       63.71      112.77     21.18 o 
   3 -11   6      769.55      794.04     61.27 o 
   4 -11   6      512.29      554.62     49.96 o 
   5 -11   6       69.56      101.05     23.35 o 
  -7 -10   6        1.40       15.72     30.03 o 
  -6 -10   6       30.72        7.73     28.11 o 
  -5 -10   6      133.44      178.04     35.47 o 
  -4 -10   6       20.22        4.97     18.05 o 
  -3 -10   6      406.59      459.80     45.27 o 
  -2 -10   6       49.91       64.25     22.97 o 
  -1 -10   6      169.46      210.67     33.61 o 
   0 -10   6      332.79      293.77     35.90 o 
   1 -10   6      887.97      898.22     49.42 o 
   2 -10   6      702.70      679.97     53.08 o 
   3 -10   6     1780.89     1761.70     75.64 o 
   4 -10   6     1889.68     1958.42     75.22 o 
   5 -10   6      400.35      397.99     38.21 o 
  -8  -9   6        8.65       20.25     26.80 o 
  -7  -9   6       11.78        6.99     25.68 o 
  -6  -9   6       37.96       43.39     27.90 o 
  -5  -9   6       21.09       39.18     21.27 o 
  -4  -9   6       40.23       19.36     21.08 o 
  -3  -9   6      556.55      513.55     54.22 o 
  -2  -9   6      236.34      254.63     35.68 o 
  -1  -9   6       75.95       60.90     20.99 o 
   0  -9   6     1180.95     1171.33     63.37 o 
   1  -9   6     1174.68     1148.14     65.41 o 
   2  -9   6      249.16      259.92     30.31 o 
   3  -9   6     1105.09     1202.47     61.44 o 
   4  -9   6     1011.84     1028.55     58.94 o 
   5  -9   6      450.97      565.66     45.27 o 
  -9  -8   6       10.90       17.50     28.36 o 
  -8  -8   6        3.62       12.49     25.98 o 
  -7  -8   6       12.95       26.80     24.66 o 
  -6  -8   6      273.70      260.08     41.85 o 
  -5  -8   6      386.49      441.33     50.61 o 
  -4  -8   6      941.37      884.93     69.58 o 
  -3  -8   6      477.45      419.99     56.93 o 
  -2  -8   6       61.89       83.46     22.60 o 
  -1  -8   6     2104.94     2060.28     78.58 o 
   0  -8   6     1144.85     1211.65     51.81 o 
   1  -8   6     3610.72     3778.41     95.07 o 
   2  -8   6      866.47      999.30     54.13 o 
   3  -8   6      404.29      364.51     34.52 o 
   4  -8   6      386.04      462.79     38.74 o 
   5  -8   6      461.99      471.87     32.03 o 
 -10  -7   6        1.24       14.19     28.94 o 
  -9  -7   6       11.01        4.14     28.15 o 
  -8  -7   6       11.71       36.88     25.23 o 
  -7  -7   6      274.31      351.05     66.35 o 
  -6  -7   6       56.90       67.00     25.96 o 
  -5  -7   6     1205.80     1222.23     80.87 o 
  -4  -7   6      259.56      273.97     36.38 o 
  -3  -7   6     1686.33     1553.66     86.03 o 
  -2  -7   6     1542.01     1520.31     64.71 o 
  -1  -7   6      155.60      172.90     24.32 o 
   0  -7   6      707.95      696.74     34.05 o 
   1  -7   6     1195.40     1206.62     41.76 o 
   2  -7   6     1095.19     1092.71     52.68 o 
   3  -7   6     1077.42     1143.42     66.48 o 
   4  -7   6      231.45      194.45     22.37 o 
   5  -7   6      622.58      623.62     41.94 o 
 -11  -6   6       23.65       17.24     26.89 o 
 -10  -6   6       29.99       30.44     28.94 o 
  -9  -6   6       37.72       58.46     26.22 o 
  -8  -6   6      270.69      281.89     42.60 o 
  -7  -6   6       54.00       48.48     25.75 o 
  -6  -6   6     1683.09     1685.14     73.78 o 
  -5  -6   6      436.80      427.06     50.70 o 
  -4  -6   6       92.35       56.60     21.05 o 
  -3  -6   6     2333.76     2077.55     91.98 o 
  -2  -6   6      181.92      227.44     23.29 o 
  -1  -6   6     2691.31     2890.22     75.18 o 
   0  -6   6      226.25      221.11     18.12 o 
   1  -6   6     2513.38     2726.18     74.57 o 
   2  -6   6      126.78      181.50     20.59 o 
   3  -6   6     2208.69     2048.31     62.25 o 
   4  -6   6       92.19       84.52     17.66 o 
   5  -6   6      427.98      371.71     31.06 o 
 -12  -5   6        9.85       19.59     27.12 o 
 -11  -5   6        4.82       30.62     23.52 o 
 -10  -5   6      124.22      171.57     38.09 o 
  -9  -5   6       17.90        4.55     20.71 o 
  -8  -5   6      411.75      387.63     49.11 o 
  -7  -5   6     1276.02     1299.93     74.92 o 
  -6  -5   6      416.90      417.78     42.07 o 
  -5  -5   6      439.92      471.78     42.37 o 
  -4  -5   6       80.99       83.93     19.94 o 
  -3  -5   6     1046.42     1070.91     40.14 o 
  -2  -5   6       93.00      110.93     17.29 o 
  -1  -5   6     3465.46     3424.13    108.13 o 
   0  -5   6     2563.43     2678.90     69.73 o 
   1  -5   6     1213.33     1255.34     42.42 o 
   2  -5   6     1289.18     1173.29     45.20 o 
   3  -5   6      349.77      328.25     28.81 o 
   4  -5   6     4308.08     4161.62    100.82 o 
   5  -5   6       52.39       83.87     18.33 o 
 -13  -4   6        1.81       35.16     27.37 o 
 -12  -4   6       12.64       47.01     26.49 o 
 -11  -4   6       36.95       45.45     26.13 o 
 -10  -4   6       19.98       67.38     25.90 o 
  -9  -4   6       35.93       31.96     19.84 o 
  -8  -4   6      970.76      989.05     63.51 o 
  -7  -4   6      247.97      256.02     31.24 o 
  -6  -4   6       88.64       76.05     19.78 o 
  -5  -4   6       73.63       49.73     18.25 o 
  -4  -4   6      921.15      924.98     50.18 o 
  -3  -4   6      748.89      870.81     42.36 o 
  -2  -4   6       91.79       94.48     13.79 o 
  -1  -4   6     3693.38     3889.12     90.26 o 
   0  -4   6     2194.26     2329.82     63.42 o 
   1  -4   6     1743.85     1691.52     59.89 o 
   2  -4   6      138.48       67.66     18.05 o 
   3  -4   6      650.36      592.02     41.61 o 
   4  -4   6      797.29      715.08     52.77 o 
   5  -4   6       40.25       37.90     21.33 o 
 -14  -3   6       21.33       19.03     33.98 o 
 -13  -3   6       20.01       36.39     31.96 o 
 -12  -3   6      232.31      269.44     43.56 o 
 -11  -3   6      209.92      180.24     32.75 o 
 -10  -3   6      411.14      520.78     54.45 o 
  -9  -3   6      546.11      550.43     48.81 o 
  -8  -3   6      505.51      480.90     41.67 o 
  -7  -3   6     1665.18     1607.77     64.13 o 
  -6  -3   6     2295.13     2127.55     86.25 o 
  -5  -3   6     1070.91     1076.84     54.19 o 
  -4  -3   6      762.19      810.31     40.42 o 
  -3  -3   6       82.93      114.63     17.80 o 
  -2  -3   6       22.96        5.92     10.96 o 
  -1  -3   6     7130.63     7139.05    151.36 o 
   0  -3   6      909.16      828.66     41.78 o 
   1  -3   6     3333.90     3101.03     86.09 o 
   2  -3   6     1536.69     1586.11     59.66 o 
   3  -3   6      142.91      183.04     29.28 o 
   4  -3   6      660.68      644.53     54.10 o 
   5  -3   6       30.31       38.24     21.44 o 
 -14  -2   6       20.27       20.43     27.33 o 
 -13  -2   6       11.11       12.38     22.04 o 
 -12  -2   6       12.08       15.69     22.65 o 
 -11  -2   6      130.52       72.12     24.23 o 
 -10  -2   6       43.07       62.63     23.82 o 
  -9  -2   6      258.16      231.58     30.68 o 
  -8  -2   6       60.42       92.78     21.56 o 
  -7  -2   6     1522.86     1460.12     57.11 o 
  -6  -2   6      163.83      228.09     31.13 o 
  -5  -2   6       92.53       95.25     17.45 o 
  -4  -2   6       97.28       95.51     17.45 o 
  -3  -2   6       23.97       13.97     10.84 o 
  -2  -2   6     2614.01     2692.06     68.77 o 
  -1  -2   6     1226.79     1165.05     41.52 o 
   0  -2   6      896.38      892.30     38.78 o 
   1  -2   6       58.36       47.19     13.70 o 
   2  -2   6      576.51      628.28     40.41 o 
   3  -2   6       41.09       34.14     18.94 o 
   4  -2   6      211.27      248.76     36.20 o 
   5  -2   6       37.80       73.74     25.17 o 
 -15  -1   6      103.38      178.27     57.30 o 
 -14  -1   6       76.65       56.38     24.08 o 
 -13  -1   6      194.26      208.71     39.07 o 
 -12  -1   6      278.96      293.55     38.34 o 
 -11  -1   6       72.51       51.88     23.71 o 
 -10  -1   6      168.23      171.69     28.52 o 
  -9  -1   6       62.24       50.80     19.70 o 
  -8  -1   6     2085.17     2105.29     70.85 o 
  -7  -1   6      157.64      136.74     28.61 o 
  -6  -1   6     2690.42     2858.45     79.81 o 
  -5  -1   6     3460.67     3489.60     90.36 o 
  -4  -1   6     3679.88     3807.70     88.89 o 
  -3  -1   6     7009.72     6975.20    170.19 o 
  -2  -1   6     1214.60     1126.93     40.96 o 
  -1  -1   6     4627.61     4303.55    101.99 o 
   0  -1   6      520.94      550.11     35.68 o 
   1  -1   6      450.13      445.33     34.92 o 
   2  -1   6      204.89      233.66     28.95 o 
   3  -1   6      445.10      464.78     48.64 o 
   4  -1   6      218.81      236.04     37.74 o 
   5  -1   6       67.59      115.65     32.06 o 
 -16   0   6       23.52       17.91     31.54 o 
 -15   0   6        5.05       33.98     24.26 o 
 -14   0   6        4.51       10.85     17.85 o 
 -13   0   6       82.12       86.69     24.04 o 
 -12   0   6      590.21      599.26     53.43 o 
 -11   0   6      146.97      193.55     31.80 o 
 -10   0   6      366.94      373.66     37.77 o 
  -9   0   6     1161.86     1170.15     55.95 o 
  -8   0   6     1133.45     1104.17     51.52 o 
  -7   0   6      684.73      650.48     37.51 o 
  -6   0   6      226.98      180.86     20.95 o 
  -5   0   6     2538.85     2585.08     79.08 o 
  -4   0   6     2230.31     2325.04     57.46 o 
  -3   0   6      917.61      817.87     30.93 o 
  -2   0   6      905.14      891.93     39.34 o 
  -1   0   6      500.27      533.52     35.94 o 
   0   0   6      293.87      317.32     30.36 o 
   1   0   6      124.49       92.11     20.05 o 
   2   0   6      368.59      397.71     36.73 o 
   3   0   6       17.56       28.52     20.60 o 
   4   0   6       38.45       66.31     23.03 o 
   5   0   6       30.85       76.61     23.88 o 
 -17   1   6       16.16       41.13     37.89 o 
 -16   1   6       31.48       53.84     32.54 o 
 -15   1   6       97.99       76.75     26.42 o 
 -14   1   6      154.58      171.65     31.22 o 
 -13   1   6      643.83      649.02     54.52 o 
 -12   1   6      572.93      734.91     55.98 o 
 -11   1   6      660.31      602.46     47.68 o 
 -10   1   6      884.55      880.17     42.85 o 
  -9   1   6     1133.93     1112.71     45.17 o 
  -8   1   6     3475.98     3900.51    105.88 o 
  -7   1   6     1221.85     1335.47     53.51 o 
  -6   1   6     2511.35     2635.09     68.73 o 
  -5   1   6     1165.03     1177.41     35.78 o 
  -4   1   6     1744.17     1662.59     43.34 o 
  -3   1   6     3240.47     3149.43     71.77 o 
  -2   1   6       54.28       46.04     15.80 o 
  -1   1   6      466.27      457.22     35.80 o 
   0   1   6      118.94      101.52     21.78 o 
   1   1   6      340.67      366.66     37.04 o 
   2   1   6       23.87       26.65     20.97 o 
   3   1   6       57.63       63.34     21.91 o 
   4   1   6       97.77      112.68     31.26 o 
   5   1   6        7.92        7.46     25.70 o 
 -17   2   6       19.31       26.95     28.68 o 
 -16   2   6        0.23       14.09     20.48 o 
 -15   2   6      120.19       82.65     25.10 o 
 -14   2   6      228.12      233.20     34.99 o 
 -13   2   6      128.49      135.81     28.79 o 
 -12   2   6      971.60     1038.13     53.22 o 
 -11   2   6       61.43       81.73     19.29 o 
 -10   2   6      665.58      663.95     39.43 o 
  -9   2   6      230.04      216.66     22.33 o 
  -8   2   6      853.59      973.81     41.70 o 
  -7   2   6     1141.34     1118.34     40.70 o 
  -6   2   6      143.06      184.26     20.23 o 
  -5   2   6     1240.30     1122.59     36.77 o 
  -4   2   6      139.64       98.37     16.01 o 
  -3   2   6     1532.42     1594.44     56.94 o 
  -2   2   6      560.48      519.93     37.31 o 
  -1   2   6      196.09      231.71     27.71 o 
   0   2   6      374.36      397.01     38.40 o 
   1   2   6       24.76       52.03     20.27 o 
   2   2   6       71.93       39.87     28.31 o 
   3   2   6        5.13        9.58     22.63 o 
   4   2   6        3.17        0.31     25.97 o 
 -18   3   6       17.74       33.14     37.10 o 
 -17   3   6       28.54       24.75     20.60 o 
 -16   3   6        1.89       19.08     20.79 o 
 -15   3   6      368.09      307.65     40.37 o 
 -14   3   6       22.87       25.55     19.80 o 
 -13   3   6      171.87      131.85     24.63 o 
 -12   3   6      154.71      162.83     23.08 o 
 -11   3   6      787.07      712.54     43.32 o 
 -10   3   6     1841.53     1754.62     57.67 o 
  -9   3   6     1129.58     1225.37     47.74 o 
  -8   3   6      425.53      444.04     30.05 o 
  -7   3   6     1079.52     1166.64     44.69 o 
  -6   3   6     2247.93     2233.96     61.11 o 
  -5   3   6      334.18      309.76     28.27 o 
  -4   3   6      637.81      527.71     31.98 o 
  -3   3   6      156.45      187.17     24.69 o 
  -2   3   6       35.08       40.14     15.49 o 
  -1   3   6      418.02      429.84     39.38 o 
   0   3   6       18.20       46.37     21.03 o 
   1   3   6       61.72      103.40     29.68 o 
   2   3   6        5.70        1.59     20.68 o 
   3   3   6        6.10       26.21     39.44 o 
 -19   4   6       24.02       33.81     38.15 o 
 -18   4   6        9.19       51.07     31.14 o 
 -17   4   6      164.45      168.44     39.03 o 
 -16   4   6      180.79      141.58     28.35 o 
 -15   4   6      330.60      316.43     38.27 o 
 -14   4   6      262.71      271.69     30.30 o 
 -13   4   6      104.05       97.40     19.65 o 
 -12   4   6     1038.26     1103.35     51.25 o 
 -11   4   6      529.07      562.25     44.33 o 
 -10   4   6     1927.95     2053.28     83.82 o 
  -9   4   6      995.12     1071.00     60.57 o 
  -8   4   6      369.46      427.64     30.76 o 
  -7   4   6      209.15      234.06     30.49 o 
  -6   4   6       96.96       90.26     21.86 o 
  -5   4   6     4298.92     4288.45    110.74 o 
  -4   4   6      759.53      758.76     55.46 o 
  -3   4   6      652.82      643.73     54.02 o 
  -2   4   6      205.43      216.40     34.94 o 
  -1   4   6      227.39      248.90     36.60 o 
   0   4   6       39.59       45.14     22.78 o 
   1   4   6       99.67      106.21     31.43 o 
   2   4   6        2.74       20.14     28.59 o 
 -19   5   6       10.02       33.21     32.95 o 
 -18   5   6       22.65       44.61     24.40 o 
 -17   5   6      183.20      167.27     35.74 o 
 -16   5   6       15.35        9.10     21.80 o 
 -15   5   6      105.67       98.57     21.38 o 
 -14   5   6      434.26      373.88     35.26 o 
 -13   5   6      415.83      459.38     44.55 o 
 -12   5   6       12.23       18.85     18.53 o 
 -11   5   6       70.46       48.49     22.47 o 
 -10   5   6      389.09      362.39     37.33 o 
  -9   5   6      472.11      617.84     47.25 o 
  -8   5   6      465.89      505.75     41.98 o 
  -7   5   6      637.91      616.14     41.95 o 
  -6   5   6      445.75      406.73     34.84 o 
  -5   5   6       56.45       90.92     19.94 o 
  -4   5   6       30.67       17.96     19.21 o 
  -3   5   6       30.49       14.05     21.61 o 
  -2   5   6       47.29       52.26     23.91 o 
  -1   5   6       63.70       46.78     23.72 o 
   0   5   6   .15  1.0000
   3 -18  15     201     160                                                         179    0.59   -0.10  1.0000
  15   3 -18     317     243                                                         289    0.60   -0.10  1.0000
 -18  15   3     280     248                                                         253    0.60   -0.10  1.0000
  15   3 -18     601     267                                                         562    0.60   -0.10  1.0000
  -3  18 -15       1     175                                                         -94    0.59    0.10  1.0000
 -15  -3  18     360     210                                                         330    0.60    0.10  1.0000
  -3  18 -15     382     192                                                         352    0.59    0.10  1.0000
  18 -15  -3       1     199                                                        -317    0.60    0.10  1.0000
  16   1 -17     103     170                                                          91    0.91   -0.04  1.0000
  16   1 -17     281     187                                                         262    0.91   -0.04  1.0000
   1 -17  16     179     178                                                         164    0.91   -0.04  1.0000
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2=1919>6-<31  231;&4   #%3$3                                                      20>?,4  03(,$4  =>(.#71?/.00
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2014-<>;1931  2?0?!2   "$4/7                                                      2079/1  03($$4  0>-,#71?/.00
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19<2 2282<92   658*2   2&4*9                                                       '17!8  03&-$6 -03))&21?/.00
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19>>2<24 2=2  10->!8   2 6%9                                                      -+;9 3  00)-/7 -03&)$81?/.00
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-?87 311 035  ('76&6   5'=/5                                                      ) 42 0  3>,*$3 -02*/&71?/.00
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   1 -21  19       20.55       95.43     45.74 o 
   2 -21  19        2.13       48.60     36.93 o 
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   0 -20  19       52.18       77.09     36.32 o 
   1 -20  19      129.69      159.47     35.30 o 
   2 -20  19       43.35       44.36     31.62 o 
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   1 -13  19       45.64       49.37     35.02 o 
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   0 -12  19       17.02       11.87     32.63 o 
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  -9 -11  19      174.71      181.35     45.53 o 
  -8 -11  19       86.78       73.90     38.36 o 
  -7 -11  19      121.52      149.19     38.06 o 
  -6 -11  19      428.79      363.10     52.88 o 
  -5 -11  19        2.07       39.63     32.95 o 
  -4 -11  19       77.46       90.79     33.19 o 
  -3 -11  19       22.06        9.15     28.29 o 
  -2 -11  19       61.07      113.82     40.70 o 
  -1 -11  19       19.14        7.28     30.81 o 
   0 -11  19        7.37       52.75     32.85 o 
 -14 -10  19       10.57       46.88     28.63 o 
 -13 -10  19       53.68       50.85     30.23 o 
 -12 -10  19        6.33       62.44     36.39 o 
 -11 -10  19       59.60       73.16     50.82 o 
 -10 -10  19      242.58      248.34     50.40 o 
  -9 -10  19       23.59       39.80     29.69 o 
  -8 -10  19       59.31       75.00     30.35 o 
  -7 -10  19      136.68      168.11     46.00 o 
  -6 -10  19       31.58       45.27     29.09 o 
  -5 -10  19       48.74       35.91     35.48 o 
  -4 -10  19       27.19       35.76     34.23 o 
  -3 -10  19        1.10       37.88     33.04 o 
  -2 -10  19       11.06       69.85     34.03 o 
  -1 -10  19       55.03       40.61     35.47 o 
 -15  -9  19        7.21       54.30     30.00 o 
 -14  -9  19       10.58       32.28     28.49 o 
 -13  -9  19      253.07      267.27     48.01 o 
 -12  -9  19        1.19       43.17     30.06 o 
 -11  -9  19      185.23      318.64     53.58 o 
 -10  -9  19       27.87       49.68     31.92 o 
  -9  -9  19      208.88      245.91     40.95 o 
  -8  -9  19      234.17      286.45     61.61 o 
  -7  -9  19       71.38       56.20     26.67 o 
  -6  -9  19       78.72       88.96     60.27 o 
  -5  -9  19       23.35       44.68     29.16 o 
  -4  -9  19       24.72       18.44     27.94 o 
  -3  -9  19        3.14        8.06     28.58 o 
  -2  -9  19       20.62       76.29     41.39 o 
 -16  -8  19      106.04       68.85     32.36 o 
 -15  -8  19       36.78       43.32     27.46 o 
 -14  -8  19       25.08       18.20     26.97 o 
 -13  -8  19      318.56      331.25     53.27 o 
 -12  -8  19      136.24      160.33     38.00 o 
 -11  -8  19       86.70      110.81     38.94 o 
 -10  -8  19       57.55       65.67     27.27 o 
  -9  -8  19      223.42      229.80     38.99 o 
  -8  -8  19      285.66      192.76     36.24 o 
  -7  -8  19        9.08       23.08     24.05 o 
  -6  -8  19      104.44       63.53     25.79 o 
  -5  -8  19       38.42       25.94     30.06 o 
  -4  -8  19      110.14      141.12     38.55 o 
  -3  -8  19        4.05       28.11     33.10 o 
  -2  -8  19        9.04        0.00     31.98 o 
 -17  -7  19        2.13        0.31     37.29 o 
 -16  -7  19       75.02      103.02     30.56 o 
 -15  -7  19       69.89       48.53     30.49 o 
 -14  -7  19       80.92       67.38     35.28 o 
 -13  -7  19       45.63       28.01     28.67 o 
 -12  -7  19       44.72       71.26     32.12 o 
 -11  -7  19      125.48      120.79     25.08 o 
 -10  -7  19      126.51      159.57     32.10 o 
  -9  -7  19       70.71       68.35     28.08 o 
  -8  -7  19        9.79       23.45     26.28 o 
  -7  -7  19       51.21       48.30     27.18 o 
  -6  -7  19       14.18       25.89     22.14 o 
  -5  -7  19       88.95      117.88     70.04 o 
  -4  -7  19       26.54       42.91     45.67 o 
  -3  -7  19        5.97       33.24     40.34 o 
 -17  -6  19       21.48       12.62     27.98 o 
 -16  -6  19        4.47        9.95     30.43 o 
 -15  -6  19      143.15       66.45     35.45 o 
 -14  -6  19      136.11      231.46     59.14 o 
 -13  -6  19      291.98      406.33     52.81 o 
 -12  -6  19       43.98       50.75     22.42 o 
 -11  -6  19      423.68      408.30     47.43 o 
 -10  -6  19       28.96       18.00     23.72 o 
  -9  -6  19       73.15       32.58     29.11 o 
  -8  -6  19      119.00      110.31     31.66 o 
  -7  -6  19       21.40       44.15     26.63 o 
  -6  -6  19      353.64      339.80     42.54 o 
  -5  -6  19        8.23       25.12     27.44 o 
  -4  -6  19       20.07       78.35     44.50 o 
 -18  -5  19       27.59       25.23     28.82 o 
 -17  -5  19       22.48      100.87     39.98 o 
 -16  -5  19       10.35       31.76     30.23 o 
 -15  -5  19       15.17       16.67     28.74 o 
 -14  -5  19       14.34       53.60     32.43 o 
 -13  -5  19       27.06       50.98     29.03 o 
 -12  -5  19       64.79       52.25     25.75 o 
 -11  -5  19        2.32       25.88     25.69 o 
 -10  -5  19       42.04       75.41     29.52 o 
  -9  -5  19       25.26       45.39     25.09 o 
  -8  -5  19       44.09       67.93     27.63 o 
  -7  -5  19       91.76       73.88     35.43 o 
  -6  -5  19       11.02        6.36     26.51 o 
  -5  -5  19        1.02        0.00     28.06 o 
 -19  -4  19       37.06       54.52     59.33 o 
 -18  -4  19       23.57      146.68     60.63 o 
 -17  -4  19       80.49       26.09     31.27 o 
 -16  -4  19      220.34      162.24     39.09 o 
 -15  -4  19       58.55       63.94     41.42 o 
 -14  -4  19       54.40       61.00     28.91 o 
 -13  -4  19      392.96      439.29     54.72 o 
 -12  -4  19       79.81       87.61     41.41 o 
 -11  -4  19       72.78       48.84     27.57 o 
 -10  -4  19       24.99       12.87     27.13 o 
  -9  -4  19       24.35       24.12     30.49 o 
  -8  -4  19      119.67       59.02     34.67 o 
  -7  -4  19       29.20       50.94     29.10 o 
  -6  -4  19       17.36       24.64     31.75 o 
 -19  -3  19       11.22       36.78     36.42 o 
 -18  -3  19       11.24       18.02     35.36 o 
 -17  -3  19        7.63       19.17     37.50 o 
 -16  -3  19       19.92       17.93     30.18 o 
 -15  -3  19      136.62      127.21     34.11 o 
 -14  -3  19       69.45       91.30     27.09 o 
 -13  -3  19       51.57       74.44     27.13 o 
 -12  -3  19       29.28       63.77     26.21 o 
 -11  -3  19       24.17       45.17     34.86 o 
 -10  -3  19        2.44        5.78     27.83 o 
  -9  -3  19        5.76        1.25     30.45 o 
  -8  -3  19        4.18       21.96     30.53 o 
  -7  -3  19        7.38       34.71     45.91 o 
 -20  -2  19       43.94        4.68     36.57 o 
 -19  -2  19        8.65       31.29     35.20 o 
 -18  -2  19      149.83      130.95     46.06 o 
 -17  -2  19       16.68       38.57     43.83 o 
 -16  -2  19      185.46      291.30     63.12 o 
 -15  -2  19       61.79       52.52     27.57 o 
 -14  -2  19        6.60       16.22     21.94 o 
 -13  -2  19      164.51       96.57     35.16 o 
 -12  -2  19       36.47       13.84     28.74 o 
 -11  -2  19       65.19       26.07     35.11 o 
 -10  -2  19        9.87        0.94     29.59 o 
  -9  -2  19       21.20       52.38     30.57 o 
  -8  -2  19        9.80        0.00     36.11 o 
 -20  -1  19       72.39       48.50     39.99 o 
 -19  -1  1   -0.10   -0.14  1.0000
   7  -9   3    9571     709                                                        9559   -0.09   -0.14  1.0000
   3   7  -9   10149     580                                                       10137   -0.09   -0.14  1.0000
   7  -9   3    9595     682                                                        9583   -0.09   -0.14  1.0000
  -5  -6  10    1131     229                                                        1159    0.22    0.66  1.0000
  -6  10  -5    1477     310                                                        1509    0.22    0.66  1.0000
  10  -5  -6    1078     290                                                        1105    0.22    0.66  1.0000
  -6  10  -5     897     272                                                         922    0.22    0.66  1.0000
  10  -5  -6     908     194                                                         933    0.22    0.66  1.0000
   5   6 -10    1322     301                                                        1344    0.22   -0.66  1.0000
 -10   5   6    1083     264                                                        1102    0.22   -0.66  1.0000
 -10   5   6    1106     238                                                        1125    0.22   -0.66  1.0000
   5   6 -10    1421     312                                                        1443    0.22   -0.66  1.0000
   6 -10   5     901     245                                                         919    0.22   -0.66  1.0000
  -5  11  -7    2796     448                                                        2818   -0.46    1.04  1.0000
  -7  -5  11    3578     442                                                        3604   -0.46    1.04  1.0000
  -5  11  -7    3202     489                                                        3226   -0.46    1.04  1.0000
  11  -7  -5    3545     515                                                        3570   -0.45    1.04  1.0000
  11  -7  -5    2874     294                                                        2896   -0.45    1.04  1.0000
   7   5 -11    3998     512                                                        4055   -0.46   -1.04  1.0000
 -11   7   5    3396     458                                                        3447   -0.45   -1.04  1.0000
   5 -11   7    3055     437                                                        3103   -0.46   -1.04  1.0000
 -11   7   5    3653     478                                                        3706   -0.45   -1.04  1.0000
   7   5 -11    3057     473                                                        3106   -0.46   -1.04  1.0000
  12  -9  -4    3465     539                                                        3417   -0.50    0.02  1.0000
  12  -9  -4    3130     312                                                        3084   -0.50    0.02  1.0000
  -4  12  -9    3027     492                                                        2982   -0.51    0.01  1.0000
  -9  -4  12    3400     485                                                        3352   -0.51    0.01  1.0000
  -4  12  -9    3507     504                                                        3459   -0.51    0.01  1.0000
   4 -12   9    3625     486                                                        3577   -0.51   -0.01  1.0000
 -12   9   4    4235     505                                                        4183   -0.50   -0.02  1.0000
   9   4 -12    3984     548                                                        3934   -0.51   -0.01  1.0000
   9   4 -12    3340     501                                                        3294   -0.51   -0.01  1.0000
 -12   9   4    3408     498                                                        3361   -0.50   -0.02  1.0000
  -3  13 -11     118     176                                                         114    0.26   -0.15  1.0000
  13 -11  -3     114     180                                                         110    0.27   -0.15  1.0000
  -3  13 -11     227     198                                                         222    0.26   -0.15  1.0000
 -11  -3  13     201     177                                                         196    0.26   -0.15  1.0000
  13 -11  -3     176     108                                                         171    0.27   -0.15  1.0000
  11   3 -13      51     181                                                          48    0.26    0.15  1.0000
 -13  11   3      98     142                                                          94    0.27    0.15  1.0000
  11   3 -13     162     179                                                         157    0.26    0.15  1.0000
 -13  11   3       0     148                                                          -4    0.27    0.15  1.0000
   3 -13  11     159     168                                                         154    0.26    0.15  1.0000
  14 -13  -2     895     194                                                         903    0.05    0.36  1.0000
  14 -13  -2    1301     394                                                        1310    0.05    0.36  1.0000
 -13  -2  14    1340     372                                                        1350    0.05    0.36  1.0000
  -2  14 -13    1434     325                                                        1444    0.05    0.36  1.0000
  -2  14 -13    1221     356                                                        1230    0.05    0.36  1.0000
 -14  13   2     826     254                                                         832    0.05   -0.36  1.0000
 -14  13   2    1664     421                                                        1672    0.05   -0.36  1.0000
  13   2 -14    1055     303                                                        1061    0.05   -0.36  1.0000
  13   2 -14    1372     354                                                        1379    0.05   -0.36  1.0000
   2 -14  13    1234     323                                                        1241    0.05   -0.36  1.0000
 -15  -1  15     594     286                                                         641    0.54    0.26  1.0000
  -1  15 -15     505     208                                                         548    0.53    0.26  1.0000
  15 -15  -1     597     308                                                         644    0.54    0.25  1.0000
  -1  15 -15     477     223                                                         519    0.53    0.26  1.0000
 -15  15   1     842     330                                                         900    0.54   -0.25  1.0000
  15   1 -15     484     228                                                         529    0.54   -0.26  1.0000
   1 -15  15     434     212                                                         476    0.53   -0.26  1.0000
  15   1 -15    1150     370                                                        1218    0.54   -0.26  1.0000
  16 -17   0    1233     381                                                        1078    1.19    0.36  1.0000
 -17   0  16    1646     438                                                        1466    1.19    0.36  1.0000
   0  16 -17    1191     327                                                        1039    1.19    0.37  1.0000
  17   0 -16    1537     430                                                        1363    1.19   -0.36  1.0000
   0 -16  17    1040     273                                                         898    1.19   -0.37  1.0000
 -16  17   0    1257     380                                                        1100    1.19   -0.36  1.0000
  17   0 -16     774     280                                                         652    1.19   -0.36  1.0000
  14 -16   1     181     207                                                         204    0.74    0.22  1.0000
 -16   1  14     150     248                                                         171    0.74    0.22  1.0000
   1  14 -16     340     228                                                         372    0.74    0.22  1.0000
 -14  16  -1     141     191                                                         161    0.74   -0.22  1.0000
  16  -1 -14     432     264                                                         467    0.74   -0.22  1.0000
  -1 -14  16     164     203                                                         185    0.74   -0.22  1.0000
  16  -1 -14     149     139                                                         169    0.74   -0.22  1.0000
   2  12 -15    1591     294                                                        1623    0.29    0.27  1.0000
 -15   2  12     696     303                                                         717    0.29    0.27  1.0000
   2  12 -15     984     324                                                        1009    0.29    0.27  1.0000
  12 -15   2     924     241                                                         948    0.29    0.27  1.0000
  12 -15   2     504     282                                                         522    0.29    0.27  1.0000
  -2 -12  15     828     297                                                         850    0.29   -0.27  1.0000
  15  -2 -12     752     284                                                         773    0.29   -0.27  1.0000
  15  -2 -12     758     282                                                         779    0.29   -0.27  1.0000
 -12  15  -2     969     357                                                         993    0.29   -0.27  1.0000
   3  10 -14     188     193                                                         197    0.08    0.29  1.0000
  10 -14   3     492     271                                                         506    0.08    0.29  1.0000
 -14   3  10     734     294                                                         751    0.08    0.29  1.0000
   3  10 -14     495     148                                                         509    0.08    0.29  1.0000
  10 -14   3     249     190                                                         259    0.08    0.29  1.0000
  14  -3 -10     498     218                                                         509    0.08   -0.29  1.0000
 -10  14  -3     844     310                                                         859    0.08   -0.29  1.0000
  -3 -10  14     539     152                                                         551    0.08   -0.29  1.0000
  -3 -10  14     660     262                                                         673    0.08   -0.29  1.0000
  14  -3 -10     475     211                                                         486    0.08   -0.29  1.0000
 -13   4   8    1055     315                                                        1091    0.05    0.30  1.0000
   8 -13   4    1205     264                                                        1244    0.05    0.30  1.0000
 -13   4   8    1067     211                                                        1103    0.05    0.30  1.0000
   8 -13   4    1057     303                                                        1093    0.05    0.30  1.0000
   4   8 -13    1230     314                                                        1269    0.05    0.30  1.0000
  13  -4  -8     915     298                                                         948    0.05   -0.30  1.0000
  -4  -8  13    1444     262                                                        1486    0.05   -0.30  1.0000
  -8  13  -4    1105     344                                                        1142    0.05   -0.30  1.0000
  -4  -8  13    1190     317                                                        1229    0.05   -0.30  1.0000
  -8  13  -4     810     127                                                         842    0.05   -0.30  1.0000
  13  -4  -8     506     208                                                         531    0.05   -0.30  1.0000
   5   6 -12     179     173                                                         189    0.21    0.08  1.0000
 -12   5   6      84      89                                                          91    0.21    0.08  1.0000
   6 -12   5       0     123                                                         -49    0.21    0.08  1.0000
 -12   5   6       0     131                                                         -34    0.21    0.08  1.0000
  12  -5  -6      60     161                                                          66    0.21   -0.08  1.0000
  12  -5  -6      35     121                                                          40    0.21   -0.08  1.0000
  -6  12  -5      75     140                                                          82    0.21   -0.08  1.0000
  -6  12  -5      53      52                                                          59    0.21   -0.08  1.0000
  -5  -6  12      42     157                                                          47    0.21   -0.08  1.0000
  -5  -6  12       3     118                                                           5    0.21   -0.08  1.0000
   4 -11   6    1671     299                                                        1647    0.18   -0.18  1.0000
   6   4 -11    2224     378                                                        2196    0.18   -0.19  1.0000
 -11   6   4    1867     329                                                        1842    0.18   -0.19  1.0000
 -11   6   4    1361     293                                                        1339    0.18   -0.19  1.0000
  -4  11  -6    1395     303                                                        1372    0.18    0.18  1.0000
  11  -6  -4    1297     283                                                        1275    0.18    0.19  1.0000
  -4  11  -6    1518     314                                                        1494    0.18    0.18  1.0000
  -4  11  -6    1295     145                                                        1273    0.18    0.18  1.0000
  -6  -4  11    1629     306                                                        1604    0.18    0.19  1.0000
  -6  -4  11    1742     340                                                        1717    0.18    0.19  1.0000
  11  -6  -4    1552     277                                                        1528    0.18    0.19  1.0000
   7   2 -10     174     143                                                         156    0.22   -0.36  1.0000
 -10   7   2     287     160                                                         264    0.21   -0.35  1.0000
   2 -10   7     317     176                                                         293    0.22   -0.35  1.0000
 -10   7   2      57     124                                                          47    0.21   -0.35  1.0000
   7   2 -10     188     164                                                         169    0.22   -0.36  1.0000
   2 -10   7     257      74                                                         235    0.22   -0.35  1.0000
  10  -7  -2     385     166                                                         358    0.21    0.35  1.0000
  -2  10  -7     266     170                                                         244    0.22    0.35  1.0000
  -7  -2  10     188     166                                                         169    0.22    0.36  1.0000
  10  -7  -2     342     175                                                         317    0.21    0.35  1.0000
  -2  10  -7     232     148                                                         211    0.22    0.35  1.0000
  -9   8   0    3583     315                                                        3397    0.90    0.01  1.0000
   8   0  -9    3910     461                                                        3715    0.90    0.01  1.0000
   8   0  -9    3681     455                                                        3492    0.90    0.01  1.0000
   0  -9   8    3871     448                                                        3677    0.90    0.01  1.0000
  -9   8   0    3605     477                                                        3418    0.90    0.01  1.0000
   0  -9   8    3850     277                                                        3657    0.90    0.01  1.0000
   9  -8   0    3558     429                                                        3371    0.90   -0.01  1.0000
   0   9  -8    4154     353                                                        395301   -0.03   -0.71  1.0000
 -10  15  -4     513     276                                                         554   -0.02   -0.71  1.0000
   8 -14   5     247     221                                                         247    0.22    0.61  1.0000
   8 -14   5       1     126                                                        -106    0.22    0.61  1.0000
   5   8 -14     129     178                                                         128    0.22    0.61  1.0000
 -14   5   8      35     104                                                          34    0.22    0.61  1.0000
 -14   5   8     167     194                                                         166    0.22    0.61  1.0000
  -5  -8  14     239     131                                                         238    0.22   -0.61  1.0000
  -5  -8  14     213     175                                                         212    0.22   -0.61  1.0000
  14  -5  -8      11     181                                                          10    0.22   -0.61  1.0000
  14  -5  -8      56     114                                                          55    0.22   -0.61  1.0000
  -8  14  -5     316     200                                                         315    0.22   -0.61  1.0000
 -13   6   6    2570     466                                                        2678    0.55    0.40  1.0000
 -13   6   6    2514     369                                                        2621    0.55    0.40  1.0000
   6 -13   6    2280     374                                                        2381    0.55    0.40  1.0000
   6   6 -13    2586     461                                                        2694    0.55    0.40  1.0000
  13  -6  -6    2007     402                                                        2104    0.55   -0.40  1.0000
  -6  -6  13    2256     376                                                        2358    0.55   -0.40  1.0000
  -6  13  -6    3039     490                                                        3158    0.55   -0.40  1.0000
  -6  13  -6    2650     473                                                        2761    0.55   -0.40  1.0000
  13  -6  -6    1622     333                                                        1709    0.55   -0.40  1.0000
  -6  -6  13    2525     446                                                        2633    0.55   -0.40  1.0000
   4 -12   7    1147     266                                                        1113    0.20   -0.37  1.0000
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1$19<, 4-619  1753/0   2'3#3                                                      17:5!9 -03- &7  =>,/&31?/.00
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1%40 9&?17)1    1="8   1'<*6                                                        5;(5  =>(+%1  03.*-31?/.00
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1;(1 3&?1)52   #2:"3   2"7%6                                                       #10'2  =>/(!2  0>.-'61?/.00
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1;&1 /$?1592    28%5   1&4'0                                                        26 3  =>/(!2  0>.-'61?/.00
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1(5?15(1-2&2   '41%3   3%6!6                                                       '64 6  =>/,!2 -0>,$'61?/.00
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18:4-.$=19(3   ".%%9   2!4&0                                                       %&/+2  =>/-%2  =>,$&31?/.00
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1844 ?&=<($3   #./#3   1-0#9                                                       #/! 7  =>/-%2  =>,$&31?/.00
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2-&4  3;1459   2&0"5   1%4%5                                                       2&>-1  03*) 2  =3,'*51?/.00
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1"4:<)&6 4"0   34#$8   2&7.6                                                       3;7/0  =3-+$7  =>()$41?/.00
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15#0-&0:</(6    %8-0   1!1&3                                                        !<%2  03-)%7 -03(,!31?/.00
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1 4;17#7-*!2    2-41   1!:'3                                                       -!-$7  03/.#7  <3,,!21?/.00
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1 (:1:#2-'=6   36101   2'>$3                                                       >!(#1  03/.#7  <3,,!21?/.00
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-8#:<#!21&96   3'/41   1"0"7                                                       3!*+4  03/."7 -<>,,"21?/.00
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 '0;1-(717#2   30%!9   2#1#2                                                       257)3  03/."7 -<>,,!21?/.00
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1+)7 ' ?1126   20&(5   1$0)8                                                       157,8  03/*"7 -<>,.!21?/.00
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16"8 ''4-+05    17%7   1 5%4                                                        <=&5 -0>*$#2 -=>(*"81?/.00
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 &93-&+015%8  1187 0   3$7*5                                                      1152(2 -0>,/'6 -=3.'*31?/.00
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19$1-)03 $&7   1% 80   1 ?$6                                                       1"#93  =>/$"2 -03*+'51?/.00
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 9$0-"091"&5   7-!#6   2'7$7                                                       &#"-8 -=3-$!8  =>. .31?/.00
1>64-(!5 /%0   %"%%9   2$9.6                                                       % '%8 -=3-$!7  =>. .31?/.00
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 (&5 3$=<"04   $(?(2   2!4%6                                                       ' 8-3 -=3-$!7  =>. .31?/.00
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 "$013:4-4)5   4%"19   2#4+3                                                       4"-)7 -=3-!&8 -03.'!31?/.00
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1>)5 ($0-3:4   64/46   2$5*5                                                       63. 2 -=3- &7 -03.'!31?/.00
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-354</'5-9%0   5+5$0   2#?,1                                                       5%0$6 -=3-!&7 -03.'!31?/.00
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-9&3->)9<"65   507"7   2#?$1                                                       493&0 -=>- '2 -0>.'/71?/.00
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<"65-9&3->)9   89$*9   2#1"8                                                       88"-6 -=>- '2 -0>.'/71?/.00

1,'9 <781?)3   8#2(8   2%1'5                                                         228    0.02    0.77  1.0000
  -5 -13  19     200     228                                                         242    0.02   -0.77  1.0000
  19  -5 -13       2     153                                                          -9    0.02   -0.77  1.0000
 -13  19  -5     147     229                                                         183    0.02   -0.77  1.0000
  19  -5 -13      36     216                                                          55    0.02   -0.77  1.0000
 -18   6  11     704     393                                                         786    0.01    0.82  1.0000
  11 -18   6     477     279                                                         545    0.02    0.82  1.0000
   6  11 -18     760     319                                                         845    0.01    0.82  1.0000
  11 -18   6     560     221                                                         634    0.02    0.82  1.0000
  -6 -11  18     626     301                                                         704    0.01   -0.82  1.0000
  18  -6 -11     369     275                                                         429    0.01   -0.82  1.0000
  -6 -11  18     373     136                                                         433    0.01   -0.82  1.0000
  18  -6 -11     310     206                                                         365    0.01   -0.82  1.0000
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   9 -17   7     205     223                                                         214   -0.77    0.34  1.0000
   7   9 -17     338     221                                                         350   -0.78    0.34  1.0000
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  -7  -9  17       2     164                                                         -16   -0.78   -0.34  1.0000
  -7  -9  17       2     137                                                        -102   -0.78   -0.34  1.0000
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   8   7 -16      27     167                                                          36   -0.67    0.18  1.0000
  -7  16  -8       2     181                                                         -35   -0.66   -0.18  1.0000
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  -8  -7  16       2     119                                                         -10   -0.67   -0.18  1.0000
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  16  -8  -7     413     148                                                         453   -0.67   -0.18  1.0000
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   5 -15   9     290     193                                                         272   -0.55    0.78  1.0000
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  -9  -5  15     928     337                                                         898   -0.56   -0.78  1.0000
  -5  15  -9     688     281                                                         662   -0.55   -0.78  1.0000
  -9  -5  15     834     285                                                         805   -0.56   -0.78  1.0000
  -5  15  -9     836     268                                                         807   -0.55   -0.78  1.0000
  15  -9  -5     667     223                                                         641   -0.55   -0.78  1.0000
  15  -9  -5     449     231                                                         427   -0.55   -0.78  1.0000
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   3 -14  10     441     234                                                         425   -0.30    0.29  1.0000
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  13 -11  -1    1586     336                                                        1729    0.40   -0.89  1.0000
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  12 -12   1     683     258                                                         701    0.55    0.13  1.0000
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  -3 -11  13       1     163                                                         -82    0.38   -0.23  1.0000
   3  11 -13       1     148                                                         -44    0.38    0.23  1.0000
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  11 -13   3     120     184                                                         113    0.38    0.23  1.0000
  11 -13   3     238     204                                                         229    0.38    0.23  1.0000
   3  11 -13       1      87                                                          -5    0.38    0.23  1.0000
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  14  -5 -10     414     225                                                         408   -0.08    0.03  1.0000
  -5 -10  14     546     272                                                         539   -0.08    0.03  1.0000
  14  -5 -10     514     190                                                         507   -0.08    0.03  1.0000
  10 -14   5     675     252                                                         667   -0.08   -0.03  1.0000
  10 -14   5     492     256                                                         485   -0.08   -0.03  1.0000
 -14   5  10     428     252                                                         421   -0.08   -0.03  1.0000
   5  10 -14     325     238                                                         319   -0.08   -0.03  1.0000
 -14   5  10     134     123                                                         130   -0.08   -0.03  1.0000
  -7  -9  15    1249     378                                                        1218   -0.35    0.48  1.0000
  15  -7  -9    1629     396                                                        1595   -0.34    0.48  1.0000
  -7  -9  15    1932     343                                                        1894   -0.35    0.48  1.0000
  -9  15  -7    1673     400                                                        1638   -0.35    0.48  1.0000
  15  -7  -9    1404     295                                                        1372   -0.34    0.48  1.0000
   7   9 -15    1566     394                                                        1534   -0.35   -0.48  1.0000
   9 -15   7    1544     477                                                        1512   -0.35   -0.48  1.0000
 -15   7   9    1394     363                                                        1364   -0.34   -0.48  1.0000
 -15   7   9    1384     305                                                        1354   -0.34   -0.48  1.0000
   9 -15   7    1672     370                                                        1639   -0.35   -0.48  1.0000
  -9  -8  16     687     229                                                         701   -0.21    0.03  1.0000
  -8  16  -9     377     266                                                         387   -0.21    0.03  1.0000
  16  -9  -8     484     274                                                         495   -0.21    0.03  1.0000
  -8  16  -9     405     239                                                         415   -0.21    0.03  1.0000
 -16   9   8     220     146                                                         228   -0.21   -0.03  1.0000
   8 -16   9     303     223                                                         312   -0.21   -0.03  1.0000
   9   8 -16       0     202                                                         -44   -0.21   -0.03  1.0000
 -16   9   8     544     265                                                         557   -0.21   -0.03  1.0000
  -7  17 -11     434     265                                                         436   -0.62   -0.44  1.0000
 -11  -7  17     524     217                                                         526   -0.62   -0.45  1.0000
  17 -11  -7     447     279                                                         449   -0.63   -0.44  1.0000
  -7  17 -11     528     257                                                         530   -0.62   -0.44  1.0000
  11   7 -17     424     206                                                         426   -0.62    0.45  1.0000
 -17  11   7     426     260                                                         428   -0.63    0.44  1.0000
   7 -17  11     582     263                                                         585   -0.62    0.44  1.0000
  11   7 -17     739     289                                                         743   -0.62    0.45  1.0000
 -17  11   7     578     231                                                         581   -0.63    0.44  1.0000
  18 -13  -6       0     203                                                         -32   -0.02   -0.24  1.0000
  -6  18 -13    1098     332                                                        1079   -0.02   -0.24  1.0000
 -13  -6  18     394     208                                                         382   -0.02   -0.24  1.0000
  -6  18 -13     509     239                                                         496   -0.02   -0.24  1.0000
  13   6 -18       0     219                                                          -8   -0.02    0.24  1.0000
 -18  13   6       0     168                                                         -37   -0.02    0.24  1.0000
   6 -18  13       0     132                                                         -48   -0.02    0.24  1.0000
 -18  13   6       0     148                                                         -46   -0.02    0.24  1.0000
  13   6 -18       0     152                                                         -75   -0.02    0.24  1.0000
 -15  -5  19     106     179                                                         128   -0.39   -0.47  1.0000
  -5  19 -15      81     183                                                         101   -0.38   -0.47  1.0000
  19 -15  -5       1     201                                                        -176   -0.38   -0.47  1.0000
  -5  19 -15      21     176                                                          31   -0.38   -0.47  1.0000
   5 -19  15     396     197                                                         438   -0.38    0.47  1.0000
 -19  15   5     268     223                                                         303   -0.38    0.47  1.0000
  15   5 -19       1     153                                                        -261   -0.39    0.47  1.0000
  15   5 -19     137     220                                                         162   -0.39    0.47  1.0000
  -4  20 -17       1     187                                                        -124   -0.22   -0.54  1.0000
  20 -17  -4       1     224                                                        -105   -0.22   -0.54  1.0000
 -17  -4  20      15     197                                                          10   -0.22   -0.54  1.0000
  -4  20 -17      83     180                                                          71   -0.22   -0.54  1.0000
  17   4 -20     187     225                                                         169   -0.22    0.54  1.0000
 -20  17   4     370     233                                                         345   -0.22    0.54  1.0000
   4 -20  17     142     172                                                         126   -0.22    0.54  1.0000
  17   4 -20       1     203                                                  
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +  XL     -     CRYSTAL STRUCTURE REFINEMENT    -    SHELXTL Version 2008/4  +
 +  Copyright(c) 2008 Bruker Analytical X-ray Solutions  All Rights Reserved  +
 +  kla0342_b_sq_d                        started at 11:50:02 on 24-Jun-2013  +
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 TITL kla0342_b in R3
 CELL 0.71073  18.2288  18.2288  18.2288 116.846 116.846 116.846
 ZERR    3.00   0.0020   0.0020   0.0020   0.000   0.000   0.000
 LATT -1
 SYMM Z, X, Y
 SYMM Y, Z, X
 SFAC C H B N SI FE
 UNIT 81 174 3 21 3 3

 V =     2735.78     F(000) =     942.0     Mu =   0.47 mm-1      Cell Wt =     1726.66    Rho =  1.048

 TEMP -73.000
 SIZE 0.108 0.12 0.168
 ACTA 50
  
 SADI N1 Si N1 Si'
 SADI Fe1 Si Fe1 Si'
 SADI Si c25 si c26 si c27 si' c25' si' c26' si' c27'
 SADI c25 c26 c25 c27 c26 c27 c25' c26' c25' c27' c26' c27'
  
 EADP Si Si'
 EADP C25 C25'
 EADP C26 C26'
 EADP c27 c27'
  
 CONF
 L.S. 20
 BOND
 FMAP 2
 PLAN 5
 WGHT    0.030000
 FVAR       1.78714   0.49603
 PART   1
 SI'   5   0.42871   0.42926   0.67247  21.00000   0.09408   0.09644 =
        0.10345   0.09118   0.08948   0.08482
 C25'  1   0.48621   0.58268   0.74540  21.00000   0.18738   0.18883 =
        0.22086   0.19329   0.19058   0.17120
 AFIX 137
 H25A  2   0.57194   0.66754   0.85150  21.00000  -1.50000
 H25B  2   0.40742   0.55610   0.70925  21.00000  -1.50000
 H25C  2   0.50974   0.60565   0.71407  21.00000  -1.50000
 AFIX   0
 C26'  1   0.58373   0.48786   0.74771  21.00000   0.16816   0.16458 =
        0.19238   0.16120   0.16986   0.14944
 AFIX 137
 H26A  2   0.64449   0.53165   0.83867  21.00000  -1.50000
 H26B  2   0.64139   0.55913   0.76609  21.00000  -1.50000
 H26C  2   0.54702   0.40367   0.67803  21.00000  -1.50000
 AFIX   0
 C27'  1   0.28543   0.28442   0.47602  21.00000   0.10757   0.10929 =
        0.11023   0.09394   0.09380   0.08265
 AFIX 137
 H27A  2   0.19808   0.24462   0.42926  21.00000  -1.50000
 H27B  2   0.26320   0.20735   0.43508  21.00000  -1.50000
 H27C  2   0.31886   0.32432   0.45931  21.00000  -1.50000
 AFIX   0
 PART   2
 SI    5   0.50787   0.50781   0.76411 -21.00000   0.09408   0.09644 =
        0.10345   0.09118   0.08948   0.08482
 C25   1   0.42171   0.51708   0.67221 -21.00000   0.18738   0.18883 =
        0.22086   0.19329   0.19058   0.17120
 AFIX 137
 H25D  2   0.41938   0.56715   0.72092 -21.00000  -1.50000
 H25E  2   0.32256   0.41872   0.57082 -21.00000  -1.50000
 H25F  2   0.47755   0.57030   0.67618 -21.00000  -1.50000
 AFIX   0
 C26   1   0.51815   0.42146   0.67295 -21.00000   0.16816   0.16458 =
        0.19238   0.16120   0.16986   0.14944
 AFIX 137
 H26D  2   0.42037   0.31903   0.57493 -21.00000  -1.50000
 H26E  2   0.57758   0.42925   0.72856 -21.00000  -1.50000
 H26F  2   0.56192   0.47060   0.66734 -21.00000  -1.50000
 AFIX   0
 C27   1   0.69858   0.69740   0.94984 -21.00000   0.10757   0.10929 =
        0.11023   0.09394   0.09380   0.08265
 AFIX 137
 H27D  2   0.70066   0.75024   1.00307 -21.00000  -1.50000
 H27E  2   0.74475   0.74449   0.94422 -21.00000  -1.50000
 H27F  2   0.75106   0.69762   1.00033 -21.00000  -1.50000
 AFIX   0
 PART   0
 FE1   6   0.32094   0.32090   0.75787  11.00000   0.05187   0.05178 =
        0.05778   0.04831   0.04836   0.04600
 B1    3   0.17365   0.17414   0.77159  11.00000   0.06175   0.06070 =
        0.06483   0.05616   0.05746   0.05568
 C1    1   0.22426   0.04883   0.60480  11.00000   0.03934   0.03869 =
        0.03703   0.02772   0.03095   0.03217
 N1    4   0.40251   0.40188   0.74349  11.00000   0.11396   0.11315 =
        0.13857   0.11790   0.11806   0.10385
 N2    4   0.23982   0.14068   0.67576  11.00000   0.04348   0.04156 =
        0.03976   0.03405   0.03606   0.03619
 C2    1   0.14843  -0.05740   0.57506  11.00000   0.04708   0.03763 =
        0.05242   0.03384   0.03836   0.03463
 AFIX  43
 H2A   2   0.12341  -0.13462   0.52680  11.00000  -1.20000
 AFIX   0
 N3    4   0.14106   0.24016   0.67593  11.00000   0.04146   0.04496 =
        0.04150   0.03693   0.03424   0.03719
 C3    1   0.11574  -0.02992   0.62905  11.00000   0.04511   0.04345 =
        0.05545   0.04167   0.04048   0.03766
 C24   1   0.22297   0.44599   0.70555  11.00000   0.07731   0.08221 =
        0.08212   0.07585   0.06766   0.06948
 AFIX 137
 H24A  2   0.24153   0.49931   0.77864  11.00000  -1.50000
 H24B  2   0.23465   0.48466   0.68156  11.00000  -1.50000
 H24C  2   0.29182   0.45688   0.74392  11.00000  -1.50000
 AFIX   0
 N4    4   0.42282   0.42258   0.95162  11.00000   0.04255   0.04084 =
        0.04017   0.03127   0.03247   0.03741
 C4    1   0.03762  -0.10806   0.63007  11.00000   0.07637   0.06180 =
        0.09908   0.07002   0.07537   0.05964
 AFIX 137
 H4A   2  -0.04072  -0.13228   0.58874  11.00000  -1.50000
 H4B   2   0.10592  -0.04546   0.72996  11.00000  -1.50000
 H4C   2  -0.00310  -0.19724   0.57217  11.00000  -1.50000
 AFIX   0
 C22   1   0.63924   0.72149   1.11725  11.00000   0.06930   0.06424 =
        0.11780   0.06820   0.06490   0.05600
 AFIX 137
 H22A  2   0.55545   0.63964   1.01147  11.00000  -1.50000
 H22B  2   0.72202   0.80420   1.16090  11.00000  -1.50000
 H22C  2   0.61563   0.74843   1.15091  11.00000  -1.50000
 AFIX   0
 N5    4   0.17180   0.09033   0.69026  11.00000   0.04738   0.04396 =
        0.05096   0.04126   0.04259   0.03959
 C5    1   0.54112   0.54091   1.16397  11.00000   0.08368   0.08376 =
        0.03866   0.04429   0.04318   0.07725
 AFIX  43
 H5A   2   0.61587   0.61510   1.26524  11.00000  -1.20000
 AFIX   0
 C23   1   0.80939   0.80909   1.32883  11.00000   0.05657   0.05561 =
        0.06690   0.02300   0.02207   0.03642
 AFIX 137
 H23A  2   0.84040   0.78631   1.36057  11.00000  -1.50000
 H23B  2   0.78199   0.83063   1.36011  11.00000  -1.50000
 H23C  2   0.88918   0.89355   1.37172  11.00000  -1.50000
 AFIX   0
 N6    4   0.09037   0.17229   0.69009  11.00000   0.04485   0.04572 =
        0.05183   0.04236   0.04295   0.03963
 C6    1   0.40318   0.40338   1.05619  11.00000   0.09580   0.10113 =
        0.05758   0.06941   0.06828   0.09259
 N7    4   0.33064   0.33046   0.92604  11.00000   0.05819   0.06136 =
        0.05318   0.05033   0.04858   0.05495
 C7    1  -0.10832   0.03806   0.63015  11.00000   0.06910   0.07227 =
        0.10567   0.07548   0.07676   0.06139
 AFIX 137
 H7A   2  -0.13449  -0.04161   0.58740  11.00000  -1.50000
 H7B   2  -0.19639  -0.00079   0.57358  11.00000  -1.50000
 H7C   2  -0.04514   0.10620   0.73020  11.00000  -1.50000
 AFIX   0
 C8    1  -0.02973   0.11563   0.62901  11.00000   0.04377   0.04873 =
        0.05780   0.04483   0.04260   0.03967
 C9    1  -0.05784   0.14711   0.57458  11.00000   0.04155   0.04858 =
        0.04955   0.03749   0.03443   0.03859
 AFIX  43
 H9A   2  -0.13605   0.12061   0.52510  11.00000  -1.20000
 AFIX   0
 C10   1   0.04902   0.22453   0.60539  11.00000   0.03774   0.04163 =
        0.03849   0.03299   0.02791   0.03301
 C11   1   0.07117   0.28840   0.57156  11.00000   0.05730   0.06544 =
        0.06031   0.05479   0.04634   0.05354
 C12   1   0.28692   0.07067   0.57095  11.00000   0.06225   0.05629 =
        0.04932   0.04207   0.04845   0.04979
 C13   1   0.19994   0.03634   0.45404  11.00000   0.10149   0.13347 =
        0.08028   0.08843   0.08044   0.09567
 AFIX 137
 H13A  2   0.20520   0.10077   0.48838  11.00000  -1.50000
 H13B  2   0.09864  -0.06461   0.36671  11.00000  -1.50000
 H13C  2   0.23971   0.05065   0.43141  11.00000  -1.50000
 AFIX   0
 C14   1   0.27465  -0.03469   0.51616  11.00000   0.10861   0.08732 =
        0.10541   0.07323   0.09745   0.08734
 AFIX 137
 H14A  2   0.32763  -0.01432   0.59100  11.00000  -1.50000
 H14B  2   0.31615  -0.02137   0.49506  11.00000  -1.50000
 H14C  2   0.17243  -0.13484   0.42786  11.00000  -1.50000
 AFIX   0
 C15   1   0.03522   0.19787   0.45247  11.00000   0.13869   0.10713 =
        0.07904   0.08393   0.09246   0.10209
 AFIX 137
 H15A  2   0.10474   0.20958   0.49005  11.00000  -1.50000
 H15B  2   0.04101   0.23090   0.42262  11.00000  -1.50000
 H15C  2  -0.06301   0.09547   0.36891  11.00000  -1.50000
 AFIX   0
 C16   1  -0.03387   0.27544   0.51573  11.00000   0.08349   0.11442 =
        0.11167   0.10280   0.07486   0.08813
 AFIX 137
 H16A  2  -0.01214   0.33095   0.59115  11.00000  -1.50000
 H16B  2  -0.13373   0.17336   0.42915  11.00000  -1.50000
 H16C  2  -0.02258   0.31377   0.49138  11.00000  -1.50000
 AFIX   0
 C17   1   0.72244   0.64052   1.11829  11.00000   0.05719   0.06653 =
        0.10831   0.06118   0.06010   0.05085
 AFIX 137
 H17A  2   0.64249   0.55964   1.01292  11.00000  -1.50000
 H17B  2   0.74540   0.61286   1.14824  11.00000  -1.50000
 H17C  2   0.80792   0.72514   1.16585  11.00000  -1.50000
 AFIX   0
 C18   1   0.33261   0.33260   1.06576  11.00000   0.16621   0.16414 =
        0.11846   0.13185   0.13269   0.15564
 AFIX 137
 H18A  2   0.40318   0.40155   1.16776  11.00000  -1.50000
 H18B  2   0.29821   0.24742   1.01559  11.00000  -1.50000
 H18C  2   0.25042   0.30265   1.02017  11.00000  -1.50000
 AFIX   0
 C19   1   0.55186   0.55225   1.09664  11.00000   0.04940   0.04784 =
        0.04920   0.03416   0.03452   0.04500
 C20   1   0.44645   0.22260   0.70550  11.00000   0.08006   0.07221 =
        0.08387   0.06522   0.07440   0.06473
 AFIX 137
 H20A  2   0.45931   0.29293   0.74559  11.00000  -1.50000
 H20B  2   0.48401   0.23315   0.68033  11.00000  -1.50000
 H20C  2   0.49933   0.24008   0.77768  11.00000  -1.50000
 AFIX   0
 C21   1   0.67787   0.67792   1.16189  11.00000   0.04151   0.04535 =
        0.05680   0.02642   0.02457   0.03353
 H1    2   0.11894   0.11950   0.78288  11.00000   0.02775
  
 HKLF 4


 Covalent radii and connectivity table for  kla0342_b in R3                                                            

 C    0.770
 H    0.320
 B    0.820
 N    0.700
 SI   1.170
 FE   1.240

 Si'_a - N1 C27'_a C25'_a C26'_a
 C25'_a - Si'_a
 C26'_a - Si'_a
 C27'_a - Si'_a
 Si_b - N1 C25_b C27_b C26_b
 C25_b - Si_b
 C26_b - Si_b
 C27_b - Si_b
 Fe1 - N1 N3 N2 N4
 B1 - N7 N6 N5
 C1 - N2 C2 C12
 N1 - Si_b Si'_a Fe1
 N2 - C1 N5 Fe1
 C2 - C1 C3
 N3 - C10 N6 Fe1
 C3 - N5 C2 C4
 C24 - C11
 N4 - C19 N7 Fe1
 C4 - C3
 C22 - C21
 N5 - C3 N2 B1
 C5 - C6 C19
 C23 - C21
 N6 - C8 N3 B1
 C6 - C5 N7 C18
 N7 - C6 N4 B1
 C7 - C8
 C8 - N6 C9 C7
 C9 - C8 C10
 C10 - N3 C9 C11
 C11 - C24 C10 C15 C16
 C12 - C20 C1 C13 C14
 C13 - C12
 C14 - C12
 C15 - C11
 C16 - C11
 C17 - C21
 C18 - C6
 C19 - N4 C5 C21
 C20 - C12
 C21 - C19 C17 C22 C23


 Floating origin restraints generated



   35622  Reflections read, of which     0  rejected

 -23 =< h =< 23,    -23 =< k =< 23,    -23 =< l =< 23,   Max. 2-theta =   55.34

       0  Systematic absence violations

       0  Inconsistent equivalents

    8460  Unique reflections, of which      0  suppressed

 R(int) = 0.1231     R(sigma) = 0.1163      Friedel opposites not merged

 Maximum memory for data reduction =  5081 /  102306



 Default effective X-H distances for T =  -73.0 C

 AFIX m =    1     2     3     4   4[N]  3[N]  15[B]  8[O]   9   9[N]   16
 d(X-H) =  1.00  0.99  0.98  0.95  0.88  0.91  1.12  0.84  0.95  0.88  0.95

 Note that these distances are chosen to give the best fit to the X-ray data
 and so avoid the introduction of systematic error.  The true internuclear
 distances are longer and do not vary with temperature !  The apparent
 variation with temperature is caused by libration.


   ** Cell contents from UNIT instruction and atom list do not agree **


 Unit-cell contents from UNIT instruction and atom list resp.

 C        81.00     81.00
 H       174.00    147.00
 B         3.00      3.00
 N        21.00     21.00
 SI        3.00      3.00
 FE        3.00      3.00


 Least-squares cycle   1      Maximum vector length =  511      Memory required =   6290 /  471160

 wR2 =  0.1265 before cycle   1 for   8460 data and   369 /   369 parameters


 Summary of restraints applied in cycle    1

                 ANTIBUMP   DFIX     DANG  SAME/SADI  CHIV/Z  CHIV/NZ    FLAT     DELU     SIMU     ISOR     SUMP

        Number       0.       0.       0.      32.       0.       0.       0.       0.       0.       0.       0.

 rms sigma        0.000    0.000    0.000    0.020    0.000    0.000    0.000    0.000    0.000    0.000    0.000

 rms deviation    0.000    0.000    0.000    0.018    0.000    0.000    0.000    0.000    0.000    0.000    0.000


 GooF = S =     0.994;     Restrained GooF =      0.993  for     33 restraints

 Weight = 1 / [ sigma^2(Fo^2) + ( 0.0300 * P )^2 +   0.00 * P ]   where  P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3


     N      value        esd    shift/esd  parameter

     1     1.78711     0.00221    -0.014    OSF
     2     0.49344     0.00348    -0.744   FVAR  2 
    62     0.05904     0.00040     3.172    U33 Fe1
    63     0.04947     0.00034     3.379    U23 Fe1
    64     0.04949     0.00034     3.283    U13 Fe1
    65     0.04703     0.00033     3.140    U12 Fe1

 Mean shift/esd =   0.497    Maximum =   3.379 for  U23 Fe1      

 Max. shift = 0.075 A for H26F_b     Max. dU =-0.007 for H1        


 Least-squares cycle   2      Maximum vector length =  511      Memory required =   6290 /  471160

 wR2 =  0.1244 before cycle   2 for   8460 data and   369 /   369 parameters


 Summary of restraints applied in cycle    2

                 ANTIBUMP   DFIX     DANG  SAME/SADI  CHIV/Z  CHIV/NZ    FLAT     DELU     SIMU     ISOR     SUMP

        Number       0.       0.       0.      32.       0.       0.       0.       0.       0.       0.       0.

 rms sigma        0.000    0.000    0.000    0.020    0.000    0.000    0.000    0.000    0.000    0.000    0.000

 rms deviation    0.000    0.000    0.000    0.018    0.000    0.000    0.000    0.000    0.000    0.000    0.000


 GooF = S =     0.976;     Restrained GooF =      0.975  for     33 restraints

 Weight = 1 / [ sigma^2(Fo^2) + ( 0.0300 * P )^2 +   0.00 * P ]   where  P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3


     N      value        esd    shift/esd  parameter

     1     1.78877     0.00218     0.763    OSF
     2     0.49249     0.00340    -0.280   FVAR  2 

 Mean shift/esd =   0.248    Maximum =   1.688 for  U23 Fe1      

 Max. shift = 0.029 A for H18B      Max. dU =-0.003 for H1         


 Least-squares cycle   3      Maximum vector length =  511      Memory required =   6290 /  471160

 wR2 =  0.1242 before cycle   3 for   8460 data and   369 /   369 parameters


 Summary of restraints applied in cycle    3

                 ANTIBUMP   DFIX     DANG  SAME/SADI  CHIV/Z  CHIV/NZ    FLAT     DELU     SIMU     ISOR     SUMP

        Number       0.       0.       0.      32.       0.       0.       0.       0.       0.       0.       0.

 rms sigma        0.000    0.000    0.000    0.020    0.000    0.000    0.000    0.000    0.000    0.000    0.000

 rms deviation    0.000    0.000    0.000    0.018    0.000    0.000    0.000    0.000    0.000    0.000    0.000


 GooF = S =     0.974;     Restrained GooF =      0.974  for     33 restraints

 Weight = 1 / [ sigma^2(Fo^2) + ( 0.0300 * P )^2 +   0.00 * P ]   where  P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3


     N      value        esd    shift/esd  parameter

     1     1.78933     0.00218     0.255    OSF
     2     0.49239     0.00340    -0.028   FVAR  2 

 Mean shift/esd =   0.057    Maximum =   0.255 for  OSF          

 Max. shift = 0.023 A for H26C_a     Max. dU = 0.001 for C26'_a    


 Least-squares cycle   4      Maximum vector length =  511      Memory required =   6290 /  471160

 wR2 =  0.1242 before cycle   4 for   8460 data and   369 /   369 parameters


 Summary of restraints applied in cycle    4

                 ANTIBUMP   DFIX     DANG  SAME/SADI  CHIV/Z  CHIV/NZ    FLAT     DELU     SIMU     ISOR     SUMP

        Number       0.       0.       0.      32.       0.       0.       0.       0.       0.       0.       0.

 rms sigma        0.000    0.000    0.000    0.020    0.000    0.000    0.000    0.000    0.000    0.000    0.000

 rms deviation    0.000    0.000    0.000    0.018    0.000    0.000    0.000    0.000    0.000    0.000    0.000


 GooF = S =     0.974;     Restrained GooF =      0.973  for     33 restraints

 Weight = 1 / [ sigma^2(Fo^2) + ( 0.0300 * P )^2 +   0.00 * P ]   where  P = 10168
                                             0.00000     0.00000

 H4B         0.10491  -0.04654   0.72900     1.00000     0.10168
                                             0.00000     0.00000

 H4C        -0.00318  -0.19772   0.57146     1.00000     0.10168
                                             0.00000     0.00000

 C22         0.63981   0.72171   1.11766     1.00000     0.07209   0.06750   0.12117   0.07111   0.06793   0.05920    0.10628
   0.03371   0.00064   0.00063   0.00072     0.00000     0.00435   0.00414   0.00567   0.00453   0.00457   0.00404    0.00246

 H22A        0.55303   0.63837   1.01171     1.00000     0.15941
                                             0.00000     0.00000

 H22B        0.72073   0.80120   1.15722     1.00000     0.15941
                                             0.00000     0.00000

 H22C        0.62103   0.75336   1.15560     1.00000     0.15941
                                             0.00000     0.00000

 N5          0.17203   0.09066   0.69079     1.00000     0.04884   0.04366   0.05279   0.04245   0.04451   0.04029    0.03949
   0.01867   0.00036   0.00036   0.00037     0.00000     0.00217   0.00210   0.00225   0.00206   0.00210   0.00202    0.00084

 C5          0.54092   0.54072   1.16350     1.00000     0.08261   0.08360   0.03898   0.04476   0.04413   0.07650    0.07259
   0.03369   0.00068   0.00068   0.00059     0.00000     0.00446   0.00450   0.00314   0.00355   0.00353   0.00428    0.00189

 H5A         0.61557   0.61489   1.26476     1.00000     0.08710
                                             0.00000     0.00000

 C23         0.80971   0.80937   1.32871     1.00000     0.05505   0.05632   0.06987   0.02657   0.02637   0.03610    0.13115
   0.03143   0.00065   0.00065   0.00066     0.00000     0.00409   0.00413   0.00485   0.00411   0.00409   0.00385    0.00312

 H23A        0.84293   0.78787   1.36060     1.00000     0.19673
                                             0.00000     0.00000

 H23B        0.78149   0.82879   1.35992     1.00000     0.19673
                                             0.00000     0.00000

 H23C        0.88823   0.89466   1.37152     1.00000     0.19673
                                             0.00000     0.00000

 N6          0.09063   0.17227   0.69063     1.00000     0.04338   0.04633   0.05324   0.04376   0.04312   0.03912    0.03792
   0.01853   0.00035   0.00036   0.00036     0.00000     0.00208   0.00211   0.00224   0.00207   0.00205   0.00198    0.00083

 C6          0.40360   0.40380   1.05602     1.00000     0.08831   0.09166   0.05463   0.06303   0.06260   0.08473    0.05804
   0.03338   0.00066   0.00067   0.00058     0.00000     0.00409   0.00418   0.00328   0.00352   0.00349   0.00398    0.00143

 N7          0.33061   0.33040   0.92601     1.00000     0.05762   0.06065   0.05182   0.04973   0.04823   0.05449    0.04214
   0.02060   0.00040   0.00040   0.00039     0.00000     0.00250   0.00256   0.00237   0.00234   0.00231   0.00242    0.00089

 C7         -0.10870   0.03778   0.62984     1.00000     0.06806   0.07376   0.10905   0.07804   0.07843   0.06157    0.07016
   0.03023   0.00055   0.00056   0.00063     0.00000     0.00363   0.00372   0.00459   0.00393   0.00391   0.00348    0.00159

 H7A        -0.13607  -0.04274   0.58572     1.00000     0.10524
                                             0.00000     0.00000

 H7B        -0.19606   0.00008   0.57432     1.00000     0.10524
                                             0.00000     0.00000

 H7C        -0.04525   0.10535   0.72989     1.00000     0.10524
                                             0.00000     0.00000

 C8         -0.02991   0.11561   0.62919     1.00000     0.04727   0.05225   0.05927   0.04768   0.04560   0.04307    0.04636
   0.02525   0.00048   0.00049   0.00050     0.00000     0.00273   0.00282   0.00298   0.00274   0.00270   0.00263    0.00111

 C9         -0.05774   0.14771   0.57528     1.00000     0.04157   0.05042   0.05122   0.03955   0.03566   0.03923    0.05184
   0.02538   0.00050   0.00050   0.00050     0.00000     0.00288   0.00304   0.00308   0.00288   0.00279   0.00281    0.00126

 H9A        -0.13536   0.12210   0.52670     1.00000     0.06221
                                             0.00000     0.00000

 C10         0.04914   0.22462   0.60535     1.00000     0.03779   0.04122   0.03793   0.03237   0.02790   0.03299    0.04256
   0.02261   0.00045   0.00045   0.00044     0.00000     0.00255   0.00260   0.00255   0.00243   0.00239   0.00244    0.00108

 C11         0.07090   0.28821   0.57123     1.00000     0.05370   0.06252   0.05764   0.05234   0.04357   0.05018    0.05452
   0.02692   0.00052   0.00054   0.00052     0.00000     0.00314   0.00337   0.00320   0.00314   0.00299   0.00312    0.00126

 C12         0.28711   0.07023   0.57075     1.00000     0.06090   0.05519   0.04893   0.04137   0.04801   0.04877    0.05236
   0.02627   0.00053   0.00051   0.00050     0.00000     0.00328   0.00313   0.00295   0.00287   0.00297   0.00306    0.00122

 C13         0.20058   0.03661   0.45390     1.00000     0.10654   0.13960   0.08623   0.09458   0.08629   0.10252    0.09939
   0.03754   0.00072   0.00078   0.00067     0.00000     0.00516   0.00611   0.00468   0.00505   0.00469   0.00531    0.00220

 H13A        0.20775   0.10258   0.48924     1.00000     0.14908
                                             0.00000     0.00000

 H13B        0.09876  -0.06368   0.36693     1.00000     0.14908
                                             0.00000     0.00000

 H13C        0.23948   0.04928   0.43024     1.00000     0.14908
                                             0.00000     0.00000

 C14         0.27427  -0.03504   0.51648     1.00000     0.11768   0.09327   0.11415   0.07942   0.10688   0.09449    0.09301
   0.03675   0.00072   0.00068   0.00071     0.00000     0.00525   0.00458   0.00517   0.00453   0.00498   0.00468    0.00215

 H14A        0.33015  -0.01212   0.59287     1.00000     0.13952
                                             0.00000     0.00000

 H14B        0.31226  -0.02498   0.49168     1.00000     0.13952
                                             0.00000     0.00000

 H14C        0.17226  -0.13480   0.43044     1.00000     0.13952
                                             0.00000     0.00000

 C15         0.03641   0.19941   0.45331     1.00000     0.13925   0.11068   0.08640   0.08941   0.09663   0.10521    0.09532
   0.03701   0.00077   0.00071   0.00066     0.00000     0.00598   0.00518   0.00457   0.00466   0.00496   0.00528    0.00211

 H15A        0.10623   0.21152   0.49122     1.00000     0.14298
                                             0.00000     0.00000

 H15B        0.04273   0.23321   0.42421     1.00000     0.14298
                                             0.00000     0.00000

 H15C       -0.06176   0.09678   0.36916     1.00000     0.14298
                                             0.00000     0.00000

 C16        -0.03481   0.27428   0.51572     1.00000     0.09451   0.12707   0.12507   0.11676   0.08624   0.10018    0.09473
   0.03734   0.00068   0.00074   0.00073     0.00000     0.00463   0.00554   0.00551   0.00530   0.00471   0.00484    0.00220

 H16A       -0.01170   0.33107   0.59203     1.00000     0.14210
                                             0.00000     0.00000

 H16B       -0.13425   0.17224   0.43048     1.00000     0.14210
                                             0.00000     0.00000

 H16C       -0.02583   0.31064   0.48928     1.00000     0.14210
                                             0.00000     0.00000

 C17         0.72240   0.64099   1.11852     1.00000     0.06153   0.06976   0.11525   0.06503   0.06545   0.05502    0.10275
   0.03268   0.00061   0.00063   0.00070     0.00000     0.00394   0.00428   0.00545   0.00447   0.00433   0.00391    0.00238

 H17A        0.63985   0.55527   1.01264     1.00000     0.15413
                                             0.00000     0.00000

 H17B        0.75269   0.62078   1.15519     1.00000     0.15413
                                             0.00000     0.00000

 H17C        0.80303   0.72288   1.15977     1.00000     0.15413
                                             0.00000     0.00000

 C18         0.33443   0.33433   1.06774     1.00000     0.17331   0.17327   0.13215   0.14436   0.14418   0.16377    0.09134
   0.03840   0.00075   0.00074   0.00070     0.00000     0.00665   0.00666   0.00553   0.00590   0.00589   0.00646    0.00219

 H18A        0.40349   0.40645   1.17001     1.00000     0.13700
                                             0.00000     0.00000

 H18B        0.30719   0.25402   1.02492     1.00000     0.13700
                                             0.00000     0.00000

 H18C        0.24774   0.29748   1.01589     1.00000     0.13700
                                             0.00000     0.00000

 C19         0.55162   0.55189   1.09604     1.00000     0.05134   0.04981   0.05331   0.03722   0.03776   0.04760    0.05689
   0.02720   0.00053   0.00052   0.00054     0.00000     0.00309   0.00307   0.00320   0.00294   0.00295   0.00295    0.00140

 C20         0.44623   0.22234   0.70550     1.00000     0.08406   0.07579   0.09125   0.07038   0.08062   0.06873    0.06848
   0.03006   0.00058   0.00057   0.00060     0.00000     0.00419   0.00395   0.00429   0.00393   0.00408   0.00390    0.00156

 H20A        0.45868   0.29227   0.74671     1.00000     0.10272
                                             0.00000     0.00000

 H20B        0.48366   0.23437   0.68040     1.00000     0.10272
                                             0.00000     0.00000

 H20C        0.49951   0.23901   0.77676     1.00000     0.10272
                                             0.00000     0.00000

 C21         0.67824   0.67838   1.16200     1.00000     0.03960   0.04168   0.05205   0.02340   0.02213   0.03127    0.08321
   0.02799   0.00056   0.00056   0.00057     0.00000     0.00321   0.00328   0.00359   0.00313   0.00310   0.00311    0.00189

 H1          0.11756   0.11796   0.77949     1.00000     0.01728
   0.18242   0.00352   0.00352   0.00357     0.00000     0.00815



 Final Structure Factor Calculation for  kla0342_b in R3                                                            

 Total number of l.s. parameters =   369     Maximum vector length =  511      Memory required =   5923 /   27090

 wR2 =  0.1242 before cycle  21 for   8460 data and     2 /   369 parameters


 Summary of restraints applied in cycle   21

                 ANTIBUMP   DFIX     DANG  SAME/SADI  CHIV/Z  CHIV/NZ    FLAT     DELU     SIMU     ISOR     SUMP

        Number       0.       0.       0.      32.       0.       0.       0.       0.       0.       0.       0.

 rms sigma        0.000    0.000    0.000    0.020    0.000    0.000    0.000    0.000    0.000    0.000    0.000

 rms deviation    0.000    0.000    0.000    0.019    0.000    0.000    0.000    0.000    0.000    0.000    0.000


 GooF = S =     0.974;     Restrained GooF =      0.973  for     33 restraints

 Weight = 1 / [ sigma^2(Fo^2) + ( 0.0300 * P )^2 +   0.00 * P ]   where  P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3

 R1 =  0.0662 for   4748 Fo > 4sig(Fo)  and  0.1177 for all   8460 data
 wR2 =  0.1242,  GooF = S =   0.974,  Restrained GooF =    0.973  for all data

 Flack x parameter =   0.0679   with esd  0.0199
 Expected values are 0 (within 3 esd's) for correct and +1 for inverted absolute structure.
 Note that this rough estimate ignores correlation with other parameters; if the
 above value differs significantly from zero, it is ESSENTIAL to test the
 inverted structure or refine x as a full-matrix parameter using TWIN and BASF

 Occupancy sum of asymmetric unit =   37.00 for non-hydrogen and   49.00 for hydrogen atoms



 Principal mean square atomic displacements U

   0.1083   0.0595   0.0495   Si'_a  
   0.2194   0.0991   0.0506   C25'_a  
   0.1926   0.1123   0.0520   C26'_a  
   0.1365   0.1099   0.0642   C27'_a  
   0.1083   0.0595   0.0495   Si_b  
   0.2194   0.0991   0.0506   C25_b  
   0.1926   0.1123   0.0520   C26_b  
   0.1365   0.1099   0.0642   C27_b  
   0.0599   0.0362   0.0329   Fe1  
   0.0663   0.0369   0.0279   B1  
   0.0573   0.0397   0.0311   C1  
   0.1441   0.0553   0.0331   N1  
   0.0466   0.0367   0.0303   N2  
   0.0713   0.0533   0.0336   C2  
   0.0478   0.0394   0.0294   N3  
   0.0616   0.0441   0.0332   C3  
   0.0952   0.0686   0.0323   C24  
   0.0644   0.0364   0.0210   N4  
   0.1099   0.0623   0.0311   C4  
   0.1945   0.0704   0.0538   C22  
   0.0534   0.0356   0.0294   N5  
   0.1474   0.0376   0.0327   C5  
   0.2373   0.1110   0.0452   C23  
   0.0533   0.0342   0.0262   N6  
   0.1132   0.0325   0.0284   C6  
   0.0634   0.0370   0.0260   N7  
   0.1177   0.0583   0.0345   C7  
   0.0607   0.0430   0.0354   C8  
   0.0706   0.0512   0.0337   C9  
   0.0567   0.0417   0.0293   C10  
   0.0702   0.0608   0.0325   C11  
   0.0633   0.0614   0.0323   C12  
   0.1597   0.0907   0.0477   C13  
   0.1510   0.1050   0.0231   C14  
   0.1534   0.0929   0.0396   C15  
   0.1590   0.1022   0.0230   C16  
   0.1872   0.0702   0.0508   C17  
   0.1866   0.0540   0.0334   C18  
   0.1040   0.0499   0.0168   C19  
   0.1002   0.0666   0.0386   C20  
   0.1604   0.0533   0.0359   C21  



 Analysis of variance for reflections employed in refinement      K = Mean[Fo^2] / Mean[Fc^2]  for group


 Fc/Fc(max)       0.000    0.017    0.025    0.032    0.040    0.049    0.061    0.078    0.105    0.161    1.000

 Number in group       917.     803.     859.     850.     797.     868.     842.     834.     842.     848.

            GooF      0.834    0.803    0.825    0.846    0.886    0.921    1.057    1.021    1.019    1.385

             K        5.912    2.255    1.621    1.239    1.082    1.024    1.010    1.008    1.013    1.004


 Resolution(A)    0.76     0.79     0.83     0.86     0.91     0.97     1.04     1.15     1.32     1.64     inf

 Number in group       882.     846.     816.     856.     840.     850.     852.     834.     834.     850.

            GooF      0.894    0.851    0.876    0.881    0.876    0.941    0.924    0.929    0.999    1.431

             K        1.737    1.486    1.171    1.119    1.082    1.031    1.023    1.022    1.004    1.006

             R1       0.432    0.354    0.254    0.222    0.174    0.124    0.098    0.063    0.041    0.033


 Recommended weighting scheme:  WGHT      0.0440      0.0000
 Note that in most cases convergence will be faster if fixed weights (e.g. the
 default WGHT 0.1) are retained until the refinement is virtually complete, and
 only then should the above recommended values be used.



 Most Disagreeable Reflections (* if suppressed or used for Rfree)

     h   k   l        Fo^2         Fc^2   Delta(F^2)/esd  Fc/Fc(max)  Resolution(A)

    -2   0   2      20274.32      14848.08       6.95       0.717       7.76
     0  -2   2      20236.92      14848.06       6.37       0.717       7.76
    -2  -2   3       1172.02       1475.91       5.71       0.226       4.72
    -3  -1   4       1962.81       1604.80       5.18       0.236       4.31
    -4   1   3       2133.93       1762.69       5.13       0.247       4.31
    -1  -3   4       1975.91       1562.03       5.09       0.233       4.31
    -1  -1   2       6452.29       7819.04       5.02       0.520       8.97
     1  -4   3       2137.64       1804.31       4.77       0.250       4.31
    -3  -3   4        804.91       1035.08       4.33       0.189       3.03
    -2   1   1       7052.81       8236.29       4.32       0.534       8.97
    -4   3   3        836.15       1072.75       4.29       0.193       3.03
    -5   1   1        250.52        138.00       4.15       0.069       2.64
     1  -3   2       2406.10       2046.93       4.13       0.266       5.87
    -3  -2   5        701.35        870.22       4.09       0.174       3.56
     2  -4   6         67.66        138.48       4.05       0.069       1.92
    -2  -3   5        714.18        855.86       3.97       0.172       3.56
   -10 -10  22        335.38        132.15       3.95       0.068       0.83
    -6  -6   8       2106.10       2523.22       3.85       0.296       1.51
    -5   3   3      24298.73      21220.57       3.68       0.857       # SQUEEZE RESULTS (Az3 "( DA7RYQ:
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  $     Ea;u 
2avgo	*ha   Uo ?w       Uq*c  ;hu  Rs
>c      *-sp* 2    0.549194    0.409709    0.672372    21.00000   -1.50000
AFIX   0
C27'  1    0.287179    0.285738    0.476192    21.00000    0.10745    0.10798 =
         0.10817    0.09329    0.09326    0.08363
AFIX 137
H27A  2    0.200229    0.247122    0.428802    21.00000   -1.50000
H27B  2    0.263304    0.207571    0.434500    21.00000   -1.50000
H27C  2    0.323009    0.326548    0.461209    21.00000   -1.50000
AFIX   0
PART   2
SI    5    0.508084    0.508097    0.764200   -21.00000    0.09667    0.09809 =
         0.10648    0.09298    0.09203    0.08687
C25   1    0.422568    0.517628    0.672014   -21.00000    0.18372    0.18598 =
         0.21622    0.19092    0.18502    0.16806
AFIX 137
H25D  2    0.417705    0.565418    0.718760   -21.00000   -1.50000
H25E  2    0.324424    0.419393    0.569895   -21.00000   -1.50000
H25F  2    0.480300    0.573117    0.678582   -21.00000   -1.50000
AFIX   0
C26   1    0.518304    0.421785    0.672778   -21.00000    0.16583    0.16283 =
         0.18837    0.15658    0.16740    0.14721
AFIX 137
H26D  2    0.421159    0.318185    0.576790   -21.00000   -1.50000
H26E  2    0.582150    0.434288    0.731078   -21.00000   -1.50000
H26F  2    0.556984    0.467437    0.662331   -21.00000   -1.50000
AFIX   0
C27   1    0.699048    0.697852    0.949447   -21.00000    0.10745    0.10798 =
         0.10817    0.09329    0.09326    0.08363
AFIX 137
H27D  2    0.701614    0.750735    1.003411   -21.00000   -1.50000
H27E  2    0.744233    0.744751    0.943153   -21.00000   -1.50000
H27F  2    0.752149    0.698280    0.999608   -21.00000   -1.50000
AFIX   0
PART   0
FE1   6    0.320912    0.320867    0.757806    11.00000    0.05347    0.05342 =
         0.05979    0.05015    0.05015    0.04763
B1    3    0.172868    0.173467    0.771238    11.00000    0.06013    0.05902 =
         0.06516    0.05542    0.05710    0.05437
C1    1    0.224473    0.049170    0.604971    11.00000    0.03861    0.03747 =
         0.03512    0.02623    0.02960    0.03096
N1    4    0.402728    0.402157    0.743670    11.00000    0.11737    0.11631 =
         0.14343    0.12207    0.12242    0.10708
N2    4    0.240021    0.141035    0.676048    11.00000    0.04621    0.04453 =
         0.04279    0.03732    0.03902    0.03927
C2    1    0.148536   -0.057477    0.575601    11.00000    0.04934    0.03803 =
         0.05418    0.03537    0.04054    0.03591
AFIX  43
H2A   2    0.123934   -0.134416    0.527881    11.00000   -1.20000
AFIX   0
N3    4    0.141185    0.240325    0.675975    11.00000    0.04410    0.04762 =
         0.04444    0.04015    0.03733    0.04020
C3    1    0.115684   -0.029950    0.629290    11.00000    0.04732    0.04472 =
         0.05700    0.04329    0.04279    0.03953
C24   1    0.222609    0.445924    0.705527    11.00000    0.07827    0.08502 =
         0.08731    0.08033    0.07044    0.07105
AFIX 137
H24A  2    0.241214    0.498646    0.778822    11.00000   -1.50000
H24B  2    0.234087    0.485165    0.682062    11.00000   -1.50000
H24C  2    0.291558    0.456912    0.743358    11.00000   -1.50000
AFIX   0
N4    4    0.422342    0.422196    0.951104    11.00000    0.03895    0.03715 =
         0.03695    0.02764    0.02869    0.03432
C4    1    0.037134   -0.108780    0.629297    11.00000    0.07566    0.05949 =
         0.10169    0.07035    0.07607    0.05812
AFIX 137
H4A   2   -0.041568   -0.133497    0.587437    11.00000   -1.50000
H4B   2    0.104913   -0.046544    0.729001    11.00000   -1.50000
H4C   2   -0.003180   -0.197720    0.571457    11.00000   -1.50000
AFIX   0
C22   1    0.639814    0.721709    1.117657    11.00000    0.07209    0.06750 =
         0.12117    0.07111    0.06793    0.05920
AFIX 137
H22A  2    0.553032    0.638371    1.011709    11.00000   -1.50000
H22B  2    0.720725    0.801199    1.157216    11.00000   -1.50000
H22C  2    0.621028    0.753360    1.155597    11.00000   -1.50000
AFIX   0
N5    4    0.172034    0.090664    0.690789    11.00000    0.04884    0.04366 =
         0.05279    0.04245    0.04451    0.04029
C5    1    0.540916    0.540723    1.163502    11.00000    0.08261    0.08360 =
         0.03898    0.04476    0.04413    0.07650
AFIX  43
H5A   2    0.615574    0.614892    1.264763    11.00000   -1.20000
AFIX   0
C23   1    0.809711    0.809370    1.328714    11.00000    0.05505    0.05632 =
         0.06987    0.02657    0.02637    0.03610
AFIX 137
H23A  2    0.842927    0.787868    1.360602    11.00000   -1.50000
H23B  2    0.781492    0.828790    1.359921    11.00000   -1.50000
H23C  2    0.888226    0.894664    1.371521    11.00000   -1.50000
AFIX   0
N6    4    0.090629    0.172275    0.690626    11.00000    0.04338    0.04633 =
         0.05324    0.04376    0.04312    0.03912
C6    1    0.403605    0.403795    1.056024    11.00000    0.08831    0.09166 =
         0.05463    0.06303    0.06260    0.08473
N7    4    0.330611    0.330397    0.926013    11.00000    0.05762    0.06065 =
         0.05182    0.04973    0.04823    0.05449
C7    1   -0.108696    0.037784    0.629837    11.00000    0.06806    0.07376 =
         0.10905    0.07804    0.07843    0.06157
AFIX 137
H7A   2   -0.136068   -0.042745    0.585724    11.00000   -1.50000
H7B   2   -0.196064    0.000081    0.574321    11.00000   -1.50000
H7C   2   -0.045251    0.105347    0.729889    11.00000   -1.50000
AFIX   0
C8    1   -0.029911    0.115612    0.629187    11.00000    0.04727    0.05225 =
         0.05927    0.04768    0.04560    0.04307
C9    1   -0.057739    0.147714    0.575276    11.00000    0.04157    0.05042 =
         0.05122    0.03955    0.03566    0.03923
AFIX  43
H9A   2   -0.135360    0.122105    0.526699    11.00000   -1.20000
AFIX   0
C10   1    0.049137    0.224615    0.605353    11.00000    0.03779    0.04122 =
         0.03793    0.03237    0.02790    0.03299
C11   1    0.070902    0.288212    0.571234    11.00000    0.05370    0.06252 =
         0.05764    0.05234    0.04357    0.05018
C12   1    0.287108    0.070231    0.570750    11.00000    0.06090    0.05519 =
         0.04893    0.04137    0.04801    0.04877
C13   1    0.200580    0.036613    0.453899    11.00000    0.10654    0.13960 =
         0.08623    0.09458    0.08629    0.10252
AFIX 137
H13A  2    0.207750    0.102579    0.489243    11.00000   -1.50000
H13B  2    0.098764   -0.063675    0.366933    11.00000   -1.50000
H13C  2    0.239482    0.049278    0.430242    11.00000   -1.50000
AFIX   0
C14   1    0.274272   -0.035040    0.516475    11.00000    0.11768    0.09327 =
         0.11415    0.07942    0.10688    0.09449
AFIX 137
H14A  2    0.330152   -0.012116    0.592874    11.00000   -1.50000
H14B  2    0.312260   -0.024981    0.491677    11.00000   -1.50000
H14C  2    0.172259   -0.134801    0.430443    11.00000   -1.50000
AFIX   0
C15   1    0.036409    0.199409    0.453306    11.00000    0.13925    0.11068 =
         0.08640    0.08941    0.09663    0.10521
AFIX 137
H15A  2    0.106232    0.211515    0.491222    11.00000   -1.50000
H15B  2    0.042728    0.233206    0.424209    11.00000   -1.50000
H15C  2   -0.061765    0.096782    0.369162    11.00000   -1.50000
AFIX   0
C16   1   -0.034812    0.274276    0.515720    11.00000    0.09451    0.12707 =
         0.12507    0.11676    0.08624    0.10018
AFIX 137
H16A  2   -0.011702    0.331067    0.592031    11.00000   -1.50000
H16B  2   -0.134252    0.172237    0.430482    11.00000   -1.50000
H16C  2   -0.025827    0.310645    0.489282    11.00000   -1.50000
AFIX   0
C17   1    0.722396    0.640988    1.118515    11.00000    0.06153    0.06976 =
         0.11525    0.06503    0.06545    0.05502
AFIX 137
H17A  2    0.639851    0.555275    1.012636    11.00000   -1.50000
H17B  2    0.752689    0.620778    1.155192    11.00000   -1.50000
H17C  2    0.803030    0.722877    1.159767    11.00000   -1.50000
AFIX   0
C18   1    0.334425    0.334329    1.067739    11.00000    0.17331    0.17327 =
         0.13215    0.14436    0.14418    0.16377
AFIX 137
H18A  2    0.403495    0.406453    1.170008    11.00000   -1.50000
H18B  2    0.307185    0.254016    1.024915    11.00000   -1.50000
H18C  2    0.247741    0.297479    1.015891    11.00000   -1.50000
AFIX   0
C19   1    0.551617    0.551892    1.096035    11.00000    0.05134    0.04981 =
         0.05331    0.03722    0.03776    0.04760
C20   1    0.446227    0.222339    0.705500    11.00000    0.08406    0.07579 =
         0.09125    0.07038    0.08062    0.06873
AFIX 137
H20A  2    0.458681    0.292266    0.746709    11.00000   -1.50000
H20B  2    0.483660    0.234367    0.680403    11.00000   -1.50000
H20C  2    0.499507    0.239007    0.776757    11.00000   -1.50000
AFIX   0
C21   1    0.678242    0.678377    1.161998    11.00000    0.03960    0.04168 =
         0.05205    0.02340    0.02213    0.03127
H1    2    0.117561    0.117963    0.779494    11.00000    0.01728
 
HKLF 4
 
REM  kla0342_b in R3
REM R1 =  0.0662 for   4748 Fo > 4sig(Fo)  and  0.1177 for all   8460 data
REM    369 parameters refined using     33 restraints
 
END  
     
WGHT      0.0440      0.0000 
REM Highest difference peak  0.633,  deepest hole -0.264,  1-sigma level  0.050
Q1    1   0.2118  0.2113  0.6383  11.00000  0.05    0.63
Q2    1   0.4309  0.4313  0.8627  11.00000  0.05    0.54
Q3    1   1.0138  1.0199  1.5381  11.00000  0.05    0.24
Q4    1   0.2524  0.3480  0.7768  11.00000  0.05    0.21
Q5    1   0.8980  0.9312  1.4318  11.00000  0.05    0.21
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                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   6    3    3     -0.17      0.03
   -1    2   -1     16.30     -1.29
   -1   -1    2     16.30     -1.29
   -1    2   -1     16.30     -1.29
    2   -1   -1     16.30     -1.29
    1    1   -2     16.30      1.29
    1    1   -2     16.30      1.29
   -2    1    1     16.30      1.29
   -2    1    1     16.30      1.29
    1   -2    1     16.30      1.29
   -2    2    0     13.84     -0.34
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   -000
   2   8 -10    3777     316                                                        3913   -0.04   -0.60  1.0000
   2   8 -10    3526     503                                                        3658   -0.04   -0.60  1.0000
  -7  11  -4    1539     323                                                        1407   -0.56    0.80  1.0000
  11  -4  -7    1503     310                                                        1373   -0.56    0.79  1.0000
  11  -4  -7    1670     276                                                        1533   -0.56    0.79  1.0000
  -4  -7  11    1782     336                                                        1640   -0.56    0.80  1.0000
  -4  -7  11    1942     275                                                        1794   -0.56    0.80  1.0000
  -7  11  -4    1404     143                                                        1278   -0.56    0.80  1.0000
   7 -11   4    1687     282                                                        1547   -0.56   -0.80  1.0000
   4   7 -11    1934     341                                                        1784   -0.56   -0.80  1.0000
   7 -11   4    1699     354                                                        1558   -0.56   -0.80  1.0000
 -11   4   7    1422     226                                                        1294   -0.56   -0.79  1.0000
 -11   4   7    2064     368                                                        1909   -0.56   -0.79  1.0000
  -6  -6  12    1467     291                                                        1500   -0.17    0.34  1.0000
  -6  12  -6     763     268                                                         787   -0.17    0.34  1.0000
  12  -6  -6    1038     230                                                        1066   -0.17    0.34  1.0000
  12  -6  -6    1219     304                                                        1249   -0.17    0.34  1.0000
  -6  12  -6    1144     312                                                        1173   -0.17    0.34  1.0000
   6 -12   6     734     243                                                         758   -0.17   -0.34  1.0000
 -12   6   6     715     196                                                         739   -0.17   -0.34  1.0000
 -12   6   6     601     248                                                         623   -0.17   -0.34  1.0000
   6   6 -12     609     257                                                         631   -0.17   -0.34  1.0000
 -12   7   5    1845     340                                                        1837   -0.04   -0.67  1.0000
   7   5 -12    1673     358                                                        1666   -0.04   -0.67  1.0000
 -12   7   5    1338     311                                                        1331   -0.04   -0.67  1.0000
   7   5 -12    1657     364                                                        1650   -0.04   -0.67  1.0000
   5 -12   7    1279     289                                                        1272   -0.04   -0.67  1.0000
  12  -7  -5    1287     250                                                        1288   -0.04    0.67  1.0000
  -5  12  -7    1338     316                                                        1340   -0.04    0.67  1.0000
  12  -7  -5    1679     349                                                        1681   -0.04    0.67  1.0000
  -5  12  -7    1214     319                                                        1215   -0.04    0.67  1.0000
  -7  -5  12    1540     306                                                        1542   -0.04    0.67  1.0000
   8   3 -11    1732     349                                                        1665   -0.33   -0.75  1.0000
   3 -11   8    1645     317                                                        1580   -0.33   -0.76  1.0000
 -11   8   3    1777     344                                                        1709   -0.34   -0.76  1.0000
   8   3 -11    1844     352                                                        1775   -0.33   -0.75  1.0000
 -11   8   3    1750     316                                                        1683   -0.34   -0.76  1.0000
  -8  -3  11    2396     379                                                        2317   -0.33    0.75  1.0000
  -3  11  -8    2148     356                                                        2073   -0.33    0.76  1.0000
  -3  11  -8    1987     363                                                        1915   -0.33    0.76  1.0000
  11  -8  -3    2335     382                                                        2257   -0.34    0.76  1.0000
  11  -8  -3    2133     307                                                        2058   -0.34    0.76  1.0000
   9   1 -10    4948     567                                                        4878    0.30   -0.20  1.0000
   1 -10   9    5042     472                                                        4972    0.30   -0.20  1.0000
 -10   9   1    4773     412                                                        4705    0.29   -0.20  1.0000
   1 -10   9    4590     291                                                        4523    0.30   -0.20  1.0000
   9   1 -10    4907     489                                                        4838    0.30   -0.20  1.0000
 -10   9   1    4716     572                                                        4648    0.29   -0.20  1.0000
  10  -9  -1    4668     406                                                        4599    0.29    0.20  1.0000
  -9  -1  10    5201     588                                                        5128    0.30    0.20  1.0000
  10  -9  -1    4877     489                                                        4806    0.29    0.20  1.0000
  -1  10  -9    4980     494                                                        4908    0.30    0.20  1.0000
  -1  10  -9    5816     462                                                        5739    0.30    0.20  1.0000
  -9  10  -1    5093     389                                                        5027    0.27    0.24  1.0000
  10  -1  -9    5189     593                                                        5123    0.27    0.23  1.0000
  -9  10  -1    4850     598                                                        4786    0.27    0.24  1.0000
  -1  -9  10    5079     485                                                        5014    0.27    0.24  1.0000
  -1  -9  10    5641     371                                                        5572    0.27    0.24  1.0000
  10  -1  -9    5168     579                                                        5102    0.27    0.23  1.0000
 -10   1   9    4844     588                                                        4781    0.27   -0.23  1.0000
   9 -10   1    5540     449                                                        5473    0.27   -0.24  1.0000
   9 -10   1    5290     508                                                        5225    0.27   -0.24  1.0000
   1   9 -10    5383     414                                                        5317    0.27   -0.24  1.0000
   1   9 -10    5324     517                                                        5258    0.27   -0.24  1.0000
  -8  11  -3    1655     340                                                        1578   -0.32    0.74  1.0000
  11  -3  -8    1928     325                                                        1846   -0.32    0.73  1.0000
  11  -3  -8    2256     384                                                        2167   -0.32    0.73  1.0000
  -8  11  -3    1916     212                                                        1834   -0.32    0.74  1.0000
  -3  -8  11    2561     308                                                        2466   -0.33    0.73  1.0000
  -3  -8  11    2314     376                                                        2224   -0.33    0.73  1.0000
   3   8 -11    2270     257                                                        2185   -0.33   -0.73  1.0000
   8 -11   3    2161     322                                                        2078   -0.32   -0.74  1.0000
 -11   3   8    2115     270                                                        2034   -0.32   -0.73  1.0000
   8 -11   3    2095     362                                                        2013   -0.32   -0.74  1.0000
   3   8 -11    2261     399                                                        2177   -0.33   -0.73  1.0000
 -11   3   8    2050     391                                                        1970   -0.32   -0.73  1.0000
  12  -5  -7    1435     272                                                        1394   -0.32    0.35  1.0000
  -5  -7  12    1629     281                                                        1585   -0.32    0.35  1.0000
  12  -5  -7    1384     328                                                        1344   -0.32    0.35  1.0000
  -7  12  -5    1075     295                                                        1039   -0.32    0.35  1.0000
  -5  -7  12    1804     374                                                        1758   -0.32    0.35  1.0000
   7 -12   5     698     379                                                         667   -0.32   -0.35  1.0000
   5   7 -12    1373     331                                                        1329   -0.32   -0.35  1.0000
 -12   5   7    1489     332                                                        1443   -0.32   -0.35  1.0000
   7 -12   5    1389     288                                                        1345   -0.32   -0.35  1.0000
 -12   5   7    1323     245                                                        1280   -0.32   -0.35  1.0000
   6 -13   7     673     252                                                         655    0.24   -0.23  1.0000
 -13   7   6     813     264                                                         794    0.23   -0.24  1.0000
   7   6 -13     278     217                                                         267    0.24   -0.23  1.0000
 -13   7   6     851     237                                                         832    0.23   -0.24  1.0000
  -6  13  -7     612     240                                                         595    0.24    0.23  1.0000
  -6  13  -7     926     274                                                         905    0.24    0.23  1.0000
  13  -7  -6     838     202                                                         818    0.23    0.24  1.0000
  -7  -6  13     643     230                                                         625    0.24    0.23  1.0000
  13  -7  -6     811     281                                                         792    0.23    0.24  1.0000
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   8   4 -12    3933     527                                                        3970   -0.26   -0.36  1.0000
   8   4 -12    4330     575                                                        4369   -0.26   -0.36  1.0000
 -12   8   4    3877     521                                                        3914   -0.26   -0.37  1.0000
   4 -12   8    3643     469                                                        3679   -0.26   -0.36  1.0000
  -4  12  -8    3705     532                                                        3738   -0.26    0.36  1.0000
  12  -8  -4    2870     386                                                        2899   -0.26    0.37  1.0000
  -8  -4  12    3650     495                                                        3683   -0.26    0.36  1.0000
  12  -8  -4    3424     517                                                        3456   -0.26    0.37  1.0000
  -4  12  -8    3509     497                                                        3541   -0.26    0.36  1.0000
   9   2 -11    5566     516                                                        5439   -0.16   -0.68  1.0000
   2 -11   9    5208     500                                                        5085   -0.16   -0.69  1.0000
   9   2 -11    5450     538                                                        5324   -0.16   -0.68  1.0000
 -11   9   2    5099     599                                                        4976   -0.17   -0.68  1.0000
 -11   9   2    5008     447                                                        4886   -0.17   -0.68  1.0000
  11  -9  -2    5340     616                                                        5222   -0.17    0.68  1.0000
  -9  -2  11    4703     578                                                        4593   -0.16    0.68  1.0000
  -2  11  -9    5602     545                                                        5482   -0.16    0.69  1.0000
  11  -9  -2    4850     427                                                        4738   -0.17    0.68  1.0000
  -2  11  -9    5949     499                                                        5826   -0.16    0.69  1.0000
   0 -10  10     198      81                                                         237    0.72   -0.25  1.0000
  10   0 -10     188     177                                                         226    0.72   -0.25  1.0000
   0 -10  10     293     182                                                         340    0.72   -0.25  1.0000
 -10  10   0     325     201                                                         375    0.72   -0.25  1.0000
 -10  10   0     214     132                                                         255    0.72   -0.25  1.0000
  10   0 -10     116     176                                                         146    0.72   -0.25  1.0000
   0  10 -10     244     151                                                         286    0.72    0.25  1.0000
  10 -10   0     265     158                                                         309    0.72    0.25  1.0000
   0  10 -10     203     166                                                         242    0.72    0.25  1.0000
 -10   0  10     582     242                                                         647    0.72    0.25  1.0000
  10 -10   0      77     160                                                         101    0.72    0.25  1.0000
  -2  -9  11    6654     423                                                        6564   -0.03    0.64  1.0000
  11  -2  -9    5023     571                                                        4946   -0.03    0.64  1.0000
  -9  11  -2    4710     370                                                        4635   -0.03    0.64  1.0000
  -2  -9  11    5522     531                                                        5440   -0.03    0.64  1.0000
  11  -2  -9    4745     588                                                        4670   -0.03    0.64  1.0000
  -9  11  -2    5098     632                                                        5020   -0.03    0.64  1.0000
   2   9 -11    6207     567                                                        6112   -0.03   -0.64  1.0000
 -11   2   9    5002     616                                                        4918   -0.03   -0.64  1.0000
   2   9 -11    5822     415                                                        5730   -0.03   -0.64  1.0000
   9 -11   2    5558     542                                                        5469   -0.03   -0.64  1.0000
   9 -11   2    5281     460                                                        5194   -0.03   -0.64  1.0000
  -4  -8  12    3936     363                                                        3966   -0.51    0.46  1.0000
  -8  12  -4    3137     227                                                        3164   -0.51    0.46  1.0000
  12  -4  -8    3964     544                                                        3994   -0.51    0.46  1.0000
  12  -4  -8    3483     449                                                        3511   -0.51    0.46  1.0000
  -8  12  -4    3486     530                                                        3514   -0.51    0.46  1.0000
  -4  -8  12    4714     575                                                        4746   -0.51    0.46  1.0000
   8 -12   4    3182     492                                                        3209   -0.51   -0.46  1.0000
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   10    0   -9      0.54     -0.31
   -9   10    0      0.54     -0.31
    0   -9   10      0.54     -0.31
   -9   10    0      0.54     -0.31
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    1    7   -9      0.08     -0.32
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   -9    1    7      0.08     -0.32
    7   -9    1      0.08     -0.32
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    9   -1   -7      0.08      0.32
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   -7    9   -1      0.08      0.32
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   -8    2    5      0.36     -0.78
    2    5   -8      0.35     -0.78
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    8   -2   -5      0.36      0.78
    8   -2   -5      0.36      0.78
   -2   -5    8      0.35      0.78
   -2   -5    8      0.35      0.78
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   -5    8   -2      0.35      0.78
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   -7    3    3     -0.95     -0.10
    3    3   -7     -0.95     -0.10
   -7    3    3     -0.95     -0.10
    3    3   -7     -0.95     -0.10
   -3    7   -3     -0.95      0.10
   -3    7   -3     -0.95      0.10
    7   -3   -3     -0.95      0.10
   -3    7   -3     -0.95      0.10
   -3   -3    7     -0.95      0.10
    7   -3   -3     -0.95      0.10
   -3   -3    7     -0.95      0.10
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    4    1   -6      0.29      0.28
   -6    4    1      0.29      0.28
    4    1   -6      0.29      0.28
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   -1    6   -4      0.29     -0.28
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    1    5   -5      1.53      0.31
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    6   -3   -4      1.36     -0.33
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   -4    6   -3      1.36     -0.33
   -6    3    4      1.36      0.33
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    3    4   -6      1.36      0.33
   -6    3    4      1.36      0.33
    3    4   -6      1.36      0.33
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   -3    7   -5      0.63      0.29
    7   -5   -3      0.63      0.29
   -5   -3    7      0.63      0.29
   -3    7   -5      0.63      0.29
   -7    5    3      0.63     -0.29
    3   -7    5      0.63     -0.29
    5    3   -7      0.63     -0.29
   -7    5    3      0.63     -0.29
    5    3   -7      0.63     -0.29
    8   -7   -2     -0.12     -0.14
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    8   -7   -2     -0.12     -0.14
   -7   -2    8     -0.12     -0.14
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   10  -11    0      0.69      0.51
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   11    0  -10      0.69     -0.51
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   11    0  -10      0.69     -0.51
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   10   -1   -8      0.29      0.25
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    2    6   -9      0.37     -0.27
   -9    2    6      0.37     -0.28
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   -8    3    4     -0.35     -0.06
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   -7    4    2     -0.72     -0.65
   -7    4    2     -0.72     -0.65
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    5    0   -6      1.96     -0.68
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   -5    6   -2      1.32      0.20
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    2    5   -6      1.32     -0.20
    2    5   -6      1.32     -0.20
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    2    5   -6      1.32     -0.20
   -6    2    5      1.32     -0.21
   -4    7   -4      0.49      0.22
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    7   -4   -4      0.49      0.22
    7   -4   -4      0.49      0.22
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   -7    4    4      0.49     -0.22
    4    4   -7      0.49     -0.22
    4    4   -7      0.49     -0.22
   -7    4    4      0.49     -0.22
   -6   -3    8      0.37      0.12
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   -3    8   -6      0.37      0.12
   -3    8   -6      0.37      0.12
    8   -6   -3      0.37      0.12
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!7750.380#!>2<.2>=2930-1NNNNNNNNNNNNHOIOJOKOLOMONOOOPOQOROSOTOUOVOWOXOYOZO[O\O]O^O_O`ObOcOdOeOfOgOhOiOjOkOlOmOnOoOpOqOrOsOtOuOvOwOxOyOzO{O|O}O~OO                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                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                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    -0.35      0.47
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  -21   10   13      0.10     -0.07
  -12  -12   22     -0.44      0.06
  -12   22  -12     -0.45      0.06
   22  -12  -12     -0.44      0.06
   12  -22   12     -0.45     -0.06
   12   12  -22     -0.44     -0.06
  -22   12   12     -0.44     -0.06
   12  -22   12     -0.45     -0.06
  -23   12    9     -0.18      0.09
   12    9  -23     -0.18      0.09
    9  -23   12     -0.17      0.09
  -12   -9   23     -0.18     -0.09
  -12   -9   23     -0.18     -0.09
   -9   23  -12     -0.17     -0.09
   23  -12   -9     -0.18     -0.09
    7  -22   13      0.25     -0.90
   13    7  -22      0.25     -0.90
    7  -22   13      0.25     -0.90
   22  -13   -7      0.25      0.90
  -13   -7   22      0.25      0.90
   -7   22  -13      0.25      0.90
  -13   -7   22      0.25      0.90
    5  -21   14      0.02      0.52
  -21   14    5      0.02      0.53
   14    5  -21      0.02      0.52
   -5   21  -14      0.02     -0.52
  -14   -5   21      0.02     -0.52
  -14   -5   21      0.02     -0.52
   -5   21  -14      0.02     -0.52
   21  -14   -5      0.02     -0.53
  -20   15    3     -0.35      0.61
   15    3  -20     -0.35      0.61
    3  -20   15     -0.35      0.61
   -3   20  -15     -0.35     -0.61
  -15   -3   20     -0.35     -0.61
   20  -15   -3     -0.35     -0.61
  -15   -3   20     -0.35     -0.61
   -3   20  -15     -0.35     -0.61
  -19   16    1      0.19      0.10
    1  -19   16      0.19      0.10
   16    1  -19      0.19      0.10
   -1   19  -16      0.19     -0.10
  -16   -1   19      0.19     -0.10
   19  -16   -1      0.19     -0.10
   19  -16   -1      0.19     -0.10
   -1  -18   17     -0.07     -0.46
   17   -1  -18     -0.07     -0.46
  -18   17   -1     -0.06     -0.46
   18  -17    1     -0.06      0.46
    1   18  -17     -0.07      0.46
  -17    1   18     -0.07      0.46
   18  -17    1     -0.06      0.46
   18   -3  -17     -0.76     -0.42
  -17   18   -3     -0.76     -0.42
   -3  -17   18     -0.77     -0.42
    3   17  -18     -0.77      0.42
   17  -18    3     -0.76      0.42
  -18    3   17     -0.76      0.42
   17  -18    3     -0.76      0.42
   -5  -16   19     -0.98     -0.64
  -16   19   -5     -0.98     -0.65
   19   -5  -16     -0.97     -0.64
  -19    5   16     -0.97      0.64
    5   16  -19     -0.98      0.64
   16  -19    5     -0.98      0.65
   16  -19    5     -0.98      0.65
   20   -7  -15     -0.02     -0.35
   -7  -15   20     -0.02     -0.34
  -15   20   -7     -0.02     -0.35
   15  -20    7     -0.02      0.35
    7   15  -20     -0.02      0.34
  -20    7   15     -0.02      0.35
   15  -20    7     -0.02      0.35
   21   -9  -14      0.21     -0.06
   -9  -14   21      0.21     -0.05
  -14   21   -9      0.21     -0.05
   14  -21    9      0.21      0.05
  -21    9   14      0.21      0.06
   14  -21    9      0.21      0.05
    9   14  -21      0.21      0.05
   22  -11  -13     -0.38      0.04
  -13   22  -11     -0.39      0.04
  -11  -13   22     -0.38      0.04
   11   13  -22     -0.38     -0.04
   13  -22   11     -0.39     -0.04
  -22   11   13     -0.38     -0.04
   13  -22   11     -0.39     -0.04
   13    8  -23      0.12     -0.60
    8  -23   13      0.12     -0.60
   -8   23  -13      0.12      0.60
   23  -13   -8      0.12      0.60
  -13   -8   23      0.12      0.60
  -13   -8   23      0.12      0.60
   14    6  -22      0.11     -0.37
  -22   14    6      0.11     -0.37
    6  -22   14      0.11     -0.37
  -14   -6   22      0.11      0.37
  -14   -6   22      0.11      0.37
   -6   22  -14      0.11      0.37
   22  -14   -6      0.11      0.37
  -21   15    4      0.02      0.96
   15    4  -21      0.02      0.96
    4  -21   15      0.02      0.96
   -4   21  -15      0.02     -0.96
   21  -15   -4      0.02     -0.96
  -15   -4   21      0.02     -0.96
   -4   21  -15      0.02     -0.96
  -15   -4   21      0.02     -0.96
    2  -20   16     -0.14      0.71
  -20   16    2     -0.15      0.71
   16    2  -20     -0.15      0.71
   20  -16   -2     -0.15     -0.71
   -2   20  -16     -0.14     -0.71
  -16   -2   20     -0.15     -0.71
  -16   -2   20     -0.15     -0.71
    0  -19   17      0.01     -0.40
   17    0  -19      0.01     -0.40
  -19   17    0      0.01     -0.40
   19  -17    0      0.01      0.40
    0   19  -17      0.01      0.40
  -17    0   19      0.01      0.40
   19  -17    0      0.01      0.40
   -2  -18   18     -0.61     -0.73
   18   -2  -18     -0.60     -0.72
  -18   18   -2     -0.60     -0.72
  -18    2   18     -0.60      0.72
    2   18  -18     -0.61      0.73
   18  -18    2     -0.60      0.72
   18  -18    2     -0.60      0.72
  -17   19   -4     -0.79     -0.92
   -4  -17   19     -0.79     -0.92
   19   -4  -17     -0.78     -0.91
   17  -19    4     -0.79      0.92
    4   17  -19     -0.79      0.92
   17  -19    4     -0.79      0.92
  -19    4   17     -0.78      0.91
   20   -6  -16     -0.51     -0.20
  -16   20   -6     -0.52     -0.20
   -6  -16   20     -0.52     -0.20
  -20    6   16     -0.51      0.20
   16  -20    6     -0.52      0.20
   16  -20    6     -0.52      0.20
    6   16  -20     -0.52      0.20
   21   -8  -15     -0.01     -0.22
  -15   21   -8     -0.01     -0.22
   -8  -15   21     -0.01     -0.22
   15  -21    8     -0.01      0.22
   15  -21    8     -0.01      0.22
  -21    8   15     -0.01      0.22
    8   15  -21     -0.01      0.22
  -14   22  -10      0.08     -0.05
   22  -10  -14      0.08     -0.05
  -10  -14   22      0.08     -0.05
  -22   10   14      0.08      0.05
   14  -22   10      0.08      0.05
   14  -22   10      0.08      0.05
   10   14  -22      0.08      0.05
    7  -23   14      0.08     -0.76
    7  -23   14      0.08     -0.76
   14    7  -23      0.0# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_kla0380_a 
_shelx_title ' kla0380 in P2(1)/n' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      269.21 
_exptl_crystal_F_000      1340.00 
_reflns_d_resolution_high  0.8000 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a    10.6959 
_cell_length_b    20.9045 
_cell_length_c    15.8713 
_cell_angle_alpha  90.000 
_cell_angle_beta   92.326 
_cell_angle_gamma  90.000 
 
_shelx_F_squared_multiplier     1.000 
 
loop_ 
 _refln_index_h 
 _refln_index_k 
 _refln_index_l 
 _refln_F_squared_calc 
 _refln_F_squared_meas 
 _refln_F_squared_sigma 
 _refln_observed_status 
   2   0   0    22292.74    23869.99    207.74 o 
   4   0   0     2999.84     2399.88     30.73 o 
   6   0   0      508.45      526.27     13.64 o 
   8   0   0       49.68       43.52      6.55 o 
  10   0   0       13.48       46.80      9.99 o 
  12   0   0      313.32      307.59     25.11 o 
   1   1   0      213.25      170.01      2.13 o 
   2   1   0     3532.30     3791.20     27.03 o 
   3   1   0     1417.17     1214.71     13.17 o 
   4   1   0    12396.82    12369.54     89.14 o 
   5   1   0     2061.88     2098.20     20.78 o 
   6   1   0       70.05       34.80      3.59 o 
   7   1   0       65.60       75.65      5.06 o 
   8   1   0       68.01       52.69      4.91 o 
   9   1   0        8.93        5.95      4.33 o 
  10   1   0     1938.93     2024.04     30.45 o 
  11   1   0      201.54      241.78     19.05 o 
  12   1   0       12.41       13.70      7.94 o 
  13   1   0      169.61      135.88     17.58 o 
   0   2   0    50198.24    49718.88    392.04 o 
   1   2   0     2353.14     2735.30     17.55 o 
   2   2   0    10887.70    10951.94     77.08 o 
   3   2   0     8889.30     9805.83     75.33 o 
   4   2   0     4193.11     5205.33     41.17 o 
   5   2   0        1.72       46.55      3.55 o 
   6   2   0     2475.82     2689.66     28.25 o 
   7   2   0      998.14     1271.90     16.89 o 
   8   2   0      758.89      806.69     14.44 o 
   9   2   0     1458.68     1383.33     21.44 o 
  10   2   0      142.06      111.04      9.11 o 
  11   2   0      152.67      126.26     10.73 o 
  12   2   0      261.03      278.87     17.06 o 
  13   2   0       43.53       37.08     10.16 o 
   1   3   0     2442.57     3239.67     23.06 o 
   2   3   0      579.87      709.10      9.52 o 
   3   3   0      343.23      466.13      7.00 o 
   4   3   0     4088.99     4001.47     33.22 o 
   5   3   0      315.21       80.00      4.36 o 
   6   3   0       84.02       83.70      5.22 o 
   7   3   0      696.99      598.21     12.01 o 
   8   3   0      518.25      507.55     14.49 o 
   9   3   0      136.26      147.81      8.55 o 
  10   3   0       61.15       64.72     10.38 o 
  11   3   0      787.16      812.44     21.24 o 
  12   3   0       31.89       30.89     10.67 o 
  13   3   0      501.33      557.52     24.53 o 
   0   4   0     3845.87     3994.75     37.48 o 
   1   4   0      659.72      769.54      7.48 o 
   2   4   0      508.93      567.29      7.35 o 
   3   4   0      395.91      614.14      8.45 o 
   4   4   0      859.14      883.26     17.26 o 
   5   4   0       84.00      168.36      7.84 o 
   6   4   0      721.15      696.39     13.09 o 
   7   4   0     3617.88     3444.35     33.38 o 
   8   4   0      769.45      842.18     14.57 o 
   9   4   0     1554.28     1633.29     23.86 o 
  10   4   0      366.69      332.63     13.92 o 
  11   4   0       17.58       24.27      6.95 o 
  12   4   0       95.37      105.85     10.60 o 
  13   4   0      533.85      605.13     29.88 o 
   1   5   0     2655.33     2007.67     18.50 o 
   2   5   0     6026.81     6645.68     49.76 o 
   3   5   0     4342.47     4699.46     37.64 o 
   4   5   0      417.99      452.86      9.01 o 
   5   5   0     3335.77     4514.07     38.71 o 
   6   5   0        2.34        6.34      2.83 o 
   7   5   0      481.92      522.14     10.84 o 
   8   5   0      838.90     1024.56     16.28 o 
   9   5   0        2.48        3.90      4.30 o 
  10   5   0        2.43        2.60      5.64 o 
  11   5   0      998.03      933.40     28.45 o 
  12   5   0       16.08       15.93      7.73 o 
  13   5   0      294.74      305.91     18.61 o 
   0   6   0     2700.93     2584.34     30.76 o 
   1   6   0      745.09      570.66     12.91 o 
   2   6   0        0.22       32.05      2.48 o 
   3   6   0     1975.86     2305.12     21.56 o 
   4   6   0     4448.41     4743.22     39.48 o 
   5   6   0      863.86      926.01     16.10 o 
   6   6   0      608.85      742.76     14.67 o 
   7   6   0     2932.40     2826.97     29.46 o 
   8   6   0       95.13      107.66      6.62 o 
   9   6   0      585.12      569.73     14.22 o 
  10   6   0      103.52      123.61     10.16 o 
  11   6   0       10.80        5.34      6.34 o 
  12   6   0        3.83        0.28      6.84 o 
  13   6   0      105.07      115.45     12.99 o 
   1   7   0      535.88      644.69      8.39 o 
   2   7   0     1868.76     1726.77     17.11 o 
   3   7   0     1629.51     1534.16     16.34 o 
   4   7   0     1471.26     1166.23     14.35 o 
   5   7   0     1778.31     1892.47     20.82 o 
   6   7   0       98.51       82.91      6.65 o 
   7   7   0       66.51       61.07      5.15 o 
   8   7   0      325.81      314.95     11.08 o 
   9   7   0      139.29      155.10      9.02 o 
  10   7   0       99.23       87.22      9.22 o 
  11   7   0      402.11      473.73     18.39 o 
  12   7   0       44.78       58.53      9.23 o 
   0   8   0     3825.15     3647.89     52.94 o 
   1   8   0       21.91        9.42      1.91 o 
   2   8   0      201.72      232.20      7.28 o 
   3   8   0      918.01      934.32     13.27 o 
   4   8   0     1101.46     1367.57     16.21 o 
   5   8   0      833.91      757.42     12.03 o 
   6   8   0      704.80      662.34     13.97 o 
   7   8   0     3338.58     3211.34     32.87 o 
   8   8   0      246.21      276.15     12.17 o 
   9   8   0      645.90      636.19     15.18 o 
  10   8   0       88.98       84.24      9.28 o 
  11   8   0       30.21       27.82      7.38 o 
  12   8   0        3.30        1.41      7.00 o 
   1   9   0      144.13      114.74      6.45 o 
   2   9   0      693.29      582.43      9.03 o 
   3   9   0      398.17      376.20      7.78 o 
   4   9   0     7284.25     7714.57     61.40 o 
   5   9   0        7.15        3.65      2.69 o 
   6   9   0     3746.28     4123.58     38.77 o 
   7   9   0      151.31      168.10      9.55 o 
   8   9   0       31.63       35.04      5.14 o 
   9   9   0        0.09        4.65      4.85 o 
  10   9   0      418.73      381.75     15.32 o 
  11   9   0       13.15        4.60      5.99 o 
  12   9   0       24.91       29.59     13.82 o 
   0  10   0    22705.96    24573.81    245.47 o 
   1  10   0     1883.84     1972.46     25.31 o 
   2  10   0     1835.56     1793.58     18.92 o 
   3  10   0      199.47      261.65     10.47 o 
   4  10   0      494.87      592.60     10.48 o 
   5  10   0       27.21       42.08      4.79 o 
   6  10   0     1011.33      954.66     15.09 o 
   7  10   0      353.66      333.88     10.50 o 
   8  10   0       21.17       16.01      4.71 o 
   9  10   0        2.36        4.47      4.93 o 
  10  10   0      267.37      321.83     17.38 o 
  11  10   0        6.96        7.99      7.06 o 
  12  10   0        1.28        5.69      8.31 o 
   1  11   0      850.79      964.84     12.56 o 
   2  11   0      130.29      126.06      5.14 o 
   3  11   0       37.82       35.46      3.48 o 
   4  11   0     3135.03     2951.81     29.31 o 
   5  11   0      773.89      789.97     13.06 o 
   6  11   0     1820.84     1804.17     27.86 o 
   7  11   0     1153.82     1072.18     17.14 o 
   8  11   0      173.11      156.43      8.83 o 
   9  11   0        0.72        1.41      6.22 o 
  10  11   0      144.59      137.82     12.06 o 
  11  11   0        4.57        5.90      8.02 o 
  12  11   0      136.58      151.55     14.78 o 
   0  12   0     2523.74     2763.10     37.66 o 
   1  12   0       64.93      136.96      5.59 o 
   2  12   0     1609.93     1444.11     17.23 o 
   3  12   0       17.11       17.75      3.08 o 
   4  12   0      259.00      395.43     13.87 o 
   5  12   0      175.27      161.91      7.98 o 
   6  12   0       77.55       92.85      6.15 o 
   7  12   0       76.90       86.03      6.41 o 
   8  12   0      683.28      706.49     18.23 o 
   9  12   0      172.91      164.53     12.10 o 
  10  12   0      399.45      395.71     18.62 o 
  11  12   0      108.75      119.94     14.43 o 
   1  13   0      222.92      267.41      6.91 o 
   2  13   0      220.50      150.15      6.77 o 
   3  13   0     1726.74     1673.87     19.81 o 
   4  13   0      432.53      362.97      9.37 o 
   5  13   0      343.11      301.20     10.74 o 
   6  13   0       67.33       67.47      6.69 o 
   7  13   0        8.98        3.41      4.62 o 
   8  13   0      219.13      184.03     12.24 o 
   9  13   0      276.54      309.65     15.96 o 
  10  13   0        5.90        4.29      6.96 o 
  11  13   0       89.87       69.52     13.52 o 
   0  14   0      181.09      266.57     11.38 o 
   1  14   0     1884.93     1882.74     21.14 o 
   2  14   0       72.40      110.22      5.47 o 
   3  14   0      183.97      153.01      7.80 o 
   4  14   0      207.38      171.85      7.54 o 
   5  14   0       68.93       38.26      9.17 o 
   6  14   0      816.13      761.40     25.52 o 
   7  14   0     1367.89     1283.34     22.49 o 
   8  14   0       43.16       39.15      9.04 o 
   9  14   0      280.24      232.29     14.22 o 
  10  14   0      195.71      216.92     14.81 o 
  11  14   0       10.51       16.17      8.85 o 
   1  15   0      768.62      733.95     12.18 o 
   2  15   0      220.11      275.85     10.43 o 
   3  15   0      814.19      906.62     21.03 o 
   4  15   0      628.56      696.59     15.07 o 
   5  15   0      159.66      139.57     11.04 o 
   6  15   0       39.75       47.35      7.18 o 
   7  15   0       44.65       50.24      6.79 o 
   8  15   0      129.68      136.71     14.07 o 
   9  15   0      454.18      522.12     19.65 o 
  10  15   0       20.78       17.34      7.95 o 
   0  16   0      534.33      479.34     22.68 o 
   1  16   0     2190.91     2179.44     24.53 o 
   2  16   0      440.85      405.90     11.68 o 
   3  16   0      138.27      104.82      7.31 o 
   4  16   0        1.11        4.13      4.08 o 
   5  16   0      742.52      795.78     19.30 o 
   6  16   0       19.59       23.96      5.80 o 
   7  16   0      440.33      448.60     17.76 o 
   8  16   0       24.01       14.33      6.42 o 
   9  16   0      283.89      347.40     18.11 o 
  10  16   0        5.19        7.66      8.01 o 
   1  17   0      172.16      202.67      9.91 o 
   2  17   0       22.98       24.64      4.85 o 
   3  17   0      159.07      168.43      9.00 o 
   4  17   0      159.21      167.46     12.98 o 
   5  17   0      964.08      943.44     19.95 o 
   6  17   0      350.32      312.95     13.34 o 
   7  17   0      178.66      170.59     11.51 o 
   8  17   0        6.75        0.09      6.41 o 
   9  17   0      116.10       99.66     11.04 o 
  10  17   0       21.47       24.23     10.93 o 
   0  18   0      294.15      257.15     29.25 o 
   1  18   0      162.17      146.10     12.46 o 
   2  18   0      300.59      280.22     11.62 o 
   3  18   0      203.29      180.29      9.66 o 
   4  18   0       20.21       18.15      5.24 o 
   5  18   0       36.49       41.41      6.61 o 
   6  18   0      185.66      158.85     10.23 o 
   7  18   0      224.17      234.16     13.38 o 
   8  18   0      122.75      107.14     10.84 o 
   9  18   0      196.05      167.85     17.36 o 
   1  19   0       13.61        6.36      4.87 o 
   2  19   0      539.87      504.12     14.08 o 
   3  19   0        7.22       11.46      4.87 o 
   4  19   0     1384.88     1390.47     39.26 o 
   5  19   0       31.74       53.64      6.94 o 
   6  19   0      379.60      421.91     16.94 o 
   7  19   0        1.36        2.65      7.52 o 
   8  19   0       42.21       50.03     10.36 o 
   9  19   0        0.95        9.96      9.08 o 
   0  20   0     1047.00     1112.74     88.55 o 
   1  20   0       13.88        3.90      5.06 o 
   2  20   0      968.58     1057.03     23.44 o 
   3  20   0       69.26       54.70      6.95 o 
   4  20   0        0.00        9.90      5.39 o 
   5  20   0        1.08        3.34      5.86 o 
   6  20   0      134.32      129.61     12.60 o 
   7  20   0        0.12        3.17      7.62 o 
   8  20   0      127.09      141.40     17.45 o 
   1  21   0        2.59        3.67      5.30 o 
   2  21   0     1199.50     1185.47     24.89 o 
   3  21   0       71.45       89.21     11.41 o 
   4  21   0      962.13      997.20     44.09 o 
   5  21   0       11.54        6.48      6.67 o 
   6  21   0      400.16      415.71     20.67 o 
   7  21   0       20.51       13.89      8.97 o 
   0  22   0      921.60      923.95     31.29 o 
   1  22   0      122.31      104.61     11.43 o 
   2  22   0      517.00      471.43     21.15 o 
   3  22   0       10.07        0.50      6.87 o 
   4  22   0       12.95       18.06      8.01 o 
   5  22   0        9.68       10.04      8.04 o 
   6  22   0      104.88       93.69     14.80 o 
   7  22   0       18.23       13.26      8.52 o 
   1  23   0        0.96        5.56      7.58 o 
   2  23   0      183.25      195.60     15.91 o 
   3  23   0       54.52       62.33     11.72 o 
   4  23   0      327.23      358.87     21.80 o 
   5  23   0       44.70       24.47     10.81 o 
   6  23   0       62.41       83.80     13.97 o 
   0  24   0      708.63      738.42     54.98 o 
   1  24   0      110.80      109.88     30.99 o 
   2  24   0       45.31       35.60     14.16 o 
   3  24   0       65.28       78.74     16.42 o 
   4  24   0      132.87       83.93     19.35 o 
   5  24   0        4.47        0.94      9.19 o 
   1  25   0        3.47        4.71     11.67 o 
   2  25   0        0.05       18.05     11.96 o 
   3  25   0       38.77       55.12     16.32 o 
   0  26   0        0.13        0.00     16.15 o 
   1  26   0      247.85      289.85     27.21 o 
 -13   0   1       36.12       35.92     14.53 o 
 -11   0   1        3.99        0.00      8.29 o 
  -9   0   1       40.99       24.90      6.57 o 
  -7   0   1      113.19       77.61      7.22 o 
  -5   0   1     3026.64     2459.11     33.18 o 
  -3   0   1     5629.19     5935.21     62.74 o 
  -1   0   1     7032.58     7953.82     63.73 o 
   1   0   1    18487.54    18072.57    174.20 o 
   3   0   1    33893.10    33417.32    291.17 o 
   5   0   1     9512.93     9206.89     97.94 o 
   7   0   1      181.02      143.53     15.24 o 
   9   0   1      268.58      166.08     19.56 o 
  11   0   1      131.03      151.50     17.39 o 
  13   0   1       66.74       52.04     14.68 o 
 -13   1   1       66.04       41.88     10.06 o 
 -12   1   1       87.84       89.12     11.01 o 
 -11   1   1      275.31      242.89     15.06 o 
 -10   1   1      219.15      213.85     11.36 o 
  -9   1   1      846.25      850.57     15.38 o 
  -8   1   1        1.53        8.27      3.51 o 
  -7   1   1      981.38      807.21     13.11 o 
  -6   1   1      299.79      332.11      7.78 o 
  -5   1   1      303.88      232.65      6.90 o 
  -4   1   1     1092.89      848.12     11.63 o 
  -3   1   1     1240.35     1343.23     13.26 o 
  -2   1   1      687.85      362.51      6.60 o 
  -1   1   1    21637.22    22375.46    147.00 o 
   0   1   1       64.68        2.64      1.30 o 
   1   1   1    27984.26    28766.49    186.96 o 
   2   1   1     3578.72     4000.82     29.35 o 
   3   1   1      803.25      978.69      9.71 o 
   4   1   1       55.65       82.83      3.73 o 
   5   1   1     1080.55      965.67     12.40 o 
   6   1   1      124.82       68.15      4.41 o 
   7   1   1     1113.53      996.83     14.47 o 
   8   1   1        5.66        9.47      3.28 o 
   9   1   1     1029.65      975.13     19.30 o 
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    0    2   -1      8.75     -1.74
   -1    2   -2      2.49     -0.85
   -2   -1    2      2.49     -0.84
    2   -2   -1      2.49     -0.84
   -1    2   -2      2.49     -0.85
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   -2    2    1      2.49      0.84
    2    1   -2      2.49      0.84
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    2    1   -2      2.49      0.84
    1   -2    2      2.49      0.85
    1   -2    2      2.49      0.85
   -4    0    3      1.23      0.90
    3   -4    0      1.23      0.90
    0    3   -4      1.23      0.90
    0    3   -4      1.23      0.90
   -4    0    3      1.23      0.90
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    0   -3    4      1.23     -0.90
    0   -3    4      1.23     -0.90
    4    0   -3      1.23     -0.90
    4    0   -3      1.23     -0.90
   -3    4    0      1.23     -0.90
    1    1   -3      4.20      1.66
   -3    1    1      4.20      1.66
   -3    1    1      4.20      1.66
    1    1   -3      4.20      1.66
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    3   -1   -1      4.20     -1.66
   -1   -1    3      4.20     -1.66
   -1   -1    3      4.20     -1.66
    3   -1   -1      4.20     -1.66
   -1    3   -1      4.20     -1.66
   -1    3   -1      4.20     -1.66
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    2   -1   -2      2.34     -1.18
   -2    2   -1      2.34     -1.18
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   -2    1    2      2.34      1.18
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    1    2   -2      2.34      1.18
    1    2   -2      2.34      1.18
    2   -2    1      2.34      1.18
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    1    2   -2      2.34      1.18
    2   -2    1      2.34      1.18
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    3   -3   -1      0.24     -0.57
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    3    1   -3      0.24      0.57
    1   -3    3      0.24      0.57
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    3    1   -3      0.24      0.57
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    1   -3    3      0.24      0.57
    0    4   -5      1.11      1.41
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    4   -5    0      1.11      1.41
    4   -5    0      1.11      1.41
    0    4   -5      1.11      1.41
    5    0   -4      1.11     -1.41
    5    0   -4      1.11     -1.41
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    0   -4    5      1.11     -1.41
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    0   -4    5      1.11     -1.41
    2   -4    1      0.70      0.53
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    1    2   -4      0.70      0.54
    1    2   -4      0.70      0.54
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    2   -4    1      0.70      0.53
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    4   -1   -2      0.70     -0.54
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    4   -1   -2      0.70     -0.54
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    2    0   -3      3.37     -0.19
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    2    0   -3      3.37     -0.19
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    3   -2    0      3.37      0.20
    3   -2    0      3.37      0.20
    0    3   -2      3.37      0.19
    0    3   -2      3.37      0.19
    0    3   -2      3.37      0.19
    0    3   -2      3.37      0.19
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    3   -2   -2     -1.51     -0.57
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    2   -3    2     -1.50      0.57
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    2    2   -3     -1.51      0.57
    2    2   -3     -1.51      0.57
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    2    2   -3     -1.51      0.57
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    1    3   -5      0.01      1.40
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    5   -1   -3      0.01     -1.40
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    5   -1   -3      0.01     -1.40
    2    1   -4      1.06      0.33
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    4   -2   -1      1.06     -0.33
    4   -2   -1      1.06     -0.33
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    3   -1   -3      0.18     -0.93
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    1    3   -3      0.18      0.93
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    1    3   -3      0.18      0.93
    1    3   -3      0.18      0.93
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    1    3   -3      0.18      0.93
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    4   -3   -2     -1.04     -0.52
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    2   -4    3     -1.04      0.52
    3    2   -4     -1.04      0.51
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    3    2   -4     -1.04      0.51
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    5   -5   -1      1.47      0.02
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    1   -5    5      1.47     -0.02
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    5    1   -5      1.47     -0.02
    5    1   -5      1.47     -0.02
    6   -7    0      1.41     -0.26
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    6   -7    0      1.41     -0.26
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    7    0   -6      1.42      0.26
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    7    0   -6      1.42      0.26
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    1    4   -6     -0.04      0.47
    4   -6    1     -0.04      0.47
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    4   -6    1     -0.04      0.47
    1    4   -6     -0.04      0.47
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    6   -1   -4     -0.03     -0.48
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    6   -1   -4     -0.03     -0.48
    2   -5    2     -0.46      0.22
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    3    0   -4      1.61      0.29
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HisX      24     0     1 24 25
HisY      24     1     0 0
HisY      24     2     0 0
HisY      24     3     0 0
HisY      24     4     0 0
HisY      24     5     1 0
HisY      24     6     1 0
HisY      24     7     1 0
HisY      24     8     1 0
HisY      24     9     1 0
HisY      24    10     1 0
HisY      24    11     1 0
HisY      24    12     1 0
HisY      24    13     1 0
HisY      24    14     1 0
HisY      24    15     1 0
HisY      24    16     1 0
HisY      24    17     1 0
HisY      24    18     1 0
HisY      24    19     1 0
HisY      24    20     1 0
EndHis
BegHis   4   599 Overa     1    22 ~ ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.raw)
HisSmp   4   599     1     1     1     0
HisX       0     0     1 0 1
HisY       0     1     0 40166
HisY       0     2     0 7231
HisY       0     3     0 7273
HisY       0     4     0 40130
HisY       0     5     1 45.356769406961
HisY       0     6     1 120.36576945778
HisY       0     7     1 8.9803055457114
HisY       0     8     1 1.906848702883
HisY       0     9     1 0.074449450885138
HisY       0    10     1 2.6601565664147e-19
HisY       0    11     1 0.56604731536814
HisY       0    12     1 0.067081688506108
HisY       0    13     1 0.07438794974739
HisY    04_ 0 1.sfrm  la0410/wosk/RUKCby<`4p0!0?gobz/{}a!&1"L0'8rbf 12  600
 
Current batch numbur0is        1
 
Intdgr`timD }v k|q0$!00
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Ntmber f0threads to be used: !  !
2Qddydi~a}0rtqd9pytsu7ayc|auc      0
 
Input lioeas phxe| ccale:         1.00000
IoZue0frq}e0bofc,2soyd|zb(32155   2  512
Frame qteug hclf/sije*             7
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I/Sigma = 0.00!  Whrfsh$ 0> 2!0 2Slqd8,1T2140R}tf{Huting = 2  $Int{dlBroejltPt = 1.000
Qeghon,2Pum(= 0.!343*0 2]alxmm|1+2";$!%!#* ;87
FM = 2.078'	!@dg}`n'7:&Ze`rion 1->3
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I/Sigma = 15.25   Thresh = 0.020   Blend = F   #Contributing = 2   InitialProfileWt = 0.766
Region 4
Sum = 1939.66;   Maximum = 59.6035;   FM = 0.367
!Region 4: Section 1->3
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I/Sigma = 27.30   Thresh = 0.020   Blend = F   #Contributing = 14   InitialProfileWt = 0.176
Region 5
Sum = 9910.13;   Maximum = 296.652;   FM = 0.508
!Region 5: Section 1->3
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I/Sigma = 65.39   Thresh = 0.020   Blend = F   #Contributing = 7   InitialProfileWt = 0.393
Region 6
Sum = 57713.1;   Maximum = 1641.32;   FM = 0.729
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!Region 6: Section 4->6
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!Region 6: Section 7->9
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I/Sigma = 30.63   Thresh = 0.020   Blend = F   #Contributing = 18   InitialProfileWt = 0.135
Region 7
Sum = 13291.3;   Maximum = 394.126;   FM = 0.576
!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 = 13.68   Thresh = 0.020   Blend = F   #Contributing = 6   InitialProfileWt = 0.513
Region 8
Sum = 2345.29;   Maximum = 48.6309;   FM = 0.68
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.03936;   Maximum = 0.0226045;   FM = 0.648
!Region 9: Section 1->3
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!Region 9: Section 4->6
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!Region 4: Section 4->6
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I/Sigma = 31.34   Thresh = 0.020   Blend = F   #Contributing = 17   InitialProfileWt = 0.135
Region 5
Sum = 12945.5;   Maximum = 323.931;   FM = 0.908
!Region 5: Section 1->3
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!Region 5: Section 4->6
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I/Sigma = 71.22   Thresh = 0.020   Blend = F   #Contributing = 7   InitialProfileWt = 0.393
Region 6
Sum = 68717.1;   Maximum = 1762.19;   FM = 0.882
!Region 6: Section 1->3
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!Region 6: Section 4->6
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I/Sigma = 34.20   Thresh = 0.020   Blend = F   #Contributing = 19   InitialProfileWt = 0.154
Region 7
Sum = 15301.2;   Maximum = 395.012;   FM = 0.9
!Region 7: Section 1->3
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I/Sigma = 15.70   Thresh = 0.020   Blend = F   #Contributing = 7   InitialProfileWt = 0.449
Region 8
Sum = 3203.41;   Maximum = 74.2835;   FM = 0.9
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.03531;   Maximum = 0.0237149;   FM = 0.904
!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)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (87 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:  0.7107300,  0.0000089
 
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)        87         0        87    7.3218    1.0195     5.564    40.798
 
Orientation ('UB') matrix:
  -0.0674716   0.0345846  -0.0292367
  -0.0154271  -0.0543587  -0.0303033
  -0.0660360  -0.0226374   0.0280998
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5305   14.6436   19.8994    90.000    96.933    90.000       3046.14
    0.0124    0.0116    0.0164     0.000     0.038     0.000          8.24
Corrected for goodness of fit:
    0.0101    0.0095    ESD (pix, pix, deg):          0.09894         0.09636         0.04945
 Goodness of fit:                            0.93144         0.38580         1.20262
 
 
Old XYZ spot size:              0.466   0.455   0.443
New XYZ spot size:              0.522   0.503   0.408
Average missing volume:         0.014
% with too much missing I:      1.383
Fractional overlap in H,K,L:    0.000   0.000   0.000
 
End of pass 5.  Repeating shape determination...
 
Repeat orientation and spot-shape refinement ============= 06/23/2013 11:58:53
 
Current XYZ spot size:            0.522   0.503   0.408
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.097   0.094   0.142
Profile convolver halfwidth:       1.67    1.71    2.52
Background pixels updated = 98.03%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   13 0.00 0.00 0.78 1.002
    1_0002    1 -0.95  0.00  0.51  0.95  0.00  0.51 -1.598   0  100  0.07   14 0.00 0.00 0.78 1.001
    2_0003   11  0.02 -0.01  0.11  0.28  0.26  0.29 26.138   1   73  0.66   20 0.00 0.00 0.78 1.001
    3_0004   16 -0.07 -0.03  0.22  0.31  0.36  0.33 119.90   3   44  0.70   22 0.00 0.00 0.78 1.001
    4_0005    9 -0.04 -0.01 -0.08  0.31  0.24  0.33 55.892   2   44  0.70   19 0.00 0.00 0.77 1.001
    5_0006   18 -0.02  0.01  0.08  0.26  0.28  0.49 170.59   4   50  0.74   20 1.27 0.97 0.77 1.001
    6_0007   24 -0.10  0.01  0.15  0.27  0.33  0.40 87.683   3   46  0.77   20 1.24 0.97 0.77 1.001
    7_0008   20 -0.06  0.01  0.24  0.18  0.18  0.47 324.54   6   35  0.83   18 1.28 1.10 0.77 1.001
    8_0009   16 -0.10 -0.06  0.07  0.26  0.26  0.55 68.962   3   44  0.81   20 1.28 1.10 0.73 1.001
    9_0010   15 -0.07 -0.09 -0.08  0.27  0.27  0.30 285.21   6   53  0.76   21 1.30 1.13 0.73 1.001
   10_0011   17 -0.11 -0.06 -0.01  0.21  0.30  0.29 204.37   5   35  0.83   22 1.30 1.07 0.66 1.001
   11_0012   19 -0.07 -0.11 -0.12  0.31  0.19  0.29 166.66   4   47  0.80   23 1.30 1.06 0.65 1.001
   12_0013   19  0.00 -0.05 -0.18  0.22  0.28  0.38 85.473   4   47  0.74   19 1.30 1.05 0.63 1.001
   13_0014    9  0.15 -0.03 -0.02  0.33  0.36  0.21 35.836   1   67  0.63   19 1.30 1.05 0.63 1.001
   14_0015   20 -0.09  0.02 -0.10  0.24  0.22  0.24 150.22   4   30  0.84   22 1.29 1.03 0.63 1.001
   15_0016   23 -0.09 -0.01 -0.04  0.32  0.29  0.22 281.51   6   52  0.75   20 1.29 1.03 0.63 1.001
   16_0017   17 -0.01 -0.10 -0.06  0.49  0.32  0.41 180.64   5   47  0.76   19 1.29 1.02 0.57 1.001
   17_0018   16  0.03 -0.05 -0.04  0.26  0.18  0.26 130.61   4   31  0.85   20 1.29 1.01 0.57 1.001
   18_0019   12  0.10  0.12 -0.07  0.44  0.36  0.20 75.944   3   58  0.71   22 1.29 1.01 0.57 1.001
   19_0020   19  0.06  0.07 -0.07  0.40  0.25  0.21 116.91   3   53  0.76   20 1.30 1.01 0.57 1.001
Background pixels updated = 97.90%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   13 -0.17  0.01 -0.03  0.29  0.16  0.18 236.39   5   54  0.70   24 1.31 1.02 0.56 1.001
   21_0022   24 -0.07 -0.08 -0.10  0.37  0.26  0.28 264.76   6   42  0.76   19 1.32 1.03 0.55 1.001
   22_0023    9 -0.01 -0.12 -0.09  0.10  0.19  0.17 157.17   5   22  0.91   20 1.32 1.02 0.53 1.001
   23_0024   14  0.14 -0.02 -0.09  0.56  0.21  0.17 237.40   5   36  0.80   19 1.32 1.02 0.53 1.001
   24_0025   14 -0.27  0.07 -0.15  0.48  0.19  0.28 78.625   3   43  0.80   19 1.32 1.02 0.53 1.002
   25_0026   21  0.00 -0.03 -0.14  0.18  0.26  0.34 226.17   6   38  0.80   22 1.32 1.02 0.53 1.001
   26_0027   17 -0.08 -0.01  0.00  0.34  0.35  0.33 50.817   2   47  0.79   20 1.32 1.02 0.51 1.001
   27_0028   16 -0.02  0.02 -0.06  0.35  0.34  0.31 273.93   7   50  0.77   20 1.32 1.02 0.51 1.002
   28_0029   22  0.06  0.00 -0.11  0.27  0.17  0.25 194.04   5   55  0.79   21 1.32 1.03 0.50 1.001
   29_0030   16  0.09 -0.14 -0.05  0.39  0.37  0.32 88.953   3   50  0.76   20 1.32 1.03 0.49 1.001
   30_0031   16  0.12  0.02  0.03  0.45  0.29  0.17 291.25   7   56  0.75   23 1.34 1.03 0.49 1.001
   31_0032   18 -0.01  0.14 -0.06  0.33  0.36  0.23 129.33   4   50  0.74   21 1.33 1.03 0.46 1.001
   32_0033   16 -0.03 -0.01 -0.07  0.31  0.26  0.32 216.55   5   50  0.78   20 1.34 1.03 0.46 1.001
   33_0034   18 -0.09  0.06 -0.07  0.35  0.27  0.32 716.39  10   50  0.77   19 1.34 1.04 0.46 1.001
   34_0035   18 -0.03 -0.04 -0.08  0.35  0.20  0.20 141.86   5   39  0.83   20 1.33 1.03 0.44 1.001
   35_0036   23 -0.09 -0.16 -0.06  0.44  0.51  0.38 136.44   4   48  0.75   28 1.33 1.03 0.44 1.002
   36_0037   12 -0.05 -0.09  0.02  0.18  0.20  0.19 136.66   5   42  0.80   22 1.34 1.03 0.44 1.001
   37_0038   15  0.04 -0.12 -0.09  0.36  0.35  0.26 210.95   6   47  0.81   18 1.33 1.03 0.44 1.001
   38_0039   21  0.20 -0.12 -0.01  0.37  0.39  0.28 101.35   3   71  0.63   20 1.33 1.03 0.43 1.001
   39_0040   16  0.12  0.05 -0.03  0.25  0.31  0.17 176.90   5   50  0.81   27 1.33 1.03 0.43 1.001
Background pixels updated = 98.03%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   40_0041   20 -0.00  0.00  0.00  0.27  0.24  0.19 134.66   4   40  0.78   23 1.33 1.03 0.43 1.002
   41_0042   14  0.05 -0.05 -0.07  0.43  0.29  0.21 61.754   3   57  0.74   19 1.33 1.03 0.43 1.001
   42_0043   14  0.02  0.02 -0.09  0.19  0.21  0.38 87.673   4   43  0.82   21 1.33 1.03 0.43 1.001
   43_0044   14  0.18 -0.05 -0.06  0.35  0.31  0.19 193.12   5   50  0.78   18 1.33 1.03 0.43 1.001
   44_0045   19  0.06 -0.01 -0.14  0.23  0.24  0.25 105.37   4   42  0.75   24 1.33 1.03 0.43 1.001
   45_0046   20  0.03  0.02 -0.01  0.32  0.30  0.27 131.21   4   45  0.80   23 1.33 1.03 0.42 1.002
   46_0047   11 -0.11 -0.06 -0.13  0.51  0.23  0.33 148.29   5   36  0.78   20 1.33 1.03 0.42 1.001
   47_0048   23  0.09 -0.05 -0.03  0.28  0.19  0.28 133.75   5   22  0.87   21 1.33 1.03 0.42 1.002
   48_0049   14  0.10 -0.09 -0.13  0.18  0.26  0.41 158.94   4   50  0.80   20 1.32 1.03 0.42 1.001
   49_0050   16 -0.02  0.08 -0.03  0.28  0.35  0.32 179.29   4   56  0.73   20 1.32 1.03 0.42 1.001
   50_0051   14 -0.15  0.04 -0.02  0.37  0.27  0.29 160.60   4   43  0.78   22 1.32 1.03 0.42 1.001
 
I/Sigma = 26.47   Thresh = 0.020   Blend = F   #Contributing = 34   InitialProfileWt = 0.031
Region 1
Sum = 9711.13;   Maximum = 198.435;   FM = 0.983
!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 = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.04285;   Maximum = 0.02151;   FM = 0.983
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.04621;   Maximum = 0.0239003;   FM = 0.979
!Region 3: Section 1->3
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I/Sigma = 15.25   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.586
Region 4
Sum = 2775.08;   Maximum = 65.316;   FM = 0.975
!Region 4: Section 1->3
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!Region 4: Section 7->9
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  163_0164    8  0.01 -0.10 -0.04  0.26  0.14  0.14 69.510   4   38  0.86   20 1.32 1.01 0.35 1.001
  164_0165   13  0.08  0.08  0.17  0.30  0.23  0.33 34.421   2   46  0.73   19 1.32 1.01 0.35 1.001
  165_0166   16  0.17 -0.07  0.12  0.34  0.25  0.22 74.755   4   44  0.81   22 1.32 1.01 0.35 1.002
  166_0167   28  0.05 -0.04  0.05  0.52  0.29  0.25 113.43   5   36  0.82   23 1.32 1.00 0.35 1.001
  167_0168   17  0.21  0.06 -0.02  0.40  0.28  0.41 66.386   3   53  0.72   22 1.32 1.00 0.35 1.002
  168_0169   19  0.31 -0.11  0.12  0.45  0.28  0.27 110.27   5   21  0.84   21 1.32 1.01 0.35 1.001
  169_0170   24  0.29 -0.06  0.08  0.40  0.24  0.13 93.151   5   21  0.87   22 1.32 1.00 0.35 1.002
  170_0171   25  0.12 -0.01  0.05  0.42  0.21  0.25 113.31   6   40  0.79   21 1.32 1.00 0.35 1.001
  171_0172   18 -0.01 -0.03  0.05  0.31  0.34  0.24 87.486   5   44  0.75   21 1.32 1.01 0.35 1.001
  172_0173   13  0.22  0.14 -0.01  0.37  0.30  0.20 95.476   5   54  0.78   20 1.32 1.01 0.35 1.001
  173_0174   21  0.17  0.03  0.07  0.48  0.20  0.20 163.06   6   38  0.80   20 1.32 1.01 0.35 1.001
  174_0175   20 -0.01  0.02  0.09  0.43  0.30  0.21 32.730   2   60  0.73   20 1.32 1.01 0.35 1.001
  175_0176   18  0.33  0.08  0.11  0.47  0.28  0.16 115.95   5   33  0.82   19 1.32 1.01 0.35 1.002
  176_0177   20  0.23  0.04  0.08  0.42  0.29  0.22 89.938   5   50  0.74   22 1.32 1.01 0.35 1.001
  177_0178   11  0.08 -0.07 -0.05  0.30  0.33  0.28 101.92   6   36  0.83   20 1.32 1.01 0.35 1.002
  178_0179   22  0.09 -0.08  0.10  0.30  0.22  0.27 214.03   8   32  0.85   23 1.32 1.01 0.35 1.001
  179_0180   15  0.12  0.02  0.14  0.37  0.20  0.26 39.881   2   53  0.69   20 1.32 1.01 0.35 1.002
Background pixels updated = 98.37%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  180_0181   10  0.09  0.08  0.05  0.44  0.40  0.16 46.093   3   50  0.77   20 1.32 1.01 0.35 1.002
  181_0182   19  0.04  0.00 -0.03  0.45  0.33  0.43 81.932   4   63  0.66   25 1.32 1.01 0.35 1.001
  182_0183   16  0.07 -0.07  0.12  0.49  0.26  0.24 362.63  15   38  0.76   22 1.32 1.01 0.35 1.001
  183_0184   16  0.37 -0.04  0.19  0.56  0.27  0.28 72.419   4   56  0.72   20 1.32 1.01 0.36 1.001
  184_0185   12 -0.02 -0.00  0.05  0.38  0.22  0.13 87.399   4   58  0.74   20 1.32 1.01 0.36 1.002
  185_0186   15 -0.01  0.10 -0.00  0.20  0.31  0.24 183.00   7   40  0.82   20 1.32 1.01 0.36 1.001
  186_0187   15  0.10  0.02  0.04  0.54  0.30  0.19 179.75   6   33  0.80   20 1.32 1.01 0.36 1.001
  187_0188    9  0.18  0.00  0.05  0.32  0.25  0.20 244.78   8   44  0.80   21 1.32 1.01 0.36 1.002
  188_0189   15  0.09  0.04  0.01  0.37  0.48  0.32 88.548   3   67  0.65   19 1.33 1.01 0.36 1.001
  189_0190   13  0.19 -0.06 -0.02  0.39  0.28  0.32 61.291   5   46  0.80   24 1.32 1.01 0.36 1.002
  190_0191   25  0.21  0.05 -0.02  0.34  0.24  0.27 37.418   2   52  0.79   21 1.32 1.01 0.36 1.001
  191_0192   21  0.11 -0.12  0.15  0.33  0.42  0.33 65.231   4   43  0.74   23 1.32 1.01 0.36 1.001
  192_0193   20  0.16  0.03  0.04  0.33  0.23  0.16 103.53   5   25  0.87   20 1.32 1.01 0.36 1.002
  193_0194   19  0.06 -0.13 -0.06  0.36  0.41  0.25 16.530   1   68  0.57   21 1.32 1.01 0.36 1.001
  194_0195   24  0.04 -0.01  0.07  0.34  0.27  0.29 96.687   5   38  0.82   21 1.32 1.00 0.36 1.002
  195_0196   22  0.09 -0.07 -0.03  0.34  0.39  0.23 78.586   5   36  0.81   23 1.32 1.00 0.36 1.001
  196_0197   14  0.18 -0.04  0.04  0.43  0.21  0.33 143.40   7   29  0.83   23 1.32 1.00 0.36 1.001
  197_0198   24  0.09 -0.07 -0.05  0.33  0.37  0.41 96.711   6   46  0.77   25 1.32 1.00 0.36 1.002
  198_0199   16  0.05 -0.00  0.05  0.37  0.37  0.20 55.694   3   56  0.73   20 1.32 1.00 0.36 1.001
  199_0200   16  0.17 -0.04  0.00  0.26  0.22  0.35 61.941   4   31  0.83   26 1.32 1.00 0.36 1.001
 
................
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 (261 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:  0.7107300,  0.0000089
 
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)       261         0       261    8.1800    0.9588     4.980    43.511
 
Orientation ('UB') matrix:
  -0.0676347   0.0347791  -0.0292857
  -0.0158982  -0.0541573  -0.0304897
  -0.0660762  -0.0225689   0.0280346
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5134   14.6616   19.8719    90.000    97.241    90.000       3038.69
    0.0050    0.0053    0.0072     0.000     0.013     0.000          3.54
Corrected for goodness of fit:
    0.0056    0.0059    0.0080     0.000     0.014     0.000          3.97
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.907      49.860     -64.352
Goniometer zeros (deg):          0.0000*     0.0926      0.0000*    -0.1040    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -8.8055  -0.3478   0.0138  -0.0221   0.6622   0.5240
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.46239e+03   9.48432e+02    1.12       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 261             261             247
 Average input ESD (pix, pix, deg):          0.10023         0.09703         0.05000
 Goodness of fit:                            1.32280         0.82131         1.13050
 
BG snapshot written to /home/isengard/data/kla0410/work/bg_snap_01_0002.sfrm
 
I/Sigma = 30.60   Thresh = 0.020   Blend = F   #Contributing = 184   InitialProfileWt = 0.000
Region 1
Sum = 11907;   Maximum = 266.107;   FM = 0.975
!Region 1: 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  1  1  1  1  1  0  0  0
!Region 1: Section 4->6
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  4 16 39 62 65 44 19  6  1    3 15 40 71 80 58 28  9  2    2  8 22 42 51 40 20  7  2
  2 10 22 33 33 22 10  3  1    2  9 23 38 41 29 14  5  1    1  5 13 23 26 20 10  4  1
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.03806;   Maximum = 0.0206078;   FM = 0.971
!Region 2: Section 1->3
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!Region 2: Section 4->6
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  4 22 49 70 69 44 18  5  1    4 18 43 69 78 56 26  9  2    2 10 25 47 61 49 25  9  2
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!Region 2: Section 7->9
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I/Sigma = 11.07   Thresh = 0.020   Blend = F   #Contributing = 2   InitialProfileWt = 0.766
Region 3
Sum = 955.414;   Maximum = 19.0018;   FM = 0.961
!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 = 21.31   Thresh = 0.020   Blend = F   #Contributing = 35   InitialProfileWt = 0.016
Region 4
Sum = 5917.78;   Maximum = 142.153;   FM = 0.95
!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 = 15.58   Thresh = 0.020   Blend = F   #Contributing = 1   InitialProfileWt = 0.875
Region 9
Sum = 515.037;   Maximum = 9.77819;   FM = 0.967
!Region 9: Section 1->3
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!Region 9: Section 4->6
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!Region 9: Section 7->9
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Background pixels updated = 97.88%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  300_0301   21 -0.03  0.07 -0.06  0.33  0.32  0.23 110.18   6   43  0.82   26 1.31 1.00 0.36 1.001
  301_0302   13  0.11  0.02 -0.15  0.48  0.38  0.22 38.360   2   31  0.80   17 1.31 1.00 0.36 1.001
  302_0303   21  0.09 -0.01  0.06  0.32  0.34  0.23 130.20   6   43  0.81   20 1.31 1.00 0.36 1.002
  303_0304   11 -0.02  0.11 -0.09  0.25  0.24  0.20 18.272   2   64  0.72   19 1.31 1.00 0.36 1.001
  304_0305   17 -0.03 -0.09 -0.07  0.32  0.32  0.27 100.04   5   53  0.75   21 1.31 1.00 0.36 1.001
  305_0306   14  0.09  0.07  0.03  0.41  0.32  0.32 143.02   8   43  0.80   26 1.32 1.00 0.36 1.001
  306_0307   13 -0.06  0.12 -0.04  0.26  0.22  0.12 57.435   3   38  0.84   26 1.31 1.00 0.36 1.001
  307_0308   23 -0.13 -0.06 -0.09  0.32  0.26  0.20 79.486   4   43  0.80   20 1.31 1.00 0.36 1.001
  308_0309   18 -0.09 -0.14  0.00  0.37  0.26  0.25 145.31   5   56  0.73   20 1.31 1.00 0.36 1.002
  309_0310   20 -0.00 -0.07 -0.07  0.35  0.39  0.26 66.239   4   60  0.66   21 1.31 1.00 0.36 1.001
  310_0311   18  0.08 -0.09 -0.03  0.40  0.24  0.17 44.700   3   61  0.72   21 1.31 1.00 0.36 1.001
  311_0312   20 -0.05 -0.08 -0.01  0.28  0.25  0.26 120.55   7   55  0.73   23 1.31 1.00 0.36 1.001
  312_0313   16  0.11  0.09 -0.06  0.38  0.23  0.27 134.47   7   50  0.76   24 1.31 1.00 0.36 1.002
  313_0314   15  0.11  0.09  0.01  0.37  0.38  0.33 55.182   3   40  0.77   22 1.31 1.00 0.36 1.001
  314_0315   11  0.01 -0.02 -0.08  0.15  0.25  0.14 89.752   5   36  0.85   25 1.31 1.00 0.36 1.002
  315_0316   19  0.06 -0.08 -0.08  0.41  0.32  0.21 83.555   4   63  0.74   22 1.31 1.00 0.36 1.001
  316_0317   14  0.04 -0.08 -0.05  0.35  0.46  0.24 192.04   6   57  0.72   21 1.31 1.00 0.36 1.001
  317_0318   18 -0.04  0.04 -0.01  0.18  0.32  0.20 305.78  10   44  0.79   20 1.31 1.00 0.36 1.002
  318_0319   19  0.23 -0.16 -0.05  0.46  0.48  0.25 95.863   4   58  0.66   22 1.31 1.01 0.36 1.001
  319_0320   15 -0.13 -0.02 -0.04  0.27  0.21  0.15 216.71   6   40  0.78   25 1.31 1.01 0.36 1.001
Background pixels updated = 98.20%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  320_0321   18  0.02  0.08 -0.07  0.35  0.43  0.18 102.46   4   39  0.79   19 1.31 1.01 0.36 1.001
  321_0322   21 -0.05  0.07 -0.03  0.25  0.32  0.19 136.70   6   38  0.82   21 1.31 1.01 0.36 1.001
  322_0323   13 -0.09  0.12 -0.07  0.21  0.24  0.20 57.539   3   46  0.82   18 1.31 1.01 0.36 1.001
  323_0324   26  0.06 -0.00 -0.12  0.40  0.34  0.25 124.17   4   54  0.71   21 1.31 1.01 0.36 1.002
  324_0325   14  0.04  0.20 -0.11  0.36  0.36  0.28 83.996   5   50  0.72   21 1.31 1.01 0.36 1.001
  325_0326   20 -0.10 -0.03 -0.12  0.38  0.31  0.28 156.91   6   45  0.76   20 1.31 1.01 0.36 1.001
  326_0327   14  0.02  0.02 -0.00  0.33  0.17  0.14 48.724   2   43  0.80   20 1.31 1.01 0.36 1.002
  327_0328   12  0.06 -0.12 -0.03  0.20  0.40  0.19 67.737   4   50  0.75   21 1.31 1.01 0.36 1.002
  328_0329   19 -0.06  0.09 -0.05  0.29  0.37  0.23 121.88   6   37  0.82   23 1.31 1.00 0.36 1.001
  329_0330   13 -0.15  0.07  0.00  0.24  0.35  0.20 81.210   4   46  0.76   21 1.31 1.00 0.36 1.001
  330_0331   21 -0.07 -0.01 -0.09  0.24  0.23  0.22 80.832   4   29  0.84   23 1.31 1.00 0.36 1.001
  331_0332   10 -0.04 -0.07 -0.12  0.22  0.23  0.30 489.43  11   40  0.77   19 1.31 1.00 0.36 1.002
  332_0333   17  0.00 -0.05 -0.02  0.24  0.22  0.25 53.329   4   47  0.77   22 1.31 1.00 0.36 1.002
  333_0334   20 -0.10 -0.07 -0.00  0.24  0.27  0.16 129.53   5   35  0.79   20 1.31 1.00 0.36 1.002
  334_0335   16  0.21 -0.18 -0.04  0.49  0.29  0.31 537.34  14   38  0.78   24 1.31 1.01 0.36 1.001
  335_0336   18 -0.09 -0.08 -0.07  0.36  0.24  0.21 66.503   4   39  0.79   22 1.31 1.01 0.36 1.001
  336_0337   24 -0.01 -0.06 -0.16  0.27  0.26  0.31 103.28   5   46  0.78   22 1.31 1.01 0.36 1.001
  337_0338   18  0.10  0.21 -0.10  0.42  0.44  0.22 25.524   2   67  0.58   21 1.31 1.01 0.36 1.001
  338_0339   13 -0.15 -0.14 -0.10  0.52  0.49  0.24 33.129   3   62  0.68   20 1.31 1.01 0.36 1.001
  339_0340   22 -0.06  0.00  0.05  0.32  0.50  0.25 168.28   5   55  0.69   21 1.31 1.00 0.36 1.001
Background pixels updated = 97.97%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  340_0341   16  0.03 -0.08 -0.12  0.31  0.20  0.28 50.134   3   44  0.76   20 1.31 1.00 0.36 1.001
  341_0342   14  0.00  0.08  0.09  0.30  0.47  0.26 48.875   3   71  0.64   21 1.31 1.00 0.36 1.001
  342_0343   16 -0.04  0.03  0.01  0.35  0.27  0.23 70.357   4   50  0.74   20 1.31 1.00 0.36 1.002
  343_0344   18 -0.08  0.03 -0.08  0.33  0.26  0.31 127.18   5   50  0.79   22 1.31 1.00 0.36 1.001
  344_0345   20 -0.08 -0.01  0.03  0.35  0.28  0.25 78.636   4   45  0.75   25 1.31 1.00 0.36 1.001
  345_0346    8 -0.09  0.43  0.18  0.53  0.74  0.30 191.95  11   63  0.71   26 1.31 1.00 0.36 1.001
  346_0347   21 -0.10  0.06 -0.11  0.36  0.28  0.20 45.921   3   48  0.73   20 1.31 1.00 0.36 1.002
  347_0348   15 -0.15  0.04  0.06  0.46  0.31  0.34 19.762   2   67  0.66   23 1.31 1.00 0.36 1.001
  348_0349   27 -0.03 -0.11 -0.03  0.40  0.35  0.18 133.91   5   44  0.77   19 1.31 1.00 0.36 1.001
  349_0350   18 -0.01  0.05 -0.07  0.35  0.31  0.16 158.50   7   33  0.83   22 1.31 1.00 0.36 1.001
 
................
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 (261 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:  0.7107300,  0.0000089
 
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)       261         0       261    8.7912    1.0160     4.633    40.948
 
Orientation ('UB') matrix:
  -0.0674910   0.0349613  -0.0291195
  -0.0159832  -0.0541770  -0.0305186
  -0.0661115  -0.0225930   0.0281216
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5153   14.6366   19.8743    90.000    97.023    90.000       3035.85
    0.0034    0.0047    0.0054     0.000     0.008     0.000          2.64
Corrected for goodness of fit:
    0.0025    0.0035    0.0040     0.000     0.006     0.000          1.96
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.985      49.917     -64.393
Goniometer zeros (deg):          0.0000*     0.0423      0.0000*    -0.0142    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -8.4666  -0.0481   0.0166   0.1021   0.5690   0.3651
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         6.65063e+02   4.19804e+02    0.74       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 261             261             254
 Average input ESD (pix, pix, deg):          0.09838         0.09758         0.04224
 Goodness of fit:                            0.69464         0.94586         0.48749
 
Background pixels updated = 97.87%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  350_0351   14  0.13 -0.11 -0.05  0.50  0.19  0.16 123.51   5   50  0.77   19 1.31 1.00 0.36 1.001
  351_0352   19 -0.07 -0.07 -0.02  0.32  0.32  0.23 142.64   6   42  0.80   20 1.31 1.00 0.36 1.002
  352_0353   14  0.36  0.04 -0.08  0.63  0.17  0.22 73.714   3   57  0.76   20 1.31 1.00 0.36 1.001
  353_0354   12 -0.13  0.16  0.05  0.24  0.35  0.15 77.238   5   42  0.75   24 1.31 1.00 0.36 1.001
  354_0355   15  0.04  0.00 -0.16  0.57  0.33  0.28 45.031   3   53  0.73   19 1.31 1.00 0.36 1.001
  355_0356   13 -0.04 -0.05  0.04  0.21  0.39  0.27 453.22  12   46  0.78   22 1.31 1.01 0.36 1.001
  356_0357   21  0.07 -0.03 -0.09  0.26  0.22  0.16 234.53   8   29  0.81   20 1.31 1.01 0.36 1.001
  357_0358   14  0.07  0.05  0.01  0.25  0.27  0.26 47.777   3   57  0.74   20 1.31 1.01 0.36 1.002
  358_0359   18  0.19  0.10 -0.04  0.37  0.25  0.17 148.39   5   39  0.84   19 1.31 1.01 0.36 1.001
  359_0360   21 -0.08  0.04 -0.07  0.19  0.30  0.22 92.320   5   38  0.78   21 1.31 1.00 0.36 1.001
Background pixels updated = 98.42%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  360_0361   21  0.07  0.09 -0.15  0.31  0.35  0.23 29.915   2   57  0.71   19 1.31 1.00 0.36 1.001
  361_0362   18 -0.11  0.05 -0.03  0.32  0.31  0.21 89.535   4   50  0.74   19 1.31 1.00 0.36 1.002
  362_0363   14 -0.04  0.12 -0.03  0.27  0.24  0.19 92.336   6   64  0.69   23 1.31 1.00 0.36 1.002
  363_0364   12  0.11  0.15  0.20  0.29  0.26  0.35 152.57   6   58  0.73   20 1.31 1.00 0.36 1.001
  364_0365   23 -0.02 -0.07 -0.06  0.22  0.25  0.20 107.84   4   39  0.82   20 1.31 1.00 0.36 1.001
  365_0366   15  0.05 -0.02 -0.00  0.26  0.25  0.21 54.044   3   33  0.84   20 1.31 1.00 0.36 1.001
  366_0367   13 -0.13  0.04 -0.13  0.39  0.30  0.29 89.661   4   77  0.64   21 1.31 1.00 0.36 1.001
  367_0368    8 -0.12  0.05 -0.02  0.31  0.19  0.11 143.68   5   50  0.85   27 1.31 1.00 0.36 1.002
  368_0369   12 -0.02  0.10 -0.13  0.32  0.27  0.20 37.071   2   58  0.75   19 1.31 1.00 0.36 1.001
  369_0370   24  0.17  0.12  0.03  0.43  0.24  0.25 63.351   3   54  0.70   19 1.31 1.00 0.36 1.001
  370_0371   23  0.00 -0.05 -0.13  0.32  0.26  0.21 105.37   6   48  0.78   23 1.31 1.00 0.36 1.001
  371_0372   16 -0.03  0.01 -0.02  0.52  0.39  0.26 24.910   2   63  0.65   25 1.31 1.00 0.36 1.001
  372_0373   18  0.03  0.02  0.02  0.24  0.26  0.16 151.30   5   56  0.78   20 1.31 1.00 0.36 1.002
  373_0374   15  0.10  0.03 -0.01  0.36  0.33  0.24 15.782   1   87  0.60   20 1.31 1.00 0.36 1.001
  374_0375   20 -0.04  0.01 -0.03  0.32  0.37  0.21 72.218   4   40  0.78   20 1.31 1.00 0.36 1.001
  375_0376   13  0.01  0.07 -0.07  0.22  0.29  0.20 101.38   5   38  0.80   18 1.31 1.00 0.36 1.002
  376_0377   13 -0.15 -0.03 -0.15  0.40  0.23  0.27 81.822   6   38  0.83   24 1.31 1.00 0.36 1.002
  377_0378   16 -0.08 -0.06  0.01  0.31  0.39  0.15 96.819   5   44  0.79   23 1.31 1.00 0.35 1.002
  378_0379   18  0.03  0.17  0.03  0.53  0.33  0.18 34.790   3   61  0.65   22 1.31 1.00 0.35 1.001
  379_0380   18 -0.12 -0.04 -0.03  0.56  0.39  0.20 73.562   4   44  0.80   20 1.31 1.00 0.35 1.001
Background pixels updated = 98.03%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  380_0381   25 -0.11 -0.05 -0.08  0.24  0.23  0.17 142.91  10   40  0.79   25 1.31 1.00 0.35 1.001
  381_0382   19  0.05 -0.02 -0.03  0.31  0.30  0.30 117.04   6   37  0.83   27 1.31 1.00 0.35 1.001
  382_0383   20 -0.09  0.01 -0.01  0.33  0.29  0.23 49.163   3   45  0.76   21 1.31 1.00 0.35 1.002
  383_0384   18 -0.02 -0.26 -0.15  0.37  0.54  0.31 116.90   3   72  0.59   20 1.31 1.00 0.35 1.002
  384_0385   16  0.02 -0.05 -0.09  0.27  0.30  0.20 79.293   5   38  0.79   20 1.31 1.00 0.35 1.001
  385_0386   13 -0.23 -0.04 -0.06  0.38  0.29  0.23 102.08   6   54  0.74   24 1.31 1.00 0.35 1.002
  386_0387   17 -0.08  0.13 -0.03  0.19  0.33  0.20 57.689   3   35  0.80   25 1.31 1.00 0.35 1.002
  387_0388   17 -0.02  0.04 -0.08  0.35  0.37  0.28 28.169   2   71  0.65   22 1.31 1.00 0.35 1.002
  388_0389   13 -0.05 -0.01 -0.01  0.28  0.29  0.18 34.697   2   69  0.67   19 1.31 1.00 0.35 1.001
  389_0390   22  0.05  0.03 -0.10  0.37  0.31  0.22 191.15   7   55  0.75   20 1.31 1.00 0.35 1.001
  390_0391   17 -0.14  0.05 -0.05  0.43  0.17  0.17 66.114   3   47  0.80   21 1.31 1.00 0.35 1.001
  391_0392   19  0.12 -0.11 -0.01  0.45  0.36  0.20 148.91   5   47  0.70   20 1.31 1.00 0.35 1.002
  392_0393   16 -0.04 -0.07 -0.04  0.27  0.31  0.21 115.13   6   50  0.78   20 1.31 1.00 0.35 1.002
  393_0394   19 -0.01  0.14 -0.03  0.27  0.27  0.18 311.55  10   32  0.82   22 1.31 1.00 0.35 1.002
  394_0395   12 -0.03 -0.02 -0.05  0.37  0.40  0.20 87.446   5   42  0.77   19 1.31 1.00 0.35 1.001
  395_0396   18 -0.04  0.07 -0.02  0.18  0.39  0.22 69.514   4   56  0.68   22 1.31 1.00 0.35 1.001
  396_0397   14 -0.04 -0.11 -0.12  0.23  0.28  0.22 92.058   4   57  0.71   20 1.31 1.00 0.35 1.002
  397_0398   19 -0.15  0.05 -0.06  0.28  0.17  0.22 170.19   7   37  0.84   19 1.31 1.00 0.35 1.001
  398_0399   20  0.07 -0.06  0.01  0.33  0.34  0.2     140.018      49.889     -64.374
Goniometer zeros (deg):          0.0000*     0.0440      0.0000*    -0.0092    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -8.6570   0.0409   0.0267   0.1180   0.5581   0.3757
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.84058e+03   1.42760e+03    1.37       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 261             261             250
 Average input ESD (pix, pix, deg):          0.09941         0.09792         0.04431
 Goodness of fit:                            2.05455         0.91975         0.64834
 
Background pixels updated = 97.95%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  450_0451   22 -0.18  0.12 -0.07  0.50  0.28  0.30 94.974   4   45  0.71   20 1.31 1.01 0.35 1.001
  451_0452   15 -0.14  0.09  0.04  0.49  0.29  0.24 192.08   6   47  0.73   21 1.31 1.01 0.35 1.001
  452_0453   14 -0.13 -0.01 -0.05  0.42  0.32  0.16 113.34   4   57  0.79   25 1.31 1.01 0.35 1.001
  453_0454   19 -0.18 -0.03 -0.03  0.49  0.26  0.18 45.355   3   58  0.69   20 1.31 1.01 0.35 1.001
  454_0455   18 -0.15 -0.04 -0.05  0.41  0.40  0.16 160.60   6   39  0.81   22 1.31 1.01 0.35 1.001
  455_0456   14 -0.09  0.02 -0.03  0.35  0.37  0.21 64.694   4   29  0.78   22 1.31 1.01 0.35 1.001
  456_0457   15 -0.17  0.16 -0.10  0.37  0.36  0.22 164.38   8   40  0.78   22 1.31 1.01 0.35 1.001
  457_0458   22 -0.18  0.06 -0.03  0.47  0.21  0.17 123.65   6   41  0.81   24 1.31 1.01 0.35 1.001
  458_0459   17 -0.07  0.01 -0.05  0.54  0.33  0.12 130.00   5   53  0.73   20 1.31 1.01 0.35 1.001
  459_0460   17 -0.12  0.17 -0.10  0.26  0.37  0.28 60.488   4   53  0.79   22 1.31 1.01 0.35 1.001
Background pixels updated = 97.89%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  460_0461   11 -0.28 -0.10 -0.15  0.39  0.27  0.30 62.885   5   36  0.79   19 1.31 1.01 0.35 1.001
  461_0462   19 -0.25 -0.06 -0.08  0.42  0.32  0.22 69.961   4   68  0.76   17 1.31 1.01 0.35 1.001
  462_0463   11 -0.06 -0.08 -0.09  0.38  0.27  0.16 46.756   3   36  0.79   21 1.31 1.01 0.35 1.001
  463_0464   20 -0.31  0.04 -0.06  0.37  0.20  0.26 190.08   7   35  0.83   20 1.31 1.01 0.35 1.001
  464_0465   25 -0.06 -0.11 -0.03  0.30  0.38  0.21 136.73   6   40  0.77   22 1.31 1.01 0.35 1.001
  465_0466   18 -0.20  0.01 -0.09  0.59  0.26  0.25 84.411   5   39  0.78   22 1.31 1.01 0.35 1.001
  466_0467   15 -0.13 -0.02 -0.04  0.37  0.34  0.22 89.625   5   53  0.75   22 1.31 1.01 0.35 1.001
  467_0468   15 -0.16 -0.17 -0.04  0.29  0.40  0.26 162.09   6   40  0.77   19 1.31 1.01 0.35 1.001
  468_0469   21 -0.12 -0.06  0.01  0.41  0.32  0.34 102.28   4   57  0.75   20 1.31 1.01 0.35 1.001
  469_0470   14  0.10  0.11  0.13  0.55  0.25  0.20 85.921   4   50  0.74   20 1.31 1.01 0.35 1.001
  470_0471   18 -0.10  0.03  0.06  0.39  0.32  0.14 182.01   6   61  0.69   22 1.31 1.01 0.35 1.001
  471_0472   12 -0.08 -0.06 -0.11  0.31  0.45  0.28 52.815   4   50  0.72   23 1.31 1.01 0.35 1.001
  472_0473   16 -0.12  0.15 -0.08  0.26  0.37  0.39 31.047   2   56  0.70   19 1.31 1.01 0.35 1.002
  473_0474   24 -0.22 -0.05 -0.09  0.34  0.33  0.24 216.44   8   38  0.82   22 1.31 1.00 0.35 1.002
  474_0475   15  0.00  0.08 -0.11  0.37  0.28  0.22 168.20   5   47  0.72   20 1.31 1.00 0.35 1.001
  475_0476   16 -0.13 -0.01  0.03  0.34  0.17  0.17 194.64   7   13  0.90   21 1.31 1.00 0.35 1.001
  476_0477   15 -0.16  0.02 -0.04  0.34  0.19  0.18 120.33   6   33  0.84   20 1.31 1.00 0.35 1.001
  477_0478   14 -0.25 -0.08 -0.08  0.41  0.29  0.16 135.93   6   57  0.77   20 1.31 1.00 0.35 1.001
  478_0479   14 -0.01  0.18  0.05  0.33  0.43  0.27 68.422   3   50  0.76   24 1.31 1.00 0.35 1.001
  479_0480   18 -0.11  0.14 -0.11  0.25  0.41  0.22 96.631   3   44  0.73   20 1.31 1.00 0.35 1.002
Background pixels updated = 98.07%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  480_0481   15 -0.19  0.02 -0.04  0.47  0.20  0.19 36.382   2   47  0.73   23 1.31 1.00 0.35 1.001
  481_0482   19 -0.06  0.08  0.02  0.47  0.28  0.20 79.429   4   53  0.75   20 1.31 1.00 0.35 1.001
  482_0483   19 -0.12 -0.01 -0.16  0.34  0.35  0.29 55.037   3   63  0.64   25 1.31 1.00 0.35 1.002
  483_0484   17 -0.25  0.06 -0.07  0.43  0.30  0.23 140.64   5   35  0.81   22 1.31 1.00 0.35 1.001
  484_0485   26 -0.17  0.07 -0.11  0.29  0.35  0.19 91.723   4   38  0.80   21 1.31 1.00 0.35 1.001
  485_0486   17 -0.20  0.08 -0.08  0.30  0.19  0.12 101.96   5   18  0.88   24 1.31 1.00 0.35 1.002
  486_0487   15 -0.23  0.12 -0.13  0.43  0.40  0.21 173.86   6   33  0.80   22 1.31 1.00 0.35 1.001
  487_0488   13 -0.21  0.04 -0.02  0.35  0.20  0.18 126.63   6   38  0.80   21 1.31 1.00 0.35 1.002
  488_0489   18 -0.04  0.02 -0.10  0.42  0.24  0.28 106.05   5   50  0.75   23 1.31 1.00 0.35 1.001
  489_0490   16 -0.05 -0.11 -0.12  0.34  0.29  0.23 117.18   5   50  0.77   19 1.31 1.00 0.35 1.001
  490_0491   12 -0.11 -0.05 -0.09  0.33  0.43  0.34 146.55   5   58  0.71   19 1.31 1.00 0.35 1.001
  491_0492   15 -0.13  0.15 -0.04  0.29  0.26  0.21 146.91   6   33  0.79   18 1.31 1.00 0.35 1.001
  492_0493   13 -0.18  0.11 -0.03  0.26  0.46  0.20 527.25  11   31  0.82   22 1.31 1.00 0.35 1.001
  493_0494   21 -0.03 -0.01 -0.09  0.40  0.46  0.26 100.56   5   43  0.76   20 1.31 1.00 0.35 1.001
  494_0495   23 -0.15  0.04 -0.14  0.34  0.31  0.23 56.039   3   43  0.80   19 1.31 1.00 0.35 1.001
  495_0496   20 -0.17 -0.01  0.03  0.30  0.27  0.16 33.293   2   45  0.79   22 1.31 1.00 0.35 1.001
  496_0497   15 -0.20 -0.02 -0.10  0.35  0.30  0.21 85.270   5   27  0.88   23 1.31 1.00 0.35 1.001
  497_0498   20 -0.16 -0.00 -0.00  0.42  0.35  0.16 134.00   5   50  0.71   24 1.31 1.00 0.35 1.001
  498_0499   24 -0.09  0.03 -0.06  0.43  0.31  0.15 69.367   4   38  0.83   22 1.31 1.00 0.35 1.002
  499_0500   13 -0.20 -0.01 -0.03  0.28  0.41  0.13 137.01   6   38  0.83   26 1.31 1.00 0.35 1.001
 
................
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 (261 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:  0.7107300,  0.0000089
 
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)       261         0       261    8.5029    0.9532     4.791    43.778
 
Orientation ('UB') matrix:
  -0.0675525   0.0349187  -0.0291111
  -0.0161357  -0.0539681  -0.0305818
  -0.0660976  -0.0225126   0.0281585
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5098   14.6826   19.8552    90.000    97.069    90.000       3040.58
    0.0037    0.0061    0.0063     0.000     0.007     0.000          3.14
Corrected for goodness of fit:
    0.0050    0.0083    0.0086     0.000     0.010     0.000          4.28
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          140.078      49.866     -64.384
Goniometer zeros (deg):          0.0000*     0.0407      0.0000*     0.0295    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -9.0096  -0.0220   0.0314   0.1947   0.5554   0.4178
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.80347e+03   1.41074e+03    1.36       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 261             261             254
 Average input ESD (pix, pix, deg):          0.10116         0.09803         0.04442
 Goodness of fit:                            2.02690         0.91200         0.69128
 
BG snapshot written to /home/isengard/data/kla0410/work/bg_snap_01_0005.sfrm
 
I/Sigma = 24.24   Thresh = 0.020   Blend = F   #Contributing = 415   InitialProfileWt = 0.000
Region 1
Sum = 8111.15;   Maximum = 169.167;   FM = 0.968
!Region 1: Section 1->3
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!Region 1: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.03978;   Maximum = 0.0213852;   FM = 0.985
!Region 2: Section 1->3
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I/Sigma = 14.07   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.513
Region 3
Sum = 2178.5;   Maximum = 46.5941;   FM = 0.98
!Region 3: Section 1->3
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     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    208    148    202    200 35.6   131.914   8.37    2.03 0.049 -0.008  0.4 0.000 0.101  0.00-.03 .03 .02 .30 .29 .21
    30.000    597    403    558    541 29.1   144.044   8.84    2.02 0.052 -0.009  0.4 0.000 0.108  0.00-.02-.03-.03 .30 .26 .19
    60.000    952    604    884    795 32.4   163.723   9.75    2.00 0.049  0.001  0.4 0.000 0.102  0.00-.01-.04-.02 .31 .26 .19
    90.000   1266    751   1170    965 37.8   149.891   9.65    1.97 0.051  0.002  0.4 0.000 0.103  0.00-.00-.01-.02 .35 .28 .21
   120.000   1496    835   1407   1063 43.6   149.777  10.40    1.95 0.050  0.002  0.4 0.123 0.101  0.90-.01-.02-.03 .36 .28 .23
   150.000   1655    842   1571   1089 50.9   121.064   9.55    1.91 0.055  0.004  0.5 0.000 0.112  1.15-.01-.02-.02 .38 .33 .24
   180.000   1734    787   1648   1054 54.9    88.936   7.77    1.87 0.069 -0.001  0.5 0.029 0.134  0.89-.00-.02-.02 .41 .33 .26
   210.000   1310    598   1268    834 53.6    65.552   6.08    1.83 0.070 -0.007  0.5 0.303 0.145  0.90 .01 .00-.01 .40 .35 .27
   240.000    695    311    682    470 50.8    62.946   6.30    1.78 0.080  0.001  0.6 0.062 0.149  0.90-.01 .00-.00 .37 .34 .25
   270.000    146     66    146    110 51.4    70.361   8.61    1.69 0.068  0.007  0.7 0.000 0.135  0.90-.00-.02 .05 .39 .34 .36
   300.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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   1563    690   1152   1422 19.4   295.570  18.56    1.99 0.047 -0.011  0.6 0.061 0.100  0.90-.02 .02 .02 .29 .21 .19
     2.000   3523   1414   2736   2648 56.6    46.558   3.76    1.88 0.093 -0.015  0.4 0.000 0.190  0.00 .03 .00-.04 .40 .34 .25
     3.000   1569    781   1214   1215 23.7   255.498  17.14    1.99 0.040  0.014  0.5 0.067 0.087  0.90-.07-.07 .03 .28 .25 .21
     4.000   3404   1387   2982   1836 57.1    44.277   3.65    1.87 0.097  0.012  0.4 0.000 0.190  0.00-.00-.02-.03 .40 .34 .26
     5.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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   1875   1084   1615   1625 32.1   151.005   9.23    2.01 0.050 -0.003  0.4 0.000 0.107  0.00-.01-.03-.02 .31 .26 .19
     2.000   1260    591   1190    661 72.1    22.085   2.06    1.85 0.166 -0.004  0.4 0.000 0.323  0.00-.00-.01-.04 .46 .35 .27
     3.000   1713    712   1440   1284 61.9    33.508   2.85    1.86 0.127 -0.017  0.4 0.000 0.254  0.00 .03 .00-.04 .43 .35 .27
     4.000   1117    504    985    972 34.7    90.762   6.75    1.91 0.062 -0.006  0.4 0.000 0.123  0.00 .02 .03-.01 .33 .30 .21
     5.000    578    265    490    522 14.5   336.649  22.70    1.97 0.049 -0.017  0.8 0.099 0.108  0.90-.02 .03 .03 .29 .20 .20
     6.000    275    135    200    228 13.1   761.257  39.78    2.22 0.037  0.004  1.0 0.031 0.080  0.90-.07-.02 .04 .30 .18 .19
     7.000    564    330    454    452 19.7   293.328  20.62    1.96 0.041  0.014  0.6 0.123 0.084  0.90-.10-.09 .06 .27 .23 .24
     8.000   1088    510   1002    596 39.4    80.322   6.30    1.90 0.064  0.018  0.4 0.000 0.131  0.00-.02-.07 .00 .30 .30 .21
     9.000   1589    673   1481    781 62.5    32.156   2.80    1.83 0.129  0.018  0.4 0.000 0.254  0.00-.00-.01-.04 .41 .36 .28
    10.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.raw)
    Frame#      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     1.610    495      8    491    257 47.7    95.243   6.47    2.03 0.056 -0.008  0.4 0.123 0.106  0.90-.01-.01-.03 .34 .27 .27
    31.409    499     10    497    222 48.1   104.861   7.88    1.95 0.046  0.001  0.4 0.000 0.065  1.15 .07-.02-.01 .34 .30 .23
    61.209    520     17    495    232 44.4   100.734   7.64    1.93 0.050 -0.009  0.4 0.303 0.121  1.15 .12-.03 .03 .37 .29 .25
    91.008    489     29    468    212 42.9   113.872   8.18    1.92 0.051 -0.009  0.5 0.023 0.114  0.81 .17-.02 .05 .40 .31 .23
   120.808    514     75    513    240 49.0   118.184   9.10    1.92 0.066 -0.035  0.5 0.000 0.127  0.00 .16-.02 .04 .37 .32 .25
   150.607    497    141    496    271 43.9   104.892   8.03    1.91 0.059 -0.032  0.5 0.000 0.113  0.00 .14-.00 .07 .42 .29 .26
   180.407    475    190    475    264 46.1   100.515   7.88    1.92 0.059 -0.028  0.5 0.000 0.110  0.00 .07-.01 .02 .37 .30 .28
   210.206    519    283    519    348 47.8   113.685   8.77    1.91 0.054 -0.025  0.5 0.000 0.101  0.00 .03 .03-.01 .34 .32 .24
   240.006    507    356    507    366 45.8   120.003   9.08    1.91 0.058 -0.034  0.5 0.000 0.116  0.90-.01 .03-.03 .35 .29 .23
   269.805    501    409    501    413 50.9   101.362   8.31    1.90 0.057 -0.025  0.4 0.118 0.114  1.10-.05-.00-.03 .36 .33 .27
   299.605    502    429    502    432 47.6   110.912   8.80    1.91 0.050 -0.023  0.4 0.000 0.100  0.00-.00 .00-.05 .34 .33 .23
   329.404    507    448    506    450 46.4   128.158   9.59    1.90 0.047 -0.012  0.4 0.000 0.093  1.10-.01-.00-.04 .36 .32 .24
   359.204    503    433    499    440 51.7    83.824   7.27    1.89 0.053 -0.003  0.4 0.024 0.103  0.81-.02 .02-.05 .34 .32 .23
   389.003    499    438    492    445 47.3   118.260   9.42    1.89 0.047 -0.000  0.4 0.000 0.094  0.00-.06 .02-.05 .35 .32 .24
   418.803    508    456    499    466 41.9   129.159   9.55    1.89 0.049  0.004  0.4 0.000 0.097  0.81-.10 .03-.07 .39 .29 .23
   448.602    504    468    499    474 45.2   124.266   9.16    1.89 0.048  0.014  0.4 0.000 0.097  0.00-.14 .01-.04 .40 .32 .23
   478.402    512    477    509    481 41.2   122.842   9.09    1.89 0.054  0.024  0.4 0.189 0.108  1.15-.14 .01-.05 .38 .33 .21
   508.201    502    426    500    428 43.8   146.295  10.79    1.89 0.060  0.032  0.5 0.000 0.120  0.00-.16-.06-.02 .39 .31 .19
   538.001    505    362    504    364 42.8   154.411  10.92    1.89 0.066  0.047  0.6 0.098 0.128  0.92-.10-.12-.03 .40 .32 .22
   567.800    501    308    499    316 42.5   148.550  10.36    1.89 0.076  0.062  0.7 0.000 0.153  0.00-.09-.14-.02 .34 .32 .22
   597.600
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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 .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    423    258    422    265 42.1   154.856  10.68    1.89 0.077  0.062  0.7 0.000 0.155  0.00-.08-.14-.02 .33 .32 .21
   160.000    561    398    559    401 43.1   152.564  10.84    1.89 0.066  0.049  0.6 0.098 0.128  0.92-.10-.13-.03 .40 .32 .22
   170.000    556    470    554    472 43.9   146.978  10.81    1.89 0.059  0.033  0.5 0.000 0.118  0.00-.15-.06-.02 .39 .31 .20
   180.000    567    526    561    533 40.6   123.070   8.96    1.89 0.052  0.021  0.4 0.189 0.104  1.15-.14 .01-.05 .37 .32 .20
   190.000    569    522    559    533 43.9   121.666   9.01    1.89 0.050  0.011  0.4 0.000 0.099  0.00-.13 .02-.05 .39 .31 .23
   200.000    580    515    568    528 45.0   123.749   9.66    1.89 0.048  0.007  0.4 0.000 0.096  0.81-.08 .02-.07 .39 .30 .25
   210.000    552    472    539    487 48.7   101.284   8.42    1.89 0.048 -0.008  0.4 0.024 0.095  0.81-.05 .01-.05 .35 .33 .23
   220.000    556    483    553    487 50.4   101.517   8.08    1.90 0.053 -0.008  0.4 0.000 0.105  0.00 .00 .03-.03 .36 .31 .23
   230.000    578    500    578    503 47.1   126.126   9.63    1.90 0.047 -0.019  0.4 0.000 0.094  1.10-.01-.02-.06 .34 .32 .23
   240.000    554    455    554    459 49.5   101.212   8.26    1.91 0.056 -0.026  0.4 0.118 0.113  1.10-.04 .01-.04 .35 .32 .27
   250.000    563    401    563    412 46.4   118.434   9.01    1.91 0.056 -0.032  0.5 0.000 0.113  0.90-.01 .02-.02 .35 .29 .23
   260.000    566    307    566    376 47.5   108.590   8.52    1.91 0.055 -0.026  0.5 0.000 0.104  0.00 .02 .03-.01 .34 .32 .25
   270.000    554    205    554    309 45.8   104.274   8.07    1.91 0.055 -0.025  0.5 0.000 0.104  0.00 .10-.00 .04 .38 .30 .27
   280.000    564    133    564    292 45.6   115.330   8.70    1.92 0.059 -0.032  0.5 0.000 0.110  0.00 .14-.02 .08 .41 .32 .26
   290.000    552     57    544    241 48.7   111.045   8.50    1.92 0.066 -0.031  0.5 0.000 0.143  0.00 .16-.01 .03 .40 .30 .24
   300.000    574     22    538    257 41.3   112.619   8.19    1.92 0.052 -0.007  0.4 0.024 0.131  0.83 .15-.02 .03 .37 .29 .25
   310.000    553     13    548    249 46.3    90.923   6.91    1.94 0.044 -0.000  0.4 0.000 0.053  0.00 .09-.02 .01 .35 .29 .23
   320.000    572     11    567    288 47.6   108.520   7.54    2.01 0.054 -0.005  0.4 0.123 0.097  0.91-.00-.02-.05 .34 .29 .26
   330.000     65      0     65     29 56.9    52.714   3.57    2.09 0.081 -0.003  0.3 0.000 0.000  0.00-.03-.00 .09 .37 .30 .30
   340.000      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
   350.000      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
   360.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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    470      8    468    244 47.4    94.375   6.41    2.03 0.056 -0.008  0.4 0.123 0.104  0.90-.02-.02-.03 .34 .27 .27
     0.083    483     11    481    216 48.2   103.933   7.72    1.96 0.046  0.002  0.4 0.000 0.062  1.15 .07-.01-.01 .34 .30 .23
     0.166    494     16    475    218 46.0   101.815   7.83    1.93 0.049 -0.008  0.4 0.303 0.103  1.15 .12-.02 .03 .37 .30 .24
     0.249    543     30    515    241 42.0   114.369   8.16    1.93 0.052 -0.010  0.5 0.023 0.118  0.81 .16-.03 .04 .39 .30 .23
     0.332    495     68    494    228 48.7   112.278   8.73    1.92 0.070 -0.036  0.5 0.000 0.136  0.00 .16-.01 .04 .37 .31 .25
     0.415    480    128    479    256 44.4   108.584   8.24    1.92 0.058 -0.032  0.5 0.000 0.110  0.00 .14-.01 .07 .42 .30 .26
     0.498    516    206    516    289 45.9   100.882   7.93    1.92 0.057 -0.026  0.5 0.000 0.107  0.00 .08-.01 .03 .37 .30 .28
     0.581    503    272    503    337 47.7   114.695   8.90    1.91 0.053 -0.026  0.5 0.000 0.101  0.00 .03 .03-.01 .34 .32 .24
     0.664    482    336    482    347 45.4   119.009   8.89    1.91 0.058 -0.032  0.5 0.000 0.115  0.90-.01 .03-.02 .34 .28 .23
     0.747    495    399    495    403 50.7   109.838   8.85    1.91 0.057 -0.028  0.5 0.118 0.114  1.10-.04-.01-.04 .36 .33 .26
     0.830    543    462    543    465 47.9   105.795   8.49    1.91 0.052 -0.023  0.4 0.000 0.103  0.00-.01 .00-.05 .34 .33 .24
     0.913    483    428    483    429 47.2   126.812   9.59    1.90 0.046 -0.012  0.4 0.000 0.092  1.10-.02-.01-.04 .36 .33 .24
     0.996    489    416    480    428 49.9    87.205   7.39    1.89 0.051 -0.004  0.4 0.024 0.098  0.81-.01 .02-.05 .34 .31 .22
     1.079    540    469    528    481 48.3   115.199   9.31    1.89 0.048 -0.001  0.4 0.000 0.095  0.00-.06 .02-.06 .35 .32 .24
     1.162    488    438    479    448 41.8   126.255   9.29    1.89 0.051  0.004  0.4 0.000 0.100  0.81-.09 .02-.07 .39 .29 .23
     1.245    498    461    494    466 45.0   127.593   9.47    1.89 0.048  0.014  0.4 0.000 0.096  0.00-.14 .02-.05 .40 .31 .23
     1.328    548    511    544    516 42.0   121.447   9.00    1.89 0.053  0.023  0.4 0.189 0.107  1.15-.14 .01-.05 .37 .33 .21
     1.411    478    407    477    408 44.1   150.092  10.96    1.89 0.059  0.032  0.5 0.000 0.118  0.00-.16-.07-.02 .39 .31 .19
     1.494    499    362    499    363 42.5   150.214  10.73    1.89 0.065  0.046  0.5 0.096 0.129  1.10-.09-.11-.03 .40 .32 .22
     1.577    532    330    530    338 42.5   149.451  10.41    1.89 0.075  0.062  0.7 0.099 0.150  0.90-.09-.14-.02 .34 .32 .22
     1.660
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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  10059   2900   6496   7121 45.8   117.069   8.83    1.91 0.056 -0.000  0.5 0.064 0.108  0.90-.01-.01-.02 .37 .31 .24
     2.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.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   1289    469   1134    733100.0    -1.234  -0.23    1.86 1.013 -0.698  0.4 0.000 2.270  0.00 .00 .00-.06 .56 .49 .34
     0.100    406    185    386    250100.0     1.957   0.34    1.87 0.896 -0.082  0.3 0.000 1.753  0.00-.00 .00-.03 .50 .46 .32
     0.200    395    200    381    256100.0     2.891   0.49    1.86 0.707 -0.021  0.4 0.000 1.473  0.00 .03 .02-.04 .48 .44 .33
     0.300    365    195    354    242100.0     4.519   0.73    1.86 0.485  0.041  0.4 0.000 1.010  0.00 .01-.01-.01 .47 .43 .34
     0.400    399    198    382    256 98.7     5.672   0.87    1.87 0.446 -0.004  0.4 0.000 0.883  0.00 .03-.03-.06 .47 .40 .32
     0.500    416    204    399    258 97.8     8.097   1.15    1.87 0.317  0.041  0.4 0.000 0.671  0.00-.02-.03-.01 .43 .38 .32
     0.600    516    264    486    339 92.1    11.114   1.41    1.87 0.270 -0.006  0.4 0.000 0.540  0.00-.01-.00-.03 .40 .34 .26
     0.700    509    259    488    319 77.2    16.508   1.78    1.88 0.221 -0.007  0.4 0.000 0.462  0.00-.02 .00-.03 .34 .30 .25
     0.800   1105    501    971    761 39.3    27.698   2.42    1.88 0.149 -0.000  0.4 0.000 0.317  1.15 .00-.02-.03 .33 .26 .22
     0.900   4659   1614   2959   3707  1.2   241.516  12.15    1.96 0.048  0.001  0.5 0.064 0.095  0.90-.02-.02 .01 .24 .16 .14
     1.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_01.raw)
   Missing      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000  10023   2900   6485   7096 45.9   117.223   8.84    1.91 0.056 -0.000  0.5 0.064 0.108  0.90-.01-.  83  0.46   38 0.37 0.37 1.03 1.002
   33_0034   17 -0.76  0.24 -0.56  1.13  0.43  1.29 25.433   2   76  0.59   48 0.37 0.37 1.03 1.002
   34_0035   22 -0.45  0.31 -0.39  0.82  0.52  0.71 9.6664   1   86  0.52   39 0.37 0.37 1.03 1.002
   35_0036   17 -0.07 -0.02 -0.11  0.54  0.35  0.42 1.4293   0  100  0.37   37 0.37 0.37 1.03 1.002
   36_0037   22 -0.42  0.16 -0.23  0.76  0.42  0.61 8.0112   1   91  0.44   36 0.37 0.37 1.03 1.002
   37_0038   12 -0.28  0.14 -0.14  0.54  0.32  0.63 10.302   1   92  0.37   36 0.37 0.37 1.03 1.002
   38_0039   10 -0.44 -0.09 -0.19  0.66  0.43  0.51 4.2904   0   90  0.52   44 0.37 0.37 1.03 1.002
   39_0040   10 -0.46  0.20 -0.33  0.81  0.49  1.12 5.6081   1   90  0.39   39 0.37 0.37 1.03 1.002
Background pixels updated = 97.38%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   40_0041   18 -0.46  0.11 -0.50  0.96  0.34  1.15 21.707   1   89  0.58   38 0.37 0.37 1.03 1.002
   41_0042   23 -0.25  0.23 -0.28  0.63  0.34  0.55 6.8597   1   87  0.41   37 0.37 0.37 1.03 1.002
   42_0043   13 -0.31  0.04 -0.30  0.60  0.34  0.70 8.0602   1   92  0.40   42 0.37 0.37 1.03 1.002
   43_0044   20 -0.51  0.16 -0.30  0.91  0.48  1.18 17.453   1   90  0.48   38 0.37 0.37 1.03 1.002
   44_0045   12 -0.02  0.03 -0.27  0.61  0.43  0.54 6.6724   1   92  0.45   37 0.37 0.37 1.03 1.002
   45_0046   14  0.01  0.15 -0.17  0.50  0.42  0.41 3.2485   1   93  0.42   39 0.37 0.37 1.03 1.002
   46_0047   21 -0.43  0.20 -0.27  0.73  0.50  0.58 10.958   1   90  0.44   37 0.37 0.37 1.03 1.002
   47_0048   19 -0.32 -0.03 -0.05  0.76  0.52  0.44 3.4144   0   95  0.38   37 0.37 0.37 1.03 1.002
   48_0049   15 -0.47  0.18 -0.44  0.92  0.46  0.91 6.0661   1   80  0.43   43 0.37 0.37 1.03 1.002
   49_0050   19 -0.49  0.13 -0.26  0.83  0.47  0.79 4.8749   1   95  0.51   40 0.37 0.37 1.03 1.002
   50_0051   15 -0.54 -0.02 -0.48  0.85  0.48  1.09 9.1773   1   73  0.51   40 0.37 0.37 1.03 1.002
   51_0052   17 -0.48  0.21 -0.27  0.96  0.60  0.72 8.1671   1   82  0.44   36 0.37 0.37 1.03 1.002
   52_0053   15 -0.36  0.18 -0.21  0.76  0.50  0.40 5.7142   1   93  0.28   36 0.37 0.37 1.03 1.002
 
I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 1
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!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 = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!Region 2: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!Region 3: Section 1->3
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!Region 3: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!Region 4: Section 1->3
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!Region 4: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 5
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!Region 5: Section 1->3
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!Region 5: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 6
Sum = 1.05516;   Maximum = 0.0486858;   FM = -0.0779
!Region 6: Section 1->3
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!Region 6: Section 4->6
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I/Sigma = 21.02   Thresh = 0.020   Blend = F   #Contributing = 2   InitialProfileWt = 0.766
Region 6
Sum = 3094.54;   Maximum = 80.7952;   FM = 0.0024
!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 = 14.58   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.513
Region 7
Sum = 2813.25;   Maximum = 111.676;   FM = -0.0628
!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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 8
Sum = 1.04253;   Maximum = 0.0411617;   FM = -0.0621
!Region 8: Section 1->3
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!Region 8: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.04253;   Maximum = 0.0411617;   FM = -0.0621
!Region 9: Section 1->3
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!Region 9: Section 4->6
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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.
Very few spots fit within the frame queue; larger queue or smaller spot Z might help.
 
Old XYZ spot size:              0.370   0.370   1.030
New XYZ spot size:              1.059   1.359   0.881
Average missing volume:         0.033
% with too much missing I:      1.896
Fractional overlap in H,K,L:    0.000   0.000   0.000
 
End of pass 2.  Repeating shape determination...
 
Repeat orientation and spot-shape refinement ============= 06/23/2013 11:59:45
 
Current XYZ spot size:            1.059   1.359   0.881
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.148   0.183   0.188
Profile convolver halfwidth:       1.09    1.00    1.90
Background pixels updated = 91.50%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   19 0.00 0.00 0.88 1.002
    1_0002    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   21 0.00 0.00 0.88 1.002
    2_0003    2 -0.23 -0.18  0.26  0.51  0.35  0.27 -0.318   0  100  0.17   26 0.00 0.00 0.88 1.002
    3_0004   11 -1.71  0.74 -0.34  2.15  0.88  0.55 46.591   2   55  0.16   37 0.00 0.00 0.88 1.002
    4_0005   22 -0.70  0.49 -0.27  1.13  0.62  0.54 24.344   1   82  0.13   35 0.00 0.00 0.88 1.002
    5_0006   14 -1.81  0.58 -0.49  2.24  0.77  0.73 66.199   3   64  0.12   30 1.93 2.59 0.88 1.002
    6_0007   12 -0.94  0.38 -0.30  1.46  0.54  0.55 80.556   3   67  0.29   33 1.46 2.24 0.88 1.002
    7_0008   17 -0.99  0.26 -0.24  1.42  0.67  0.57 49.525   2   71  0.45   34 1.31 2.12 0.88 1.002
    8_0009   18 -1.06  0.38 -0.27  1.54  0.78  0.53 42.925   2   61  0.48   31 1.31 2.12 0.88 1.002
    9_0010   16 -0.49  0.04 -0.14  1.07  0.50  0.51 13.519   1   69  0.42   35 1.31 2.12 0.88 1.002
   10_0011   15 -0.93  0.37 -0.24  1.30  0.62  0.55 91.673   4   40  0.51   34 1.38 2.27 0.88 1.002
   11_0012   13 -0.98  0.32 -0.42  1.38  0.54  0.70 68.885   2   62  0.55   36 1.37 2.23 0.88 1.002
   12_0013   17 -1.01  0.53 -0.43  1.51  0.81  0.62 42.447   2   47  0.48   40 1.37 2.23 0.88 1.002
   13_0014   21 -1.15  0.32 -0.33  1.73  0.73  0.98 70.411   3   62  0.53   37 1.28 2.04 0.88 1.002
   14_0015   16 -1.21  0.52 -0.28  1.59  0.74  0.38 78.672   3   50  0.54   34 1.32 2.11 0.86 1.002
   15_0016   17 -1.30  0.51 -0.32  1.78  0.79  0.68 62.007   3   47  0.62   35 1.32 2.11 0.86 1.002
   16_0017   17 -0.88  0.46 -0.26  1.36  0.73  0.57 37.584   2   59  0.49   37 1.32 2.11 0.86 1.002
   17_0018   12 -0.73  0.36 -0.41  1.49  0.64  0.73 133.23   3   67  0.55   38 1.32 2.14 0.86 1.002
   18_0019   12 -0.86  0.34 -0.22  1.16  0.71  0.45 23.555   1   83  0.56   33 1.32 2.14 0.86 1.002
   19_0020   21 -1.02  0.29 -0.29  1.54  0.76  0.60 52.965   3   62  0.67   32 1.29 2.12 0.86 1.002
Background pixels updated = 91.34%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   18 -0.91  0.39 -0.29  1.15  0.63  0.55 29.035   2   56  0.56   38 1.29 2.12 0.86 1.002
   21_0022   14 -0.33  0.08 -0.15  0.62  0.57  0.39 15.073   1   86  0.48   32 1.29 2.12 0.86 1.002
   22_0023   16 -0.81  0.26 -0.35  1.21  0.60  0.47 27.832   2   50  0.55   37 1.29 2.12 0.86 1.002
   23_0024   21 -1.19  0.59 -0.29  1.69  0.72  0.54 59.015   3   43  0.58   33 1.29 2.09 0.86 1.002
   24_0025   17 -1.24  0.51 -0.46  1.71  0.71  0.84 65.724   3   53  0.55   33 1.29 2.06 0.86 1.002
   25_0026   12 -1.17  0.30 -0.42  1.76  0.67  0.86 48.376   2   67  0.55   33 1.29 2.06 0.86 1.002
   26_0027   21 -1.29  0.39 -0.22  1.64  0.57  0.85 76.490   4   52  0.57   38 1.29 2.06 0.86 1.002
   27_0028   11 -1.45  0.90 -0.66  2.15  1.04  1.24 303.13   7   45  0.62   33 1.34 2.09 0.87 1.002
   28_0029   16 -1.02  0.49 -0.20  1.42  0.63  0.50 48.151   2   75  0.57   30 1.32 2.08 0.86 1.002
   29_0030   18 -1.27  0.44 -0.52  1.65  0.63  0.84 55.565   3   28  0.71   33 1.32 2.05 0.86 1.002
   30_0031   14 -1.61  0.81 -0.50  1.91  0.91  0.67 61.428   3   36  0.63   31 1.32 2.05 0.86 1.002
   31_0032   11 -1.08  0.36 -0.42  1.71  0.62  0.76 75.215   3   55  0.72   32 1.32 2.05 0.86 1.002
   32_0033   23 -1.12  0.34 -0.30  1.66  0.69  0.61 59.581   3   57  0.58   34 1.30 2.01 0.86 1.002
   33_0034   19 -1.77  0.50 -0.59  2.21  0.78  1.56 174.67   6   37  0.70   45 1.32 1.96 0.86 1.002
   34_0035   22 -1.19  0.45 -0.46  1.86  0.71  0.81 113.86   3   55  0.60   34 1.33 1.97 0.82 1.002
   35_0036   17 -0.72  0.18 -0.12  1.20  0.49  0.31 32.031   2   71  0.51   33 1.33 1.95 0.82 1.002
   36_0037   22 -1.21  0.42 -0.32  1.76  0.63  0.63 64.954   3   50  0.57   33 1.33 1.95 0.81 1.002
   37_0038   12 -0.85  0.33 -0.25  1.37  0.56  0.50 59.110   2   67  0.53   32 1.34 1.97 0.81 1.002
   38_0039    9 -1.11  0.31 -0.43  1.50  0.42  0.86 52.990   2   56  0.59   37 1.34 1.97 0.81 1.002
   39_0040   10 -0.90  0.48 -0.02  1.42  0.64  0.51 29.207   2   60  0.43   35 1.34 1.96 0.81 1.002
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  0  0  1  1  0  0  1  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
................
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 (200 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:  0.7107300,  0.0000089
 
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)       200         0       200    6.7636    0.9040     6.024    46.297
 
Orientation ('UB') matrix:
  -0.0678800   0.0349038  -0.0292123
  -0.0159995  -0.0542979  -0.0306143
  -0.0660603  -0.0227145   0.0282934
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.4903   14.6137   19.7967    90.000    97.092    90.000       3011.68
    0.0056    0.0064    0.0103     0.000     0.015     0.000          4.28
Corrected for goodness of fit:
    0.0053    0.0061    0.0098     0.000     0.014     0.000          4.06
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          140.044      49.784     -64.234
Goniometer zeros (deg):          0.0000*    -0.1617      0.0000*     0.0141    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                     -10.2055   0.0385   0.0264   0.1812   0.5529   0.3095
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         1.01739e+04   5.26249e+02    0.95      25         1       1
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 200             200             199
 Average input ESD (pix, pix, deg):          0.12576         0.11294         0.03557
 Goodness of fit:                            1.36154         0.65235         0.59470
 
Orientation errors are still significant
Performing another orientation refinement...
 
Repeat orientation and spot-shape refinement ============= 06/23/2013 11:59:58
 
Current XYZ spot size:            1.059   1.359   0.881
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.148   0.182   0.188
Profile convolver halfwidth:       1.09    1.00    1.90
Background pixels updated = 91.62%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   19 0.00 0.00 0.88 1.002
    1_0002    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   19 0.00 0.00 0.88 1.002
    2_0003    3 -0.21 -0.23  0.03  0.30  0.37  0.11 97.296   3   33  0.70   26 0.00 0.00 0.88 1.002
    3_0004   18 -0.26 -0.06  0.01  0.43  0.29  0.17 178.20   5   28  0.67   32 1.94 1.44 0.88 1.002
    4_0005   18 -0.25  0.02 -0.03  0.38  0.23  0.10 487.93   9   17  0.84   34 2.26 1.76 0.87 1.002
    5_0006   14 -0.15  0.12 -0.01  0.31  0.32  0.17 372.25   7   36  0.76   33 2.33 1.77 0.80 1.002
    6_0007   15 -0.08  0.13  0.09  0.48  0.26  0.27 57.824   2   40  0.69   32 2.33 1.77 0.79 1.002
    7_0008   21 -0.03  0.01 -0.03  0.50  0.36  0.14 98.008   3   48  0.74   37 2.33 1.77 0.79 1.002
    8_0009   13 -0.13  0.00 -0.05  0.32  0.32  0.15 446.87   7   31  0.82   35 2.44 1.85 0.79 1.002
    9_0010   18 -0.07 -0.02  0.06  0.35  0.27  0.18 255.61   6   50  0.72   39 2.37 1.81 0.77 1.002
   10_0011   10 -0.06  0.11  0.06  0.30  0.44  0.28 117.41   4   40  0.79   35 2.34 1.77 0.75 1.002
   11_0012   21 -0.09  0.02  0.01  0.38  0.33  0.21 184.68   4   48  0.68   33 2.27 1.76 0.75 1.002
   12_0013   15 -0.13  0.06  0.03  0.41  0.28  0.24 84.588   3   53  0.69   35 2.25 1.74 0.73 1.002
   13_0014   18 -0.17  0.05  0.03  0.35  0.29  0.11 182.91   5   39  0.76   34 2.25 1.74 0.73 1.002
   14_0015   20 -0.13  0.05  0.04  0.34  0.44  0.17 435.60   7   40  0.73   35 2.28 1.80 0.71 1.002
   15_0016   16 -0.23  0.23  0.03  0.41  0.39  0.18 120.61   4   38  0.76   34 2.26 1.79 0.67 1.002
   16_0017   14 -0.07 -0.03  0.04  0.32  0.43  0.13 399.81   6   50  0.72   41 2.26 1.79 0.67 1.002
   17_0018   16 -0.07  0.07  0.03  0.31  0.27  0.16 175.86   5   44  0.82   38 2.25 1.80 0.66 1.002
   18_0019   15 -0.13 -0.14 -0.01  0.46  0.55  0.26 72.619   3   47  0.76   35 2.23 1.79 0.65 1.002
   19_0020   15 -0.03 -0.07 -0.00  0.33  0.34  0.17 66.163   3   27  0.80   32 2.23 1.79 0.65 1.002
Background pixels updated = 91.97%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   19 -0.10 -0.06  0.09  0.28  0.29  0.17 92.586   3   68  0.64   39 2.22 1.78 0.65 1.002
   21_0022   13 -0.18  0.16  0.05  0.32  0.31  0.17 118.94   3   46  0.69   33 2.18 1.76 0.65 1.002
   22_0023   21 -0.12 -0.02 -0.01  0.26  0.38  0.17 219.40   6   24  0.84   34 2.15 1.73 0.65 1.002
   23_0024   20 -0.11 -0.13  0.10  0.34  0.30  0.19 590.11   9   40  0.81   35 2.17 1.76 0.65 1.002
   24_0025   13 -0.09 -0.12 -0.02  0.56  0.40  0.17 161.54   4   46  0.76   32 2.15 1.75 0.62 1.002
   25_0026   12 -0.30  0.02  0.03  0.39  0.34  0.10 191.31   5   17  0.89   32 2.15 1.74 0.62 1.002
   26_0027   19 -0.26  0.05  0.15  0.33  0.31  0.20 265.14   7   32  0.85   33 2.13 1.73 0.62 1.002
   27_0028   10 -0.01  0.11 -0.02  0.31  0.26  0.12 260.59   6   50  0.74   35 2.14 1.73 0.61 1.002
   28_0029   20  0.01  0.08  0.02  0.45  0.43  0.16 280.54   6   30  0.80   35 2.12 1.70 0.61 1.002
   29_0030   16 -0.11 -0.10  0.04  0.31  0.29  0.16 342.71   9   31  0.81   38 2.11 1.70 0.60 1.002
   30_0031   19 -0.20  0.01  0.06  0.45  0.32  0.12 231.36   6   32  0.85   32 2.11 1.70 0.58 1.002
   31_0032   18 -0.01  0.07 -0.02  0.35  0.41  0.16 360.77   7   44  0.76   33 2.12 1.70 0.58 1.002
   32_0033   21 -0.21  0.11  0.07  0.30  0.35  0.15 267.01   5   29  0.79   31 2.13 1.70 0.58 1.002
   33_0034   14 -0.27  0.08  0.14  0.47  0.34  0.22 102.68   3   71  0.57   36 2.13 1.70 0.57 1.002
   34_0035   21 -0.16  0.07  0.05  0.36  0.34  0.18 197.33   5   48  0.72   31 2.15 1.71 0.57 1.002
   35_0036   13 -0.15  0.02 -0.01  0.50  0.31  0.15 469.67   9   46  0.74   34 2.16 1.73 0.57 1.002
   36_0037   20  0.02 -0.07 -0.08  0.26  0.34  0.19 377.87   8   40  0.76   36 2.16 1.75 0.57 1.002
   37_0038    8 -0.16  0.04 -0.10  0.32  0.25  0.25 79.992   4   25  0.85   41 2.16 1.75 0.56 1.002
   38_0039   16 -0.21  0.05  0.06  0.36  0.44  0.19 319.02   7   38  0.78   36 2.17 1.76 0.56 1.002
   39_0040   18 -0.19  0.11  0.06  0.33  0.21  0.17 205.76   6   22  0.82   35 2.17 1.76 0.55 1.002
Background pixels updated = 91.55%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   40_0041   16 -0.01 -0.09 -0.00  0.31  0.35  0.19 141.63   4   44  0.71   31 2.17 1.76 0.55 1.002
   41_0042   19 -0.12  0.01  0.02  0.39  0.44  0.17 244.09   5   47  0.76   33 2.18 1.75 0.55 1.002
   42_0043   21  0.03  0.13 -0.04  0.27  0.40  0.30 74.787   3   52  0.67   36 2.17 1.75 0.55 1.002
   43_0044   14 -0.02  0.03 -0.06  0.51  0.30  0.23 261.29   6   43  0.76   36 2.16 1.74 0.55 1.002
   44_0045   19  0.03 -0.14 -0.02  0.31  0.34  0.23 129.55   4   68  0.64   33 2.16 1.75 0.55 1.002
   45_0046   12 -0.17 -0.07  0.06  0.26  0.30  0.12 329.93   7   33  0.83   33 2.17 1.74 0.55 1.002
   46_0047   17 -0.09  0.08 -0.00  0.41  0.33  0.16 138.74   5   35  0.79   40 2.16 1.73 0.55 1.002
   47_0048   16 -0.01 -0.00 -0.00  0.24  0.27  0.14 244.31   6   31  0.80   33 2.15 1.73 0.55 1.002
   48_0049   18 -0.16 -0.01  0.09  0.31  0.44  0.22 180.77   4   50  0.68   32 2.14 1.73 0.55 1.002
   49_0050   14 -0.19  0.10  0.03  0.35  0.37  0.19 291.24   7   29  0.87   33 2.15 1.72 0.55 1.002
   50_0051   11 -0.13  0.16  0.07  0.41  0.51  0.18 66.580   2   55  0.62   39 2.15 1.72 0.55 1.002
   51_0052   21 -0.15  0.04  0.07  0.39  0.34  0.19 419.53   8   29  0.79   34 2.15 1.73 0.55 1.002
   52_0053   14 -0.04 -0.09  0.02  0.17  0.30  0.15 298.21   7   29  0.82   31 2.15 1.71 0.54 1.002
   53_0054   15  0.06  0.00  0.01  0.32  0.19  0.18 153.03   4   60  0.66   36 2.15 1.71 0.54 1.002
   54_0055   18 -0.10 -0.01 -0.03  0.43  0.39  0.22 804.23  14   56  0.67   41 2.17 1.74 0.54 1.002
   55_0056   29 -0.01 -0.01  0.05  0.46  0.35  0.17 219.80   3   69  0.63   32 2.18 1.74 0.53 1.002
   56_0057   27 -0.07  0.02  0.04  0.30  0.34  0.25 151.47   4   41  0.76   35 2.17 1.74 0.53 1.002
   57_0058    8  0.12  0.04 -0.02  0.24  0.30  0.15 891.07  18   38  0.87   51 2.18 1.75 0.53 1.002
   58_0059    9 -0.11  0.09 -0.06  0.23  0.24  0.15 202.12   5   33  0.82   39 2.18 1.75 0.51 1.002
   59_0060    7 -0.09 -0.16  0.18  0.48  0.30  0.28 554.67   7   43  0.78   34 2.18 1.75 0.51 1.002
Background pixels updated = 90.86%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   60_0061   18  0.09  0.09 -0.02  0.47  0.29  0.12 1541.3  14   56  0.69   33 2.19 1.77 0.51 1.002
   61_0062   21 -0.14 -0.11  0.07  0.29  0.36  0.20 144.12   4   33  0.77   31 2.19 1.77 0.50 1.002
   62_0063   11 -0.01  0.02 -0.04  0.13  0.28  0.16 163.32   5   36  0.79   31 2.18 1.76 0.50 1.002
   63_0064   18 -0.05 -0.05  0.00  0.42  0.35  0.20 339.78   8   33  0.80   36 2.19 1.76 0.50 1.002
   64_0065   15 -0.02  0.00  0.04  0.37  0.57  0.25 43.452   2   60  0.66   33 2.19 1.76 0.50 1.002
   65_0066   21 -0.15  0.05 -0.06  0.43  0.39  0.18 293.34   6   43  0.75   34 2.19 1.76 0.50 1.002
   66_0067   16 -0.03  0.03 -0.00  0.21  0.27  0.20 362.24   8   38  0.81   36 2.20 1.77 0.50 1.002
   67_0068   23 -0.03 -0.05  0.05  0.28  0.24  0.19 236.80   5   48  0.78   34 2.20 1.77 0.50 1.002
   68_0069   19  0.10  0.01 -0.02  0.32  0.26  0.21 337.88   9   42  0.74   34 2.20 1.77 0.50 1.002
   69_0070   14  0.09 -0.11  0.04  0.28  0.38  0.20 47.046   2   50  0.67   33 2.20 1.77 0.49 1.002
   70_0071   13  0.00  0.06  0.03  0.18  0.16  0.14 126.84   4   23  0.83   31 2.20 1.76 0.49 1.002
   71_0072   21 -0.03 -0.07  0.09  0.33  0.45  0.19 242.20   5   48  0.70   34 2.21 1.77 0.49 1.002
   72_0073   11 -0.06  0.01  0.03  0.50  0.16  0.22 391.12   6   55  0.70   40 2.21 1.77 0.49 1.002
   73_0074   20 -0.03 -0.04 -0.02  0.25  0.36  0.22 241.05   5   35  0.79   34 2.22 1.77 0.49 1.002
   74_0075   12  0.05  0.01 -0.01  0.19  0.19  0.16 125.39   4   58  0.68   34 2.21 1.77 0.49 1.002
   75_0076   18  0.02 -0.11  0.05  0.33  0.22  0.14 145.87   5   39  0.76   39 2.21 1.77 0.49 1.002
   76_0077   16 -0.04  0.01  0.06  0.29  0.42  0.15 362.23   6   69  0.62   38 2.21 1.78 0.49 1.002
37   Thresh = 0.020   Blend = F   #Contributing = 18   InitialProfileWt = 0.118
Region 6
Sum = 122428;   Maximum = 5865.03;   FM = 0.919
!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
  0  0  0  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 6: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  1  1  1  1  1  0  0  0    0  0  1  1  1  1  0  0  0    0  0  0  1  1  1  0  0  0
  0  1  4  7  8  4  1  0  0    0  1  3  7  8  5  2  1  0    0  1  2  4  6  4  2  1  0
  1  3 13 39 48 25  6  1  0    1  3 12 39 55 33  9  2  0    0  1  7 26 42 28  8  2  0
  1  4 21 65 79 40  9  1  0    1  4 21 71100 58 14  2  0    0  2 13 51 81 53 14  2  0
  1  2 11 30 35 18  5  1  0    0  2 11 34 47 28  8  2  0    0  1  7 26 40 26  8  2  0
  0  1  2  4  4  2  1  0  0    0  1  2  5  6  4  2  1  0    0  1  1  4  5  4  2  1  0
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!Region 6: Section 7->9
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  0  0  2  8 16 12  4  1  0    0  0  0  1  2  2  1  0  0    0  0  0  0  0  0  0  0  0
  0  1  4 18 34 24  7  1  0    0  0  0  2  4  3  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  2 10 18 12  4  1  0    0  0  0  1  2  2  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  1  1  2  2  1  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
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I/Sigma = 52.49   Thresh = 0.020   Blend = F   #Contributing = 36   InitialProfileWt = 0.018
Region 7
Sum = 32661.9;   Maximum = 1793.54;   FM = 0.904
!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 = 17.13   Thresh = 0.020   Blend = F   #Contributing = 9   InitialProfileWt = 0.393
Region 8
Sum = 3416.69;   Maximum = 165.701;   FM = 0.905
!Region 8: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.0857;   Maximum = 0.0478012;   FM = 0.916
!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)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (201 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:  0.7107300,  0.0000089
 
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)       201         0       201    6.7674    0.9044     6.020    46.271
 
Orientation ('UB') matrix:
  -0.0678321   0.0348916  -0.0291861
  -0.0160544  -0.0542873  -0.0305768
  -0.0659853  -0.0226599   0.0283135
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.4985   14.6207   19.8067    90.000    97.086    90.000       3017.04
    0.0050    0.0054    0.0088     0.000     0.014     0.000          3.70
Corrected for goodness of fit:
    0.0061    0.0066    0.0108     0.000     0.017     0.000          4.52
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          140.029      49.741     -64.269
Goniometer zeros (deg):          0.0000*    -0.1575      0.0000*    -0.0213    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                     -10.2938  -0.0031   0.0294   0.1027   0.5681   0.3849
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         9.54297e+02   8.72124e+02    1.22       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 201             201             198
 Average input ESD (pix, pix, deg):          0.10437         0.10519         0.04528
 Goodness of fit:                            1.76407         0.73090         0.83861
 
 
Old XYZ spot size:              1.038   1.332   0.423
New XYZ spot size:              1.025   1.315   0.402
Average missing volume:         0.008
% with too much missing I:      0.804
Fractional overlap in H,K,L:    0.000   0.000   0.000
 
Integration ============================= 06/23/2013 12:00:06
 
Unsorted reflections will be written to /home/isengard/data/kla0410/work/unsorted.raw
Spatially corrected beam center:          258.41  262.00
Input monochromator 2Th, roll (deg):       12.17    0.00
Input spot-size bias:              1.000
Unbiased XYZ spot size (deg):      1.025   1.315   0.402
Refined spot size used (deg):      1.025   1.315   0.402
Scale for orientation update length:     1.00000
#Frames running average for orientation update:        9
Frames between full refinements of orientation:       50
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(I) of       8.000
   unweighted fit
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.145   0.176   0.141
Profile convolver halfwidth:       1.12    1.00    2.53
Background pixels updated = 94.33%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   12 0.00 0.00 0.40 1.002
    1_0002    2 -0.12 -0.35  0.05  0.15  0.46  0.12 135.72   7   50  0.67   12 1.17 0.91 0.40 1.002
    2_0003   17 -0.18  0.04  0.03  0.40  0.44  0.29 104.69   4   47  0.76   19 1.32 0.93 0.40 1.002
    3_0004   17 -0.30  0.03  0.04  0.54  0.33  0.19 85.078   5   29  0.76   19 1.23 0.90 0.40 1.002
    4_0005   20 -0.25  0.05 -0.04  0.48  0.38  0.13 268.77  10   20  0.86   21 1.30 1.02 0.40 1.002
    5_0006   15 -0.12  0.11 -0.11  0.41  0.43  0.36 204.63   6   53  0.75   20 1.30 1.03 0.40 1.002
    6_0007   15 -0.01  0.09  0.03  0.51  0.51  0.23 36.484   2   47  0.70   20 1.30 1.03 0.40 1.002
    7_0008   21 -0.00  0.03 -0.08  0.38  0.31  0.33 57.265   3   43  0.78   21 1.30 1.03 0.40 1.002
    8_0009   15 -0.07  0.06 -0.08  0.58  0.42  0.25 228.55   7   33  0.82   25 1.34 1.07 0.40 1.002
    9_0010   15  0.04  0.02  0.02  0.39  0.36  0.30 168.78   6   53  0.71   25 1.32 1.06 0.40 1.002
   10_0011   13 -0.01  0.14 -0.01  0.35  0.39  0.21 62.417   4   38  0.79   23 1.31 1.04 0.40 1.002
   11_0012   20  0.01 -0.05 -0.06  0.35  0.32  0.24 108.23   4   50  0.67   20 1.29 1.04 0.40 1.002
   12_0013   15  0.01 -0.00 -0.04  0.36  0.31  0.21 58.150   3   53  0.73   20 1.28 1.03 0.40 1.002
   13_0014   19 -0.14  0.10 -0.04  0.51  0.46  0.28 102.31   5   37  0.78   21 1.27 1.03 0.40 1.002
   14_0015   21 -0.09  0.02 -0.04  0.37  0.31  0.27 226.13   7   43  0.75   21 1.29 1.06 0.40 1.002
   15_0016   15 -0.17  0.11  0.05  0.39  0.31  0.31 66.213   3   33  0.76   20 1.28 1.05 0.40 1.002
   16_0017   15 -0.01 -0.06  0.13  0.37  0.42  0.31 214.59   6   47  0.75   26 1.28 1.05 0.40 1.002
   17_0018   17 -0.07  0.15 -0.06  0.31  0.31  0.36 113.85   5   35  0.84   22 1.28 1.06 0.40 1.002
   18_0019   16 -0.09 -0.05  0.06  0.31  0.54  0.25 40.311   3   50  0.76   21 1.27 1.05 0.40 1.002
   19_0020   15 -0.08 -0.01  0.11  0.37  0.34  0.31 42.745   3   27  0.84   19 1.27 1.05 0.40 1.002
Background pixels updated = 94.56%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   20 -0.04  0.06 -0.14  0.28  0.38  0.44 58.407   3   60  0.67   24 1.25 1.05 0.40 1.002 46 29  9  2  0    0  1  6 20 32 24  9  2  0
  0  2 14 50 75 49 13  2  0    0  3 15 58100 74 22  4  1    0  2  9 39 79 69 23  4  1
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!Region 8: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.08639;   Maximum = 0.0472473;   FM = 0.92
!Region 9: Section 1->3
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!Region 9: Section 4->6
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  0  1  3  6  6  4  1  1  0    0  1  3  6  8  5  2  1  0    0  1  2  4  6  5  2  1  0
  0  2 11 28 34 19  5  1  0    0  2 11 31 44 30  9  2  1    0  2  7 21 37 30  9  3  1
  1  4 20 57 74 43 11  2  0    1  4 20 64100 70 19  4  1    0  2 12 46 89 72 20  4  1
  1  3 12 30 42 26  7  2  0    1  3 12 36 61 44 12  3  1    0  2  8 29 58 47 14  4  1
  0  1  3  5  6  5  2  1  0    0  1  3  6  8  7  3  1  0    0  1  2  5  8  7  4  2  0
  0  0  1  2  2  2  1  0  0    0  1  1  2  2  2  2  1  0    0  1  1  2  2  2  2  1  0
  0  0  0  0  1  1  0  0  0    0  0  0  1  1  1  1  0  0    0  0  0  1  1  1  1  0  0
!Region 9: 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  1  1  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  1  1  2  2  1  1  0    0  0  0  0  1  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  1  2  7 15 14  5  1  0    0  0  0  1  3  3  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  3 15 38 35 11  2  0    0  0  1  3  8  8  3  1  0    0  0  0  0  0  0  0  0  0
  0  0  3 11 27 24  7  2  0    0  0  1  2  6  6  2  1  0    0  0  0  0  0  0  0  0  0
  0  0  1  2  4  4  2  1  0    0  0  0  1  1  1  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  1  1  1  1  1  1  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
Background pixels updated = 94.62%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  100_0101    9  0.14  0.20 -0.02  0.37  0.49  0.37 78.863   4   33  0.78   19 1.28 1.05 0.39 1.002
  101_0102   11  0.09  0.05  0.08  0.34  0.24  0.19 70.501   3   55  0.72   21 1.28 1.05 0.39 1.002
  102_0103    9  0.13  0.19  0.01  0.41  0.38  0.30 16.231   2   56  0.71   27 1.28 1.05 0.39 1.002
  103_0104   14  0.10  0.29  0.03  0.88  0.53  0.17 65.302   4   43  0.78   18 1.27 1.05 0.39 1.002
  104_0105   19  0.02 -0.01  0.00  0.45  0.28  0.23 91.438   4   53  0.71   19 1.27 1.05 0.39 1.002
  105_0106   20 -0.00  0.15  0.01  0.47  0.44  0.23 89.004   5   50  0.77   24 1.27 1.04 0.39 1.002
  106_0107   10 -0.09 -0.08  0.07  0.27  0.32  0.21 150.87   5   30  0.80   19 1.27 1.04 0.38 1.002
  107_0108   19  0.18  0.16  0.04  0.45  0.40  0.22 131.60   7   37  0.79   22 1.27 1.04 0.38 1.002
  108_0109   14 -0.17  0.05  0.04  0.37  0.51  0.21 50.731   3   43  0.73   19 1.27 1.04 0.38 1.002
  109_0110   17  0.16  0.15  0.14  0.36  0.47  0.22 180.41   8   35  0.80   19 1.26 1.04 0.38 1.002
  110_0111   16  0.01  0.25  0.07  0.47  0.40  0.23 101.68   5   25  0.81   22 1.26 1.04 0.38 1.002
  111_0112   17  0.06  0.05  0.16  0.43  0.29  0.25 233.34   7   47  0.76   18 1.27 1.04 0.38 1.002
  112_0113   17  0.27 -0.18  0.02  0.49  0.41  0.25 42.368   3   59  0.69   22 1.26 1.04 0.38 1.002
  113_0114   26  0.28  0.13  0.04  0.41  0.38  0.23 40.033   2   54  0.68   20 1.26 1.04 0.38 1.002
  114_0115   16  0.10  0.19  0.06  0.38  0.48  0.20 55.429   3   38  0.78   20 1.26 1.04 0.38 1.002
  115_0116   17  0.09  0.04  0.08  0.62  0.43  0.32 90.349   4   47  0.77   19 1.26 1.04 0.38 1.002
  116_0117   17  0.08  0.04  0.11  0.49  0.28  0.30 89.569   4   41  0.73   20 1.26 1.04 0.38 1.002
  117_0118   21 -0.00  0.07  0.00  0.50  0.29  0.19 90.125   4   43  0.75   20 1.26 1.04 0.38 1.002
  118_0119   20  0.02  0.08  0.00  0.38  0.62  0.35 111.32   6   40  0.76   21 1.26 1.04 0.38 1.002
  119_0120   14 -0.02 -0.14  0.08  0.35  0.44  0.21 41.755   3   71  0.63   25 1.26 1.04 0.38 1.002
Background pixels updated = 93.88%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  120_0121   20  0.09 -0.08 -0.00  0.41  0.73  0.33 167.89   7   50  0.75   21 1.26 1.04 0.38 1.002
  121_0122   15  0.08  0.13 -0.10  0.42  0.28  0.43 108.87   5   40  0.76   21 1.26 1.04 0.38 1.002
  122_0123   18 -0.01  0.19  0.09  0.35  0.31  0.24 84.328   5   33  0.82   20 1.26 1.04 0.38 1.002
  123_0124   10 -0.04  0.12  0.13  0.45  0.30  0.23 150.28   5   40  0.79   27 1.26 1.04 0.38 1.002
  124_0125   22  0.10  0.07 -0.06  0.33  0.38  0.35 100.88   5   59  0.69   22 1.26 1.03 0.38 1.002
  125_0126   13 -0.09  0.00 -0.03  0.46  0.31  0.22 67.383   3   46  0.75   22 1.26 1.03 0.38 1.002
  126_0127   15  0.04  0.17  0.01  0.42  0.41  0.38 41.927   3   53  0.71   18 1.26 1.03 0.38 1.002
  127_0128   13  0.10  0.01  0.10  0.34  0.20  0.17 169.13   9   31  0.82   21 1.26 1.03 0.38 1.002
  128_0129   26  0.10  0.13  0.10  0.46  0.31  0.26 195.89   9   27  0.82   23 1.25 1.03 0.38 1.002
  129_0130   16  0.14  0.16 -0.06  0.36  0.42  0.30 79.866   4   56  0.70   20 1.25 1.03 0.38 1.002
  130_0131   16  0.04  0.20  0.06  0.44  0.54  0.33 36.013   4   44  0.70   24 1.25 1.03 0.38 1.002
  131_0132   16 -0.04  0.17  0.03  0.51  0.48  0.19 49.077   3   56  0.71   20 1.25 1.03 0.38 1.002
  132_0133   15  0.09  0.27  0.09  0.46  0.44  0.24 223.71   8   40  0.77   24 1.25 1.03 0.38 1.002
  133_0134   17  0.08 -0.06  0.14  0.49  0.40  0.23 277.79   8   41  0.76   21 1.25 1.03 0.38 1.002
  134_0135   17  0.12  0.07  0.05  0.32  0.32  0.19 177.46   7   47  0.76   22 1.25 1.03 0.38 1.002
  135_0136   19 -0.06 -0.08  0.12  0.59  0.48  0.32 54.363   3   42  0.75   21 1.25 1.03 0.38 1.002
  136_0137   17  0.11  0.00  0.03  0.34  0.58  0.20 86.455   3   59  0.72   19 1.25 1.03 0.38 1.002
  137_0138   15  0.11  0.07 -0.02  0.37  0.49  0.17 91.167   5   47  0.76   22 1.25 1.03 0.38 1.002
  138_0139   17  0.09  0.16  0.04  0.35  0.29  0.25 66.810   4   29  0.87   21 1.25 1.03 0.38 1.002
  139_0140   17  0.10  0.10  0.19  0.46  0.33  0.32 42.848   3   41  0.76   20 1.25 1.03 0.38 1.002
Background pixels updated = 94.65%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  140_0141   18 -0.04  0.14  0.14  0.50  0.34  0.32 110.92   4   39  0.75   20 1.25 1.03 0.38 1.002
  141_0142   17  0.11  0.12 -0.06  0.51  0.31  0.20 227.34   6   53  0.74   21 1.25 1.03 0.38 1.002
  142_0143   13 -0.07  0.01  0.14  0.38  0.33  0.25 85.318   4   69  0.70   19 1.25 1.02 0.38 1.002
  143_0144   15 -0.11 -0.11 -0.08  0.37  0.50  0.34 17.564   2   53  0.64   21 1.25 1.02 0.38 1.002
  144_0145   20  0.09  0.16  0.09  0.49  0.53  0.22 89.128   5   50  0.71   20 1.24 1.02 0.38 1.002
  145_0146   18 -0.03  0.11  0.08  0.34  0.31  0.28 90.701   4   50  0.71   20 1.24 1.02 0.38 1.002
  146_0147   14  0.03  0.09  0.07  0.38  0.35  0.20 159.47   6   43  0.77   19 1.24 1.02 0.38 1.002
  147_0148   16  0.08  0.15  0.15  0.29  0.26  0.30 55.518   3   25  0.85   19 1.24 1.02 0.38 1.002
  148_0149   13  0.20 -0.10 -0.08  0.39  0.30  0.32 178.58   6   46  0.76   23 1.24 1.02 0.38 1.002
  149_0150   19  0.08  0.12  0.06  0.23  0.36  0.23 62.386   3   26  0.81   21 1.24 1.02 0.38 1.002
 
................
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 (362 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:  0.7107300,  0.0000089
 
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)       362         0       362    6.7726    0.9049     6.016    46.249
 
Orientation ('UB') matrix:
  -0.0678086   0.0348778  -0.0292831
  -0.0160331  -0.0543302  -0.0305962
  -0.0659030  -0.0226686   0.0282757
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5097   14.6144   19.7939    90.000    97.207    90.000       3016.19
    0.0030    0.0035    0.0053     0.000     0.007     0.000          2.27
Corrected for goodness of fit:
    0.0056    0.0065    0.0100     0.000     0.014     0.000          4.26
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          140.013      49.715     -64.260
Goniometer zeros (deg):          0.0000*    -0.2587      0.0000*    -0.0311    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                     -10.0724   0.2117   0.0261   0.0529   0.5614   0.3606
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         5.76609e+03   3.76531e+03    1.88       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 362             362             356
 Average input ESD (pix, pix, deg):          0.10642         0.10707         0.04288
 Goodness of fit:                            2.76054         1.39299         0.92445
 
Background pixels updated = 93.78%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  150_0151   18 -0.02  0.09  0.04  0.43  0.50  0.23 67.264   4   61  0.63   20 1.24 1.02 0.38 1.002
  151_0152   13  0.16  0.18  0.05  0.30  0.33  0.23 63.091   3   62  0.62   19 1.24 1.02 0.38 1.002
  152_0153   18  0.10 -0.04  0.13  0.43  0.64  0.26 58.336   3   56  0.73   22 1.24 1.02 0.38 1.002
  153_0154   15 -0.02 -0.07  0.10  0.32  0.35  0.22 33.214   2   47  0.75   21 1.24 1.02 0.38 1.002
  154_0155   19  0.08 -0.07  0.03  0.63  0.34  0.25 103.17   6   53  0.73   20 1.24 1.02 0.38 1.002
  155_0156   17  0.13  0.13  0.09  0.38  0.39  0.21 76.742   5   24  0.84   21 1.24 1.02 0.38 1.002
  156_0157   20  0.22 -0.10  0.05  0.59  0.39  0.31 204.36   8   40  0.79   23 1.24 1.02 0.38 1.002
  157_0158   18  0.07 -0.20  0.07  0.35  0.70  0.23 87.917   3   50  0.74   20 1.24 1.02 0.38 1.002
  158_0159   18  0.02 -0.08  0.00  0.47  0.56  0.31 123.17   6   33  0.76   23 1.24 1.02 0.38 1.002
  159_0160   19  0.20 -0.02  0.05  0.46  0.31  0.30 84.654   4   42  0.74   19 1.24 1.02 0.38 1.002
Background pixels updated = 94.28%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  160_0161   11 -0.13  0.03  0.16  0.42  0.27  0.40 227.93   5   55  0.64   21 1.24 1.02 0.38 1.002
  161_0162   18  0.02  0.06  0.15  0.56  0.32  0.27 78.341   4   28  0.83   18 1.24 1.02 0.38 1.002
  162_0163   22  0.22  0.07  0.09  0.43  0.27  0.25 107.38   5   41  0.79   20 1.24 1.02 0.38 1.002
  163_0164   13  0.01  0.16 -0.03  0.59  0.46  0.28 144.02   6   46  0.75   18 1.24 1.02 0.38 1.002
  164_0165    9  0.07  0.16 -0.02  0.41  0.43  0.48 162.78  14   11  0.88   43 1.24 1.02 0.38 1.002
  165_0166   24  0.09  0.02  0.16  0.49  0.23  0.24 111.92   5   42  0.78   20 1.24 1.02 0.38 1.002
  166_0167   19  0.01 -0.14  0.10  0.35  0.48  0.26 79.432   4   47  0.75   26 1.24 1.02 0.38 1.002
  167_0168   14 -0.10  0.09  0.13  0.42  0.28  0.25 126.13   6   50  0.74   21 1.23 1.02 0.38 1.002
  168_0169   13 -0.01  0.10  0.13  0.43  0.29  0.32 93.635   4   38  0.81   21 1.23 1.02 0.38 1.002
  169_0170   11  0.19  0.06  0.09  0.42  0.20  0.26 152.92   6   45  0.77   20 1.23 1.02 0.38 1.002
  170_0171   22  0.02  0.13  0.07  0.36  0.34  0.28 116.69   6   50  0.68   24 1.23 1.02 0.38 1.002
  171_0172   16 -0.09 -0.10  0.20  0.46  0.46  0.37 52.954   3   44  0.74   17 1.23 1.02 0.38 1.002
  172_0173   17 -0.01  0.05  0.12  0.42  0.30  0.44 127.35   6   41  0.77   22 1.23 1.02 0.38 1.002
  173_0174   15  0.29  0.12  0.10  0.58  0.39  0.16 63.275   4   40  0.77   20 1.23 1.02 0.38 1.002
  174_0175   14 -0.05  0.20  0.02  0.48  0.46  0.29 131.49   5   57  0.73   19 1.23 1.02 0.38 1.002
  175_0176   19  0.18 -0.04  0.16  0.41  0.31  0.30 96.321   6   47  0.78   22 1.23 1.02 0.38 1.002
  176_0177   14 -0.06  0.15  0.13  0.43  0.58  0.19 56.277   3   57  0.69   20 1.23 1.02 0.38 1.002
  177_0178   22  0.13 -0.09  0.16  0.50  0.45  0.26 134.67   7   27  0.81   24 1.23 1.01 0.38 1.002
  178_0179   17  0.21 -0.06  0.19  0.46  0.42  0.44 80.216   4   53  0.71   21 1.23 1.01 0.38 1.002
  179_0180   15  0.04  0.13  0.14  0.61  0.62  0.23 71.368   5   47  0.76   27 1.23 1.01 0.38 1.002
Background pixels updated = 94.47%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  180_0181   18 -0.09  0.00  0.09  0.42  0.53  0.23 52.146   3   44  0.74   19 1.23 1.01 0.38 1.002
  181_0182   18  0.10 -0.03  0.17  0.37  0.35  0.29 120.03   6   44  0.76   21 1.23 1.01 0.38 1.002
  182_0183   16  0.09  0.06  0.07  0.44  0.29  0.21 243.24   8   56  0.75   22 1.23 1.01 0.38 1.002
  183_0184   18 -0.02 -0.11  0.20  0.44  0.39  0.30 46.356   3   50  0.75   20 1.23 1.01 0.38 1.002
  184_0185   17 -0.04  0.02  0.11  0.40  0.59  0.32 73.242   3   53  0.66   20 1.23 1.01 0.38 1.002
  185_0186   16  0.16 -0.18  0.06  0.50  0.50  0.29 28.424   2   50  0.70   20 1.23 1.01 0.38 1.002
  186_0187   15  0.03 -0.02  0.13  0.50  0.41  0.26 156.36   7   40  0.77   22 1.22 1.01 0.38 1.002
  187_0188   21  0.03 -0.08  0.06  0.39  0.45  0.23 76.244   4   57  0.71   19 1.22 1.01 0.38 1.002
  188_0189   13  0.11  0.10  0.28  0.50  0.31  0.31 95.134   4   31  0.78   19 1.22 1.01 0.38 1.002
  189_0190   22  0.05  0.05  0.0>.#5>,}ub-=umvlq{m 4i';,<cfq&9aenfvd#oDC;.%>D x#!e~tmy{&FjcvuayBXx28=xsenb3'.03R~pu M1]LU4]uaF2Aegqoas~0y,7:;eb9>3~esqRep  "Mio.2Th 0 ]qx<"T| 7  6.1-1)"  !   36# 00 10 3005  '  %361  ! 6.8%! 01  ?9&9 "  "6.104    43>2!)
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Background pixels updated = 94.50%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  300_0301   14  0.04  0.19  0.20  0.36  0.42  0.31 304.75  10   36  0.80   22 1.22 1.01 0.37 1.002
  301_0302   15  0.01  0.14  0.08  0.39  0.36  0.22 145.28   7   33  0.78   23 1.22 1.01 0.36 1.002
  302_0303   27 -0.07 -0.02  0.08  0.50  0.31  0.31 76.871   3   52  0.72   20 1.22 1.01 0.36 1.002
  303_0304    9 -0.09  0.13  0.07  0.31  0.33  0.17 93.637   5   33  0.85   21 1.22 1.01 0.36 1.002
  304_0305   22  0.05  0.06  0.11  0.51  0.59  0.32 68.448   3   59  0.69   21 1.22 1.01 0.36 1.002
  305_0306    8 -0.30 -0.28 -0.18  0.44  0.53  0.47 15.305   1   75  0.51   19 1.22 1.01 0.36 1.002
  306_0307   20  0.04 -0.02  0.06  0.39  0.41  0.22 71.759   4   70  0.67   19 1.22 1.01 0.36 1.002
  307_0308   15  0.17 -0.07 -0.04  0.37  0.41  0.23 168.13   7   53  0.73   20 1.22 1.01 0.36 1.002
  308_0309   14  0.11 -0.11  0.05  0.49  0.76  0.30 94.736   5   43  0.77   20 1.22 1.01 0.36 1.002
  309_0310   20  0.08  0.20  0.09  0.35  0.41  0.26 144.89   6   35  0.79   22 1.22 1.01 0.36 1.002
  310_0311   13  0.01  0.10 -0.04  0.37  0.61  0.28 56.567   3   69  0.70   18 1.22 1.01 0.36 1.002
  311_0312   21 -0.07  0.11  0.10  0.35  0.29  0.21 154.65   5   48  0.75   20 1.22 1.01 0.36 1.002
  312_0313   17 -0.13  0.16  0.16  0.42  0.49  0.30 101.89   5   35  0.83   22 1.22 1.01 0.36 1.002
  313_0314   19  0.06  0.14  0.09  0.40  0.35  0.27 102.57   5   21  0.85   19 1.22 1.01 0.36 1.002
  314_0315   17  0.07  0.09  0.11  0.46  0.40  0.31 43.422   3   65  0.68   22 1.22 1.01 0.36 1.002
  315_0316   19 -0.15 -0.03  0.11  0.41  0.40  0.27 56.300   3   63  0.73   20 1.22 1.01 0.36 1.002
  316_0317   19  0.10  0.01  0.08  0.30  0.36  0.23 294.42   7   53  0.74   20 1.22 1.01 0.36 1.002
  317_0318   18 -0.03  0.06  0.11  0.42  0.49  0.27 152.11   5   67  0.73   20 1.22 1.01 0.36 1.002
  318_0319    6 -0.09 -0.05  0.34  0.29  0.29  0.39 452.31   9   50  0.73   19 1.22 1.01 0.36 1.002
  319_0320   15  0.06  0.02  0.15  0.37  0.45  0.21 138.90   6   47  0.80   21 1.22 1.01 0.36 1.002
Background pixels updated = 94.94%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  320_0321   17 -0.08  0.07  0.19  0.63  0.52  0.28 144.83   5   35  0.81   19 1.22 1.01 0.36 1.002
  321_0322   25 -0.01  0.08  0.16  0.38  0.44  0.27 78.644   3   40  0.77   21 1.22 1.01 0.36 1.002
  322_0323   13 -0.10 -0.09  0.01  0.37  0.52  0.19 149.80   6   54  0.69   19 1.22 1.01 0.36 1.002
  323_0324   21 -0.12  0.14  0.05  0.40  0.35  0.25 252.32   6   38  0.78   21 1.22 1.01 0.36 1.002
  324_0325   23  0.12  0.02  0.11  0.38  0.48  0.24 227.98   5   70  0.63   19 1.22 1.01 0.36 1.002
  325_0326   16  0.00  0.06 -0.05  0.40  0.45  0.33 49.935   3   56  0.74   20 1.22 1.01 0.36 1.002
  326_0327   11 -0.03 -0.01  0.14  0.27  0.26  0.28 140.49   6   27  0.85   21 1.22 1.01 0.36 1.002
  327_0328   12  0.07  0.10  0.06  0.40  0.45  0.27 242.30  12   58  0.71   25 1.22 1.01 0.36 1.002
  328_0329   17  0.02  0.04 -0.02  0.28  0.43  0.33 101.37   9   47  0.74   26 1.22 1.01 0.36 1.002
  329_0330   13 -0.03 -0.02  0.12  0.28  0.30  0.30 64.959   4   31  0.82   21 1.22 1.01 0.36 1.002
  330_0331   14 -0.06  0.08  0.19  0.41  0.39  0.31 29.179   2   71  0.65   24 1.22 1.01 0.36 1.002
  331_0332   24  0.06  0.04  0.09  0.33  0.58  0.28 75.120   4   42  0.77   19 1.22 1.01 0.36 1.002
  332_0333   19 -0.17 -0.15  0.15  0.50  0.40  0.25 27.309   2   68  0.65   19 1.22 1.01 0.36 1.002
  333_0334   25 -0.04  0.09  0.08  0.48  0.64  0.30 153.71   6   60  0.67   22 1.22 1.01 0.36 1.002
  334_0335   15 -0.14 -0.07  0.10  0.41  0.27  0.24 62.692   4   40  0.84   18 1.22 1.01 0.36 1.002
  335_0336   10 -0.14  0.06  0.23  0.38  0.21  0.26 101.98   5   20  0.90   19 1.22 1.01 0.36 1.002
  336_0337   15 -0.10 -0.03  0.15  0.35  0.31  0.29 83.105   5   33  0.82   21 1.22 1.01 0.36 1.002
  337_0338   21 -0.01  0.03  0.14  0.46  0.48  0.24 59.051   3   48  0.73   21 1.22 1.01 0.36 1.002
  338_0339   17 -0.01 -0.10 -0.02  0.37  0.40  0.34 42.606   3   41  0.75   20 1.22 1.01 0.36 1.002
  339_0340   18 -0.01  0.02  0.11  0.50  0.33  0.26 109.81   5   44  0.76   20 1.22 1.01 0.36 1.002
Background pixels updated = 94.23%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  340_0341   12  0.11  0.02  0.07  0.49  0.55  0.35 146.41   6   50  0.65   20 1.22 1.01 0.36 1.002
  341_0342   19 -0.09  0.13  0.18  0.44  0.50  0.35 56.627   3   58  0.71   21 1.22 1.01 0.36 1.002
  342_0343   21  0.07 -0.04  0.10  0.41  0.51  0.33 104.75   5   43  0.74   22 1.22 1.01 0.36 1.002
  343_0344   25  0.08  0.05  0.09  0.33  0.50  0.29 134.56   5   56  0.73   20 1.22 1.01 0.36 1.002
  344_0345   16 -0.07 -0.05  0.25  0.39  0.33  0.32 98.804   6   31  0.83   25 1.22 1.01 0.36 1.002
  345_0346    8  0.08  0.17  0.13  0.25  0.34  0.22 104.57   6   38  0.79   24 1.22 1.01 0.36 1.002
  346_0347   19  0.14 -0.08  0.16  0.33  0.35  0.24 336.25  12   37  0.78   21 1.22 1.01 0.36 1.002
  347_0348   14  0.10  0.00  0.21  0.35  0.64  0.30 210.33   8   50  0.77   23 1.22 1.01 0.36 1.002
  348_0349   14  0.07 -0.30  0.14  0.49  0.40  0.29 65.971   4   29  0.77   22 1.22 1.01 0.36 1.002
  349_0350   21 -0.07  0.05  0.16  0.23  0.29  0.28 242.21   9   24  0.86   20 1.22 1.01 0.36 1.002
 
................
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 (363 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:  0.7107300,  0.0000089
 
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)       363         0       363    8.1965    0.9576     4.970    43.569
 
Orientation ('UB') matrix:
  -0.0667298   0.0345613  -0.0299017
  -0.0151051  -0.0545587  -0.0300830
  -0.0671047  -0.0220871   0.0275205
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5165   14.6506   19.9328    90.000    97.149    90.000       3047.23
    0.0033    0.0043    0.0069     0.000     0.008     0.000          2.83
Corrected for goodness of fit:
    0.0045    0.0058    0.0093     0.000     0.011     0.000          3.79
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          138.741      50.478     -65.197
Goniometer zeros (deg):          0.0000*    -1.5054      0.0000*     0.0947    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -8.1702  -0.0139   0.0233   0.1384   0.5658   0.3012
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         2.68309e+03   1.90502e+03    1.34      25         1       1
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 363             363             347
 Average input ESD (pix, pix, deg):          0.11023         0.11170         0.04381
 Goodness of fit:                            1.77487         1.18526         0.85145
 
Background pixels updated = 94.65%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  350_0351   18  0.09 -0.11  0.08  0.41  0.45  0.24 288.19   8   39  0.79   20 1.22 1.01 0.36 1.002
  351_0352   20  0.09  0.01  0.05  0.23  0.36  0.26 79.161   4   50  0.76   21 1.22 1.01 0.36 1.002
  352_0353   17 -0.17  0.06  0.08  0.42  0.35  0.22 167.25   6   53  0.72   20 1.22 1.01 0.36 1.002
  353_0354   23 -0.02 -0.07  0.04  0.27  0.36  0.27 270.07   9   48  0.78   19 1.22 1.01 0.36 1.002
  354_0355   15 -0.14  0.12  0.13  0.37  0.34  0.20 84.674   4   47  0.79   21 1.22 1.01 0.36 1.002
  355_0356   11  0.03 -0.17  0.25  0.28  0.37  0.30 431.90   8   55  0.71   20 1.22 1.01 0.36 1.002
  356_0357   16 -0.08 -0.19  0.02  0.25  0.82  0.26 77.263   4   31  0.79   28 1.22 1.01 0.36 1.002
  357_0358   14  0.03 -0.14 -0.02  0.37  0.41  0.42 76.773   4   57  0.64   21 1.22 1.01 0.36 1.002
  358_0359   16 -0.00  0.07  0.08  0.46  0.49  0.21 68.023   4   56  0.78   24 1.22 1.01 0.36 1.002
  359_0360   19 -0.24  0.11  0.11  0.62  0.70  0.28 45.713   3   58  0.71   20 1.22 1.01 0.36 1.002
Background pixels updated = 94.39%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  360_0361   10 -0.22 -0.20  0.17  0.51  0.50  0.24 39.377   2   60  0.79   19 1.22 1.01 0.36 1.002
  361_0362   20 -0.20  0.22  0.13  0.41  0.43  0.27 98.028   4   50  0.72   20 1.22 1.01 0.36 1.002
  362_0363   18 -0.08  0.01  0.18  0.23  0.28  0.22 158.23   7   28  0.85   19 1.22 1.01 0.36 1.002
  363_0364   18 -0.10  0.27  0.04  0.42  0.47  0.27 138.98   5   56  0.72   21 1.22 1.01 0.36 1.002
  364_0365   26 -0.04 -0.15  0.08  0.35  0.56  0.21 71.200   3   50  0.73   20 1.22 1.01 0.36 1.002
  365_0366    9 -0.05 -0.11  0.14  0.42  0.47  0.25 59.222   4   56  0.74   29 1.22 1.01 0.36 1.002
  366_0367   16  0.12 -0.01  0.13  0.34  0.37  0.22 98.299   6   31  0.82   23 1.22 1.01 0.36 1.002
  367_0368   13 -0.10 -0.05 -0.01  0.33  0.56  0.32 59.239   3   69  0.66   19 1.22 1.01 0.36 1.002
  368_0369   21 -0.11  0.00  0.08  0.47  0.53  0.21 259.89   6   57  0.64   20 1.22 1.01 0.36 1.002
  369_0370   13 -0.15  0.15  0.08  0.42  0.52  0.28 76.751   3   54  0.71   21 1.22 1.01 0.36 1.002
  370_0371   18 -0.03  0.05  0.12  0.63  0.66  0.27 98.451   4   61  0.67   21 1.22 1.01 0.36 1.002
  371_0372   19 -0.10  0.20  0.14  0.38  0.44  0.25 140.30   5   53  0.75   19 1.22 1.01 0.36 1.002
  372_0373   15  0.07 -0.06  0.06  0.70  0.20  0.22 44.414   3   40  0.74   22 1.22 1.01 0.36 1.002
  373_0374   24  0.04  0.12  0.13  0.31  0.44  0.25 224.54   8   42  0.77   22 1.22 1.01 0.36 1.002
  374_0375   20 -0.01  0.14  0.19  0.46  0.67  0.29 100.64   5   40  0.80   21 1.22 1.01 0.36 1.002
  375_0376   18 -0.14  0.20  0.17  0.37  0.52  0.28 351.25   8   56  0.75   20 1.22 1.01 0.36 1.002
  376_0377   17  0.04 -0.11  0.01  0.54  0.28  0.33 40.885   2   53  0.71   18 1.22 1.01 0.36 1.002
  377_0378   12 -0.03  0.05  0.08  0.40  0.63  0.21 142.35   6   58  0.66   20 1.22 1.01 0.36 1.002
  378_0379   19  0.03  0.13  0.07  0.36  0.63  0.22 47.202   3   58  0.64   22 1.22 1.01 0.36 1.002
  379_0380   12 -0.09  0.01  0.11  0.25  0.17  0.28 213.05   7   33  0.81   22 1.22 1.01 0.36 1.002
Background pixels updated = 94.45%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  380_0381   16 -0.06  0.05  0.09  0.43  0.46  0.45 60.386   3   56  0.64   22 1.22 1.01 0.36 1.002
  381_0382   18 -0.04 -0.08  0.20  0.41  0.35  0.22 125.63   5   39  0.76   20 1.22 1.01 0.36 1.002
  382_0383   16 -0.08  0.13  0.09  0.32  0.46  0.25 93.093   5   38  0.80   20 1.22 1.01 0.36 1.002
  383_0384   15 -0.08 -0.06  0.15  0.26  0.38  0.30 91.836   4   60  0.71   24 1.22 1.01 0.36 1.002
  384_0385   21 -0.14 -0.04  0.04  0.39  0.42  0.30 73.299   3   57  0.75   20 1.22 1.01 0.36 1.002
  385_0386   14  0.02  0.04  0.13  0.29  0.31  0.34 64.349   4   50  0.71   23 1.22 1.01 0.36 1.002
  386_0387   20 -0.09  0.03  0.10  0.42  0.44  0.29 124.44   4   65  0.67   19 1.22 1.01 0.36 1.002
  387_0388   19 -0.27  0.14  0.15  0.69  0.40  0.28 137.14   5   58  0.71   17 1.22 1.01 0.36 1.002
  388_0389   13 -0.17 -0.08  0.15  0.37  0.45  0.29 139.07   5   38  0.80   19 1.22 1.01 0.36 1.002
  389_0390   15  0.00  0.12  0.16  0.50  0.36  0.25 50.644   3   53  0.77   25 1.22 1.01 0.36 1.002
  390_0391   16 -0.18 -0.12  0.09  0.36  0.39  0.25 61.628   3   38  0.75   20 1.22 1.01 0.36 1.002
  391_0392   19  0.10  0.09  0.06  0.43  0.44  0.24 185.82   8   37  0.75   23 1.22 1.01 0.36 1.002
  392_0393   17 -0.14  0.08  0.09  0.43  0.46  0.34 48.134   3   59  0.68   21 1.22 1.01 0.36 1.002
  393_0394   18 -0.23 -0.01  0.12  0.41  0.44  0.29 112.12   6   33  0.77   23 1.22 1.01 0.36 1.002
  394_0395    9 -0.00 -0.06  0.17  0.32  0.23  0.22 61.170   3   44  0.73   21 1.22 1.01 0.36 1.002
  395_0396   15  0.02  0.20  0.11  0.41  0.47  0.20 220.38   7   53  0.68   20 1.22 1.01 0.36 1.002
  396_0397   15  0.18  0.07  0.16  0.42  0.37  0.29 81.104   5   67  0.61   21 1.22 1.01 0.36 1.002
  397_0398   22 -0.13  0.21  0.25  0.45  0.47  0.36 104.89   5   41  0.80   19 1.22 1.01 0.36 1.002
  398_0399   22 -0.10  0.01  0.11  0.38  0.37  0.33 158.90   5   55  0.71   19 1.22 1.01 0.36 1.002
  399_0400   11 -0.27  0.05  0.11  0.46  0.38  0.27 98.872   5   36  0.79   22 1.22 1.01 0.36 1.002
 
................
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 (363 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:  0.7107300,  0.0000089
 
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)       363         0       363    8.1844    0.9578     4.977    43.556
 
Orientation ('UB') matrix:
  -0.0666532   0.0345840  -0.0299370
  -0.0150513  -0.0545849  -0.0301338
  -0.0671974  -0.0220777   0.0276075
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5133   14.6443   19.8887    90.000    97.025    90.000       3039.08
    0.0033    0.0044    0.0074     0.000     0.008     0.000          2.90
Corrected for goodness of fit:
    0.0036    0.0047    0.0079     0.000     0.009     0.000          3.09
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          138.689      50.544     -65.245
Goniometer zeros (deg):          0.0000*    -1.4637      0.0000*     0.0905    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -8.2704   0.0307   0.0180   0.1302   0.5369   0.3690
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         2.33147e+03   1.20306e+03    1.07       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 363             363             347
 Average input ESD (pix, pix, deg):          0.10951         0.11190         0.04663
 Goodness of fit:                            1.19819         1.16130         0.74457
 
BG snapshot written to /home/isengard/data/kla0410/work/bg_snap_02_0004.sfrm
 
I/Sigma = 27.88   Thresh = 0.020   Blend = F   #Contributing = 372   InitialProfileWt = 0.000
Region 1
Sum = 11487.7;   Maximum = 552.318;   FM = 0.918
!Re0   Blend = F   #Contributing = 270   InitialProfileWt = 0.000
Region 5
Sum = 33636.7;   Maximum = 1799.08;   FM = 0.891
!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 = 75.82   Thresh = 0.020   Blend = F   #Contributing = 135   InitialProfileWt = 0.000
Region 6
Sum = 73364.4;   Maximum = 3672.96;   FM = 0.922
!Region 6: Section 1->3
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I/Sigma = 43.03   Thresh = 0.020   Blend = F   #Contributing = 247   InitialProfileWt = 0.000
Region 7
Sum = 24987.6;   Maximum = 1336.01;   FM = 0.909
!Region 7: Section 1->3
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I/Sigma = 23.17   Thresh = 0.020   Blend = F   #Contributing = 80   InitialProfileWt = 0.000
Region 8
Sum = 7569.6;   Maximum = 354.127;   FM = 0.912
!Region 8: Section 1->3
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I/Sigma = 14.96   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.586
Region 9
Sum = 2369.12;   Maximum = 98.0015;   FM = 0.899
!Region 9: Section 1->3
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Background pixels updated = 94.56%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  500_0501   16 -0.08  0.26 -0.07  0.44  0.40  0.26 54.108   3   44  0.77   20 1.23 1.01 0.36 1.002
  501_0502   24 -0.17  0.01 -0.06  0.31  0.36  0.31 201.77   7   21  0.84   21 1.23 1.01 0.36 1.002
  502_0503   19 -0.05  0.03 -0.03  0.32  0.34  0.28 111.92   6   32  0.81   22 1.23 1.01 0.36 1.002
  503_0504   19 -0.07  0.06  0.06  0.34  0.34  0.21 97.233   5   37  0.80   19 1.23 1.01 0.36 1.002
  504_0505   19 -0.02 -0.07 -0.06  0.34  0.35  0.21 102.38   5   37  0.73   23 1.23 1.01 0.36 1.002
  505_0506    9  0.01 -0.05  0.05  0.48  0.30  0.28 170.57   5   44  0.75   19 1.23 1.01 0.36 1.002
  506_0507   12 -0.04  0.15  0.03  0.25  0.49  0.17 219.40   6   33  0.78   19 1.23 1.01 0.36 1.002
  507_0508   19 -0.09 -0.03 -0.02  0.48  0.34  0.30 73.042   3   42  0.74   19 1.23 1.01 0.36 1.002
  508_0509   17 -0.04  0.12  0.08  0.38  0.41  0.33 121.01   6   35  0.82   19 1.23 1.01 0.36 1.002
  509_0510   18 -0.08 -0.00  0.02  0.32  0.42  0.27 61.064   3   33  0.76   22 1.23 1.01 0.36 1.002
  510_0511    9 -0.26  0.22  0.09  0.42  0.37  0.43 145.32   6   33  0.88   19 1.23 1.01 0.36 1.002
  511_0512   24  0.01 -0.04  0.07  0.41  0.36  0.31 95.150   5   50  0.75   22 1.23 1.01 0.36 1.002
  512_0513   20 -0.06  0.10  0.02  0.31  0.36  0.27 75.660   4   40  0.75   23 1.23 1.01 0.36 1.002
  513_0514   19 -0.25 -0.10  0.00  0.49  0.32  0.20 56.513   3   58  0.71   21 1.23 1.01 0.36 1.002
  514_0515   12 -0.05 -0.00  0.01  0.40  0.58  0.15 131.14   5   67  0.69   18 1.23 1.01 0.36 1.002
  515_0516   15  0.05 -0.03 -0.04  0.22  0.36  0.32 263.05  10   33  0.82   22 1.23 1.01 0.36 1.002
  516_0517   12  0.02  0.13  0.02  0.26  0.26  0.25 67.207   4   25  0.81   21 1.23 1.01 0.36 1.002
  517_0518   14 -0.02  0.16  0.06  0.29  0.46  0.27 101.55   5   50  0.70   19 1.23 1.01 0.36 1.002
  518_0519   18 -0.03  0.12 -0.05  0.27  0.35  0.30 120.32   4   56  0.69   19 1.23 1.01 0.36 1.002
  519_0520   25 -0.13 -0.12 -0.07  0.40  0.46  0.31 58.280   5   52  0.74   23 1.23 1.01 0.36 1.002
Background pixels updated = 94.84%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  520_0521   20 -0.15  0.06  0.03  0.43  0.37  0.22 151.35   6   40  0.79   24 1.23 1.01 0.36 1.002
  521_0522   19 -0.18  0.19  0.02  0.35  0.43  0.21 121.61   4   63  0.71   21 1.23 1.01 0.36 1.002
  522_0523   13 -0.21  0.09 -0.03  0.46  0.40  0.26 214.92   8   46  0.74   23 1.23 1.01 0.36 1.002
  523_0524   21 -0.10  0.05 -0.01  0.30  0.38  0.23 152.82   6   29  0.84   21 1.23 1.01 0.36 1.002
  524_0525   17 -0.12 -0.02 -0.08  0.28  0.50  0.22 63.812   4   59  0.76   20 1.23 1.01 0.36 1.002
  525_0526   17 -0.07  0.03 -0.04  0.28  0.45  0.19 88.658   3   53  0.72   20 1.23 1.01 0.36 1.002
  526_0527    9 -0.16  0.06  0.01  0.29  0.31  0.19 51.138   3   33  0.75   24 1.23 1.01 0.36 1.002
  527_0528   15 -0.13 -0.19 -0.08  0.46  0.34  0.26 117.22   5   33  0.81   20 1.23 1.01 0.36 1.002
  528_0529   20 -0.07 -0.09 -0.08  0.34  0.34  0.27 82.482   4   25  0.82   20 1.23 1.01 0.36 1.002
  529_0530   16 -0.20  0.02  0.04  0.43  0.32  0.28 96.025   4   44  0.74   19 1.23 1.01 0.36 1.002
  530_0531   20 -0.08  0.09 -0.01  0.41  0.33  0.27 161.86   7   40  0.79   19 1.23 1.01 0.36 1.002
  531_0532   18 -0.06  0.07 -0.06  0.26  0.31  0.28 236.51   7   44  0.81   19 1.24 1.01 0.36 1.002
  532_0533   18 -0.20 -0.05  0.06  0.37  0.33  0.15 128.99   7   44  0.81   20 1.24 1.00  0  0
  0  0  0  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 = 16.27   Thresh = 0.020   Blend = F   #Contributing = 7   InitialProfileWt = 0.449
Region 9
Sum = 3136.06;   Maximum = 128.794;   FM = 0.923
!Region 9: Section 1->3
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!Region 9: Section 4->6
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!Region 9: 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
 
 
Requested number of frames processed: /home/isengard/data/kla0410/kla0410_02_0600.sfrm
 
 
Overall Integration Statistics ("*" => excluded from output)
 
Spots with rescanned pixels:                    0
Total rescanned pixels:                         0
Minimum pixel ceiling(frame):              495000(kla0410_02_0001.sfrm)
Maximum pixel ceiling(frame):              495000(kla0410_02_0001.sfrm)
 
Total spots predicted:                      10809
Spots with absolute HKL > 511:                  0*
Spots outside resolution limit:                 1*
Spots outside active detector area:           680*
Outside frame limits:                          68*
Spots exceeding frame queue size:              25*
Collisions(same XY, adjacent frame):            0*
Spots exceeding dynamic range:                  0*
Spots with too many spot components:            0*
Spots with large Lorentz factor:                0*
Spots with too much missing I:                  0*
Spots with too few BG pixels:                   0*
Spots below I/sigma threshold:                  0*
Spots left in Write-Behind Cache:               0*
Spots with unwanted components:                 0*
Total unwanted components:                      0*
Good spots written:                         10031
Total spot components written:              10031
Twin overlaps integrated:                       0
Partial, strong, full overlaps:                 0       0       0
Full overlaps collapsed to singlet:             0
Singlets (used in stats below):             10031
Twin overlaps written:                          0
 
Average Intensity:                       124.6521
Average I/sigma:                           9.1904
% over "strong" threshold:                  14.25
% less than 2 sigma:                        44.80
% which spanned more than 1 frame:          72.55
 
Average X,Y,Z positional errors:            -0.02    0.02    0.04
RMS X,Y,Z positional errors:                 0.42    0.43    0.27
% X,Y,Z more than 0.5 pixel:                19.44   19.90    6.37
% X,Y,Z more than 1.0 pixel:                 2.83    3.23    0.30
 
Avg % profile volume populated:             99.40
Avg % profile volume integrated:            17.83
Avg % profile missing I:                     0.54
Avg % profile missing volume:                0.60
Avg % volume overlap in H,K,L:               0.00    0.00    0.00
Percent of profile used in X,Y,Z:           88.89   88.89   77.78
Max % intensity on XYZ boundaries:           1.66    1.26    0.11
 
Average spot-shape correlation:             0.640
RMS spot-shape correlation:                 0.751
 
Profile Shape Correlation
I/sigma from     to    Correl       +/-       #
         0.0    1.0     0.276     0.255    2868
         1.0    2.0     0.638     0.191    1626
         2.0    4.0     0.877     0.096    2322
         4.0    8.0     0.954     0.033    1381
         8.0   16.0     0.972     0.018    1077
        16.0   32.0     0.977     0.013     549
        32.0   64.0     0.976     0.017     165
        64.0  128.0     0.976     0.018      40
       128.0  256.0     0.982     0.004       3
 
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
 
Elapsed since program start (sec):        127.670
Elapsed since INTEGRATE command (sec):    126.389
Integration time, this run (sec):          38.737
Time in unit-cell LS (sec):                 1.136
Per-frame integration time (sec):           0.063
 
 
Integration completed normally ======================== 06/23/2013 12:00:45
 
 
Applying profile correlation filter from /home/isengard/data/kla0410/work/unsorted.raw to /home/isengard/data/kla0410/work/corrfilt.raw
Scale of 1.0227717 will be applied to LS-fit intensities
 
Number of reflections read:                  10031
Number of LS-fit intensities scaled:          8197
Number rejected due to poor spot shape:         20
Number unwritable (I, sigma too large):          0
Number written:                              10011
 
Sorting Reflection File ============================== 06/23/13 12:00:45
 
Integration of kla0410
 
Sorting input files:
              1 /home/isengard/data/kla0410/work/corrfilt.raw
 
Sorting to output file /home/isengard/data/kla0410/work/kla0410_02.raw
 
Component 1 in sample 1 (1 in file):
Point group "2/m(B-unique)", #3 (internal number)
4 symmetry operators
    1 0 0   -1 0 0   -1 0 0    1 0 0
    0 1 0    0 1 0    0-1 0    0-1 0
    0 0 1    0 0-1    0 0-1    0 0 1
 
Beginning sort with 128MB memory requested...
     10011 reflections read from file   1--/home/isengard/data/kla0410/work/corrfilt.raw
     10011 reflections written to /home/isengard/data/kla0410/work/kla0410_02.raw
 
Computing Reflection File Statistics ========== 06/23/13 12:00:46
Integration of kla0410
 
...................................................................................
Statistics for reflections in kla0410_02.raw
File is in BrukerAXS area detector ASCII format
 
Number of lines read (incl comments) =            10011
Number of reflection records read =               10011
Number of records with bad component number =         0
Number of records with bad status value =             0
Number of spots used =                            10011
Number of spot components used =                  10011
 
...................................................................................
Integration of kla0410
Statistics for sample 1 of 1 in kla0410_02.raw
 
Lattice:  P (Primitive)
Point group "2/m(B-unique)", #3 (internal number)
4 symmetry operators
    1 0 0   -1 0 0   -1 0 0    1 0 0
    0 1 0    0 1 0    0-1 0    0-1 0
    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   10.497   14.651   19.862   90.000   97.358   90.000      2/mB   Monoclinic B-uniq
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_02.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      8      7      8      8 12.5   254.974  53.09    1.97 0.036 -0.028  1.4 0.042 0.033  0.66 .15-.36-.23 .43 .49 .53
    32.000     45     22     44     40  4.4   966.628  81.48    2.08 0.035  0.012  1.7 0.014 0.058  0.66 .26-.07 .10 .51 .22 .39
    64.000    160     75    150    145 10.6   615.032  46.96    2.06 0.037  0.009  1.2 0.041 0.065  0.53 .14-.04 .08 .42 .26 .30
    96.000    293    147    268    269 12.6   592.590  35.68    2.04 0.039  0.002  0.9 0.025 0.077  0.70 .14-.02 .04 .37 .26 .23
   128.000    438    228    399    401 16.7   359.760  22.47    2.00 0.039  0.006  0.7 0.001 0.072115.68 .07-.01 .04 .35 .29 .20
   160.000    582    318    527    528 17.9   256.908  16.06    1.99 0.044 -0.003  0.5 0.000 0.084  0.00 .05 .02 .03 .34 .31 .21
   192.000    743    411    673    642 24.5   224.585  13.49    1.98 0.045 -0.004  0.5 0.000 0.090  0.00 .00 .02 .05 .34 .38 .21
   224.000    869    486    791    702 28.1   140.933   8.97    1.97 0.053 -0.001  0.4 0.000 0.105  0.00 .00 .03 .06 .34 .39 .23
   256.000   1011    558    919    768 34.8    98.923   6.51    1.96 0.066 -0.002  0.4 0.000 0.130  0.00-.01 .01 .06 .35 .39 .25
   288.000   1095    558    992    771 40.7    77.695   5.22    1.93 0.080 -0.007  0.4 0.000 0.166  0.00-.04 .04 .05 .40 .43 .25
   320.000   1175    526   1068    723 50.7    50.143   3.72    1.89 0.102 -0.002  0.4 0.000 0.210  0.00-.05 .04 .04 .42 .48 .29
   352.000   1193    449   1083    645 60.6    35.478   2.89    1.85 0.127 -0.008  0.4 0.000 0.248  0.00-.08 .02 .04 .45 .47 .30
   384.000   1209    360   1106    533 66.9    24.805   2.24    1.81 0.160 -0.001  0.4 0.000 0.315  0.00-.07 .05 .03 .51 .50 .31
   416.000    961    238    872    370 75.3    17.699   1.71    1.78 0.220 -0.008  0.4 0.000 0.452  0.00-.03-.02 .03 .52 .46 .31
   448.000    229     60    216     81 80.3    12.503   1.29    1.77 0.248 -0.015  0.4 0.000 0.492  0.00 .03-.08 .01 .53 .49 .32
   480.000      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
   512.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_02.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    308    294    308    294 42.5    49.538   4.98    1.73 0.086  0.019  0.5 0.000 0.171  0.00-.06 .25 .06 .31 .65 .31
    32.000    454    402    454    402 46.0    69.731   6.37    1.81 0.076  0.018  0.5 0.000 0.151  0.00 .02 .13 .05 .38 .43 .29
    64.000    536    446    536    446 43.8    73.105   6.12    1.85 0.073  0.029  0.5 0.000 0.147  0.00-.05 .12 .06 .41 .42 .31
    96.000    619    495    619    495 45.9    95.138   7.46    1.87 0.062  0.021  0.4 0.000 0.124  0.00 .00 .11 .03 .40 .43 .30
   128.000    679    519    679    519 43.6   116.796   8.48    1.90 0.051  0.014  0.5 0.000 0.103115.68-.03 .07 .05 .41 .41 .29
   160.000    747    540    747    542 47.1   149.556  10.10    1.93 0.044  0.012  0.4 0.000 0.088  0.70-.03 .04 .03 .41 .42 .26
   192.000    789    533    789    551 44.4   166.500  11.05    1.95 0.043  0.011  0.4 0.000 0.085  0.81-.00 .05 .01 .42 .39 .27
   224.000    811    501    811    548 44.4   158.345  10.31    1.96 0.043  0.004  0.4 0.000 0.082  0.26-.05 .04 .02 .48 .42 .25
   256.000    814    449    813    526 43.9   186.413  11.81    1.98 0.046 -0.009  0.5 0.041 0.076  0.44-.04-.03 .04 .42 .38 .24
   288.000    800    367    798    475 46.8   175.514  11.45    1.97 0.052 -0.027  0.5 0.032 0.105  0.78-.00-.00 .04 .46 .40 .25
   320.000    759    296    754    427 46.6   155.396  10.37    1.95 0.059 -0.024  0.6 0.028 0.153  1.06-.01-.05 .04 .44 .38 .26
   352.000    716    226    708    406 45.4   117.649   8.56    1.92 0.062 -0.016  0.5 0.043 0.206  0.15-.02-.06 .05 .43 .37 .25
   384.000    629    117    618    328 43.9    87.892   6.90    1.89 0.065  0.002  0.5 0.001 0.323115.68-.02-.04 .04 .42 .44 .26
   416.000    560     33    542    276 46.1    77.293   6.20    1.87 0.066  0.011  0.5 0.000 0.443  0.00 .00-.04 .06 .42 .44 .27
   448.000    484      0    469    244 42.6    88.731   7.18    1.84 0.055  0.018  0.5 0.000 0.000  0.00 .02-.07 .08 .41 .47 .28
   480.000    306      0    299    147 41.5    60.621   5.78    1.76 0.053  0.016  0.4 0.000 0.000  0.00-.00-.17 .07 .35 .59 .25
   512.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_02.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    207    175    204    195 26.6   140.646   8.16    2.03 0.049 -0.012  0.4 0.000 0.086  0.00-.03 .02 .04 .34 .29 .20
    30.000    601    442    580    512 29.1   176.854   9.73    2.02 0.044 -0.008  0.4 0.000 0.081  0.00-.02 .02 .03 .37 .36 .21
    60.000    955    601    916    716 33.7   156.744   9.30    2.00 0.048 -0.004  0.4 0.000 0.090  0.00-.01 .03 .03 .39 .38 .22
    90.000   1248    684   1190    847 39.9   163.551  10.24    1.97 0.053 -0.012  0.5 0.001 0.105115.68-.03 .00 .04 .41 .38 .25
   120.000   1479    730   1410    970 43.6   159.846  10.80    1.94 0.054 -0.007  0.5 0.039 0.109  0.15-.03 .02 .04 .41 .40 .26
   150.000   1653    712   1574   1040 48.5   105.046   8.06    1.90 0.056  0.006  0.5 0.026 0.117  1.06-.03 .03 .04 .44 .42 .28
   180.000   1759    685   1675   1031 52.5   114.648   9.31    1.86 0.055  0.013  0.5 0.051 0.110  0.26-.02-.01 .04 .45 .44 .29
   210.000   1279    514   1242    789 51.7    73.513   6.73    1.82 0.065  0.017  0.5 0.014 0.145  0.66-.01 .02 .05 .45 .45 .29
   240.000    699    282    681    439 50.8    67.028   6.77    1.76 0.060  0.015  0.5 0.045 0.146  0.69 .03 .04 .05 .38 .57 .30
   270.000    131     47    129     87 44.3    64.101   7.70    1.66 0.045  0.002  0.5 0.033 0.108  0.55-.03 .05 .11 .43 .64 .35
   300.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_02.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   1579    467   1181   1321 18.7   306.938  18.83    2.00 0.046 -0.010  0.7 0.034 0.096  0.66 .04-.08 .06 .37 .32 .22
     2.000   3489    889   3199   1508 56.8    48.651   3.79    1.88 0.100 -0.018  0.4 0.000 0.206  0.00-.03-.03 .04 .45 .46 .27
     3.000   1560   1126   1287   1415 23.4   275.245  17.77    1.98 0.039  0.014  0.6 0.000 0.084  0.66 .05 .10 .03 .33 .36 .23
     4.000   3383   1608   2660   2382 54.7    49.192   3.88    1.85 0.091  0.009  0.4 0.000 0.176  0.00-.06 .08 .04 .45 .46 .30
     5.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_02.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   1892   1164   1691   1516 31.6   163.746   9.42    2.01 0.047 -0.007  0.4 0.000 0.089  0.00-.01 .02 .03 .38 .36 .22
     2.000   1230    411   1179    536 68.9    27.886   2.35    1.83 0.141 -0.014  0.4 0.000 0.279  0.00-.07 .01 .03 .52 .46 .30
     3.000   1689    384   1636    604 63.9    31.473   2.69    1.84 0.149 -0.018  00>26(.00 0.%%>00 0,'(0  !$$& .00:'!$7> 1%'.7=0&80.!!!.617>> ,2$!0   ! (8.)>0!340,*.:#00>;6&..!%->?##=040 $3- !(  4*
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 .00 0.! >00 0+$'0  0,)( .00;#80>> 3&$.$50 00.! (.642>> (0"(0   ! (9..>0(000,+.8 0>Ynz{grajwn:v0kla=413
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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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.04556;   Maximum = 0.0365141;   FM = 0.0119
!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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1.04405;   Maximum = 0.0365433;   FM = 0.0117
!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 = 22.07   Thresh = 0.020   Blend = F   #Contributing = 7   InitialProfileWt = 0.393
Region 5
Sum = 6396.24;   Maximum = 225.789;   FM = 0.01
!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 = 35.69   Thresh = 0.020   Blend = F   #Contributing = 3   InitialProfileWt = 0.670
Region 6
Sum = 14675.4;   Maximum = 331.417;   FM = 0.153
!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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  0  0  0  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 = 16.77   Thresh = 0.020   Blend = F   #Contributing = 4   InitialProfileWt = 0.586
Region 7
Sum = 3053.6;   Maximum = 95.3943;   FM = 0.109
!Region 7: Section 1->3
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!Region 7: Section 4->6
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   54_0055   16 -0.59 -0.15  0.00  0.77  0.38  0.26 83.800   3   44  0.68   36 1.36 1.46 0.47 1.002
   55_0056   17 -0.61 -0.16 -0.09  0.75  0.32  0.20 86.623   3   47  0.64   37 1.36 1.46 0.47 1.002
   56_0057   16 -0.37 -0.05 -0.03  0.63  0.42  0.28 55.760   2   63  0.60   40 1.36 1.46 0.47 1.002
   57_0058   16 -0.34 -0.14 -0.00  0.65  0.37  0.13 84.815   3   69  0.53   34 1.36 1.47 0.47 1.002
   58_0059   14 -0.44 -0.25 -0.01  0.63  0.50  0.31 31.095   2   64  0.57   40 1.36 1.47 0.47 1.002
   59_0060   12 -0.34 -0.10  0.11  0.60  0.42  0.34 55.113   2   67  0.59   42 1.36 1.47 0.47 1.002
Background pixels updated = 97.39%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   60_0061   19 -0.66 -0.24 -0.15  0.78  0.44  0.31 56.160   3   37  0.68   44 1.36 1.47 0.47 1.002
   61_0062   15 -0.69 -0.20 -0.17  0.84  0.43  0.35 113.91   3   47  0.69   40 1.35 1.46 0.47 1.002
   62_0063   19 -0.51 -0.14 -0.07  0.82  0.31  0.19 82.861   3   53  0.65   36 1.36 1.45 0.47 1.002
   63_0064    8 -0.49 -0.21  0.01  0.74  0.33  0.24 36.088   2   63  0.64   42 1.36 1.45 0.47 1.002
   64_0065   21 -0.43 -0.16 -0.05  0.65  0.45  0.31 80.796   3   62  0.54   44 1.35 1.44 0.47 1.002
   65_0066   13 -0.42 -0.25 -0.04  0.68  0.46  0.26 81.170   3   62  0.51   46 1.35 1.44 0.47 1.002
   66_0067   20 -0.38 -0.11  0.01  0.59  0.32  0.27 58.884   2   65  0.61   40 1.35 1.44 0.47 1.002
   67_0068   18 -0.50 -0.15 -0.03  0.72  0.48  0.36 59.794   3   44  0.66   44 1.35 1.44 0.47 1.002
   68_0069   21 -0.73  0.06 -0.14  0.91  0.48  0.35 125.99   5   38  0.70   43 1.35 1.43 0.47 1.002
   69_0070   14 -0.59 -0.13 -0.14  0.79  0.35  0.28 651.03   9   36  0.68   40 1.36 1.44 0.47 1.002
   70_0071   21 -0.45  0.01 -0.06  0.72  0.25  0.29 88.464   4   48  0.64   40 1.36 1.43 0.46 1.002
   71_0072   17 -0.67 -0.21 -0.18  0.83  0.40  0.35 187.57   5   41  0.69   41 1.37 1.43 0.45 1.002
   72_0073   22 -0.52 -0.24  0.02  0.75  0.45  0.42 156.66   5   45  0.65   38 1.37 1.43 0.45 1.002
   73_0074   21 -0.45 -0.11  0.02  0.68  0.39  0.19 205.60   5   48  0.68   38 1.38 1.43 0.45 1.002
   74_0075    9 -0.42 -0.12  0.01  0.62  0.43  0.31 173.01   4   56  0.59   34 1.39 1.43 0.44 1.002
   75_0076   21 -0.42 -0.16 -0.05  0.71  0.42  0.27 53.743   3   48  0.61   41 1.39 1.43 0.44 1.002
   76_0077   19 -0.57 -0.08 -0.08  0.80  0.34  0.27 70.096   3   37  0.68   38 1.39 1.43 0.44 1.002
   77_0078   24 -0.63 -0.09  0.01  0.84  0.39  0.36 409.50   9   38  0.73   43 1.40 1.43 0.44 1.002
   78_0079   17 -0.40 -0.10 -0.10  0.59  0.33  0.25 44.263   2   41  0.63   38 1.40 1.43 0.43 1.002
   79_0080   14 -0.32 -0.07 -0.09  0.63  0.35  0.27 31.391   2   50  0.62   39 1.40 1.43 0.43 1.002
Background pixels updated = 97.55%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   80_0081   18 -0.42 -0.29  0.04  0.77  0.46  0.40 88.022   4   50  0.72   38 1.40 1.42 0.43 1.002
   81_0082   23 -0.50 -0.17  0.03  0.73  0.47  0.21 249.51   5   43  0.66   39 1.41 1.42 0.43 1.002
   82_0083   16 -0.33 -0.31 -0.02  0.56  0.49  0.21 60.733   3   38  0.57   40 1.41 1.42 0.43 1.002
   83_0084   11 -0.31 -0.07  0.12  0.60  0.49  0.34 79.410   3   64  0.52   38 1.41 1.42 0.43 1.002
   84_0085   19 -0.28  0.08  0.04  0.51  0.43  0.24 207.87   5   74  0.53   38 1.41 1.43 0.44 1.002
   85_0086   18 -0.30 -0.24  0.04  0.53  0.38  0.28 56.873   2   50  0.59   38 1.41 1.43 0.43 1.002
   86_0087   21 -0.30 -0.07 -0.02  0.64  0.41  0.32 124.18   4   62  0.60   43 1.41 1.43 0.43 1.002
   87_0088   12 -0.36 -0.16 -0.06  0.78  0.36  0.37 149.84   4   50  0.67   43 1.41 1.43 0.43 1.002
   88_0089    9 -0.33 -0.07 -0.07  0.58  0.38  0.25 17.876   1   78  0.50   36 1.41 1.43 0.43 1.002
   89_0090   23 -0.38 -0.19  0.03  0.57  0.42  0.35 130.93   4   43  0.64   38 1.41 1.43 0.43 1.002
   90_0091   16 -0.37 -0.22 -0.05  0.58  0.38  0.30 92.461   3   69  0.63   35 1.41 1.43 0.43 1.002
   91_0092   16 -0.35 -0.03 -0.01  0.71  0.37  0.29 226.51   5   50  0.71   39 1.42 1.43 0.43 1.002
   92_0093   13 -0.47 -0.14 -0.08  0.65  0.40  0.20 187.11   6   38  0.76   38 1.42 1.43 0.42 1.002
   93_0094   17 -0.17 -0.15  0.04  0.50  0.39  0.38 49.367   2   59  0.65   35 1.42 1.43 0.42 1.002
   94_0095   20 -0.37 -0.08  0.07  0.62  0.24  0.37 126.36   6   50  0.65   41 1.42 1.43 0.42 1.002
   95_0096   11 -0.58 -0.47 -0.22  0.75  0.57  0.37 60.241   3   55  0.68   41 1.42 1.43 0.42 1.002
   96_0097   12 -0.36  0.07  0.06  0.66  0.44  0.21 67.298   3   42  0.68   38 1.42 1.43 0.42 1.002
   97_0098   16 -0.16 -0.28  0.08  0.58  0.54  0.41 41.410   2   63  0.60   36 1.42 1.43 0.42 1.002
   98_0099   17 -0.52 -0.18 -0.21  0.79  0.40  0.39 154.73   5   41  0.70   41 1.42 1.43 0.42 1.002
   99_0100   14 -0.61 -0.19 -0.08  0.72  0.36  0.20 213.17   6   29  0.79   36 1.43 1.42 0.41 1.002
Background pixels updated = 97.25%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  100_0101   17 -0.39 -0.10  0.06  0.61  0.35  0.24 107.77   3   59  0.65   38 1.43 1.43 0.41 1.002
  101_0102   16 -0.51 -0.10  0.06  0.80  0.46  0.19 163.78   5   31  0.74   36 1.43 1.43 0.41 1.002
  102_0103   25 -0.38 -0.08 -0.07  0.66  0.34  0.29 122.24   5   56  0.70   40 1.44 1.43 0.41 1.002
 
I/Sigma = 28.63   Thresh = 0.020   Blend = F   #Contributing = 36   InitialProfileWt = 0.027
Region 1
Sum = 10743.5;   Maximum = 308.08;   FM = 0.606
!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 = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.04395;   Maximum = 0.0296378;   FM = 0.563
!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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.04605;   Maximum = 0.0288618;   FM = 0.649
!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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  0  0  0  1  3  6  8  5  1    0  0  0  0  0  1  1  0  0    0  0  0  0  0  0  0  0  0
  0  0  0  1  1  3  4  3  1    0  0  0  0  0  0  1  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 = 18.13   Thresh = 0.020   Blend = F   #Contributing = 10   InitialProfileWt = 0.263
Region 4
Sum = 4323.29;   Maximum = 118.766;   FM = 0.66
!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 = 37.25   Thresh = 0.020   Blend = F   #Contributing = 26   InitialProfileWt = 0.046
Region 5
Sum = 18582.2;   Maximum = 532.539;   FM    0  0  0  0  0  0  0  0  0    0  1  2  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  0  1  1  1  1  0  0  0
!Region 3: Section 4->6
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!Region 3: Section 7->9
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I/Sigma = 21.14   Thresh = 0.020   Blend = F   #Contributing = 14   InitialProfileWt = 0.154
Region 4
Sum = 5968.33;   Maximum = 142.621;   FM = 0.889
!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 = 40.74   Thresh = 0.020   Blend = F   #Contributing = 32   InitialProfileWt = 0.027
Region 5
Sum = 21831;   Maximum = 529.58;   FM = 0.893
!Region 5: Section 1->3
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!Region 5: Section 4->6
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I/Sigma = 66.87   Thresh = 0.020   Blend = F   #Contributing = 15   InitialProfileWt = 0.154
Region 6
Sum = 60450.4;   Maximum = 1575.01;   FM = 0.854
!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 = 44.11   Thresh = 0.020   Blend = F   #Contributing = 31   InitialProfileWt = 0.041
Region 7
Sum = 26829.5;   Maximum = 704.715;   FM = 0.865
!Region 7: Section 1->3
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!Region 7: Section 4->6
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I/Sigma = 22.99   Thresh = 0.020   Blend = F   #Contributing = 11   InitialProfileWt = 0.230
Region 8
Sum = 7129.26;   Maximum = 199.622;   FM = 0.796
!Region 8: Section 1->3
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I/Sigma = 12.27   Thresh = 0.020   Blend = F   #Contributing = 3   InitialProfileWt = 0.670
Region 9
Sum = 1557.89;   Maximum = 40.4836;   FM = 0.863
!Region 9: Section 1->3
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  1  3  8 16 22 21 12  5  1    1  4 12 25 36 34 21  8  2    1  3 10 21 32 31 20  8  2
  0  1  2  5  7  7  5  2  1    0  1  4  7 11 12  8  4  1    0  1  3  7 11 12  9  4  1
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!Region 7: Section 7->9
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I/Sigma = 23.43   Thresh = 0.020   Blend = F   #Contributing = 14   InitialProfileWt = 0.154
Region 8
Sum = 7346;   Maximum = 165.575;   FM = 0.974
!Region 8: Section 1->3
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I/Sigma = 12.58   Thresh = 0.020   Blend = F   #Contributing = 3   InitialProfileWt = 0.670
Region 9
Sum = 1613.09;   Maximum = 34.7372;   FM = 0.968
!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)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (171 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:  0.7107300,  0.0000089
 
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)       171         0       171    5.8900    0.9056     6.918    46.208
 
Orientation ('UB') matrix:
  -0.0677713   0.0345196  -0.0293132
  -0.0154711  -0.0543957  -0.0303650
  -0.0660361  -0.0226828   0.0282084
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5081   14.6411   19.8470    90.000    97.005    90.000       3030.67
    0.0045    0.0095    0.0096     0.000     0.008     0.000          4.58
Corrected for goodness of fit:
    0.0055    0.0117    0.0117     0.000     0.009     0.000          5.60
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.663      49.873     -64.257
Goniometer zeros (deg):          0.0000*    -0.1382      0.0000*     0.0316    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -9.6917  -0.2758   0.0000   0.1229   0.5667   0.4147
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         7.89138e+02   7.36853e+02    1.22       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 171             171             166
 Average input ESD (pix, pix, deg):          0.09734         0.09647         0.05434
 Goodness of fit:                            1.79935         0.59701         0.85821
 
 
Old XYZ spot size:              0.437   0.454   0.373
New XYZ spot size:              0.497   0.507   0.349
Average missing volume:         0.008
% with too much missing I:      0.712
Fractional overlap in H,K,L:    0.000   0.000   0.000
 
End of pass 6.  Repeating shape determination...
 
Repeat orientation and spot-shape refinement ============= 06/23/2013 12:01:16
 
Current XYZ spot size:            0.497   0.507   0.349
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.094   0.095   0.136
Profile convolver halfwidth:       1.72    1.70    2.63
Background pixels updated = 98.04%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   14 0.00 0.00 0.77 1.002
    1_0002    2 -0.27 -0.01 -0.08  0.28  0.04  0.11 508.41  15    0  0.94   13 1.29 1.02 0.77 1.002
    2_0003   13 -0.31 -0.02 -0.12  0.52  0.58  0.40 171.01   3   69  0.62   19 1.31 1.11 0.77 1.002
    3_0004   16 -0.11 -0.07 -0.13  0.56  0.19  0.25 52.559   2   44  0.75   20 1.31 1.11 0.75 1.002
    4_0005   15 -0.25  0.04  0.03  0.49  0.26  0.30 85.075   3   53  0.72   16 1.33 1.10 0.75 1.002
    5_0006   15 -0.27  0.05 -0.08  0.51  0.20  0.30 449.38   9   40  0.79   21 1.32 1.12 0.75 1.002
    6_0007   17 -0.20 -0.05 -0.09  0.34  0.19  0.34 70.629   3   41  0.83   21 1.32 1.09 0.65 1.002
    7_0008   22 -0.30 -0.06 -0.10  0.43  0.40  0.31 72.503   3   45  0.77   17 1.32 1.09 0.64 1.002
    8_0009   15 -0.15 -0.05 -0.08  0.31  0.24  0.29 443.02   8   67  0.73   19 1.35 1.09 0.64 1.002
    9_0010   22 -0.20 -0.03 -0.10  0.39  0.23  0.24 253.62   6   32  0.84   18 1.36 1.13 0.62 1.002
   10_0011   14 -0.27  0.09 -0.18  0.40  0.28  0.29 102.31   4   50  0.75   21 1.33 1.08 0.58 1.002
   11_0012   17 -0.24 -0.10 -0.07  0.63  0.48  0.27 184.01   5   47  0.74   16 1.33 1.09 0.57 1.002
   12_0013   13 -0.37 -0.24 -0.10  0.46  0.41  0.38 193.83   7   31  0.81   20 1.34 1.09 0.56 1.002
   13_0014   10 -0.18 -0.10 -0.16  0.29  0.26  0.40 76.015   3   30  0.84   19 1.34 1.09 0.54 1.002
   14_0015   21 -0.04 -0.03 -0.12  0.37  0.25  0.28 882.83   9   38  0.77   20 1.34 1.10 0.54 1.002
   15_0016   20 -0.21 -0.11 -0.06  0.29  0.23  0.28 91.219   3   50  0.78   18 1.32 1.08 0.51 1.002
   16_0017   18 -0.29 -0.05 -0.16  0.40  0.42  0.33 348.04   7   39  0.81   20 1.33 1.08 0.51 1.002
   17_0018   19 -0.16 -0.06 -0.09  0.46  0.25  0.28 160.06   6   26  0.86   21 1.32 1.07 0.49 1.002
   18_0019   15 -0.20 -0.01 -0.10  0.38  0.12  0.34 184.18   6   33  0.80   19 1.31 1.07 0.48 1.002
   19_0020   15 -0.16  0.12 -0.05  0.30  0.29  0.21 80.008   3   47  0.76   16 1.31 1.06 0.48 1.002
Background pixels updated = 98.18%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   19 -0.15  0.00  0.07  0.31  0.32  0.34 97.220   3   53  0.75   21 1.30 1.05 0.48 1.002
   21_0022    9 -0.01 -0.03 -0.16  0.35  0.35  0.36 50.035   2   67  0.73   18 1.30 1.05 0.48 1.002
   22_0023   19 -0.21  0.01 -0.14  0.39  0.21  0.30 46.676   3   37  0.82   21 1.30 1.05 0.48 1.002
   23_0024   25 -0.20 -0.06 -0.06  0.36  0.39  0.21 143.62   5   48  0.76   20 1.30 1.04 0.48 1.002
   24_0025   12 -0.13 -0.03 -0.20  0.18  0.24  0.32 79.862   3   42  0.77   16 1.30 1.04 0.46 1.002
   25_0026   15 -0.13 -0.00 -0.10  0.35  0.16  0.27 377.08   7   33  0.80   17 1.30 1.05 0.46 1.002
   26_0027   19 -0.13  0.04 -0.10  0.43  0.43  0.23 217.12   5   42  0.79   19 1.31 1.06 0.46 1.002
   27_0028   18  0.01 -0.10 -0.11  0.55  0.29  0.31 92.707   3   50  0.71   19 1.31 1.06 0.45 1.002
   28_0029   17 -0.03  0.00 -0.16  0.20  0.25  0.26 506.50  10   29  0.86   19 1.31 1.07 0.44 1.002
   29_0030   14 -0.20  0.10 -0.03  0.51  0.31  0.31 74.465   3   50  0.71   16 1.31 1.06 0.44 1.002
   30_0031   19 -0.09 -0.07 -0.05  0.26  0.23  0.20 116.00   4   26  0.85   17 1.31 1.06 0.44 1.002
   31_0032   15 -0.16  0.16 -0.07  0.37  0.43  0.38 40.476   2   60  0.68   19 1.31 1.06 0.43 1.002
   32_0033   14 -0.11  0.04 -0.06  0.26  0.50  0.36 202.66   5   43  0.78   18 1.31 1.06 0.44 1.002
   33_0034   23 -0.06 -0.01 -0.06  0.34  0.17  0.28 244.71   5   43  0.75   19 1.31 1.0 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.647      49.848     -64.265
Goniometer zeros (deg):          0.0000*    -0.1609      0.0000*     0.0276    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -9.6630  -0.2357   0.0005   0.1234   0.5585   0.4170
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         8.45549e+02   7.59817e+02    1.22       3         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 177             177             174
 Average input ESD (pix, pix, deg):          0.09968         0.09816         0.05061
 Goodness of fit:                            1.86865         0.61751         0.65331
 
BG snapshot written to /home/isengard/data/kla0410/work/bg_snap_03_0001.sfrm
 
I/Sigma = 27.22   Thresh = 0.020   Blend = F   #Contributing = 107   InitialProfileWt = 0.000
Region 1
Sum = 9647.99;   Maximum = 220.08;   FM = 0.981
!Region 1: Section 1->3
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!Region 1: Section 7->9
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.049;   Maximum = 0.0248968;   FM = 0.977
!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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.04776;   Maximum = 0.0236759;   FM = 0.984
!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 = 22.81   Thresh = 0.020   Blend = F   #Contributing = 31   InitialProfileWt = 0.016
Region 4
Sum = 6890.83;   Maximum = 155.09;   FM = 0.982
!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 = 48.72   Thresh = 0.020   Blend = F   #Contributing = 81   InitialProfileWt = 0.000
Region 5
Sum = 27385;   Maximum = 631.363;   FM = 0.975
!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 = 71.83   Thresh = 0.020   Blend = F   #Contributing = 31   InitialProfileWt = 0.021
Region 6
Sum = 73289.4;   Maximum = 1822.42;   FM = 0.982
!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 = 47.77   Thresh = 0.020   Blend = F   #    3 13 36 63 71 48 19  5  1
  5 22 47 62 53 30 11  3  1    4 19 45 66 64 39 15  4  1    2 10 25 41 43 29 12  3  1
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!Region 4: Section 7->9
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I/Sigma = 46.43   Thresh = 0.020   Blend = F   #Contributing = 123   InitialProfileWt = 0.000
Region 5
Sum = 23212.4;   Maximum = 515.677;   FM = 0.965
!Region 5: Section 1->3
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!Region 5: Section 4->6
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I/Sigma = 77.42   Thresh = 0.020   Blend = F   #Contributing = 58   InitialProfileWt = 0.001
Region 6
Sum = 75982.2;   Maximum = 1658.89;   FM = 0.982
!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 = 34.12   Thresh = 0.020   Blend = F   #Contributing = 112   InitialProfileWt = 0.000
Region 7
Sum = 16271.4;   Maximum = 382.607;   FM = 0.97
!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 = 23.57   Thresh = 0.020   Blend = F   #Contributing = 44   InitialProfileWt = 0.004
Region 8
Sum = 6915.81;   Maximum = 166.471;   FM = 0.974
!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 = 15.22   Thresh = 0.020   Blend = F   #Contributing = 6   InitialProfileWt = 0.449
Region 9
Sum = 2770.12;   Maximum = 66.4295;   FM = 0.974
!Region 9: Section 1->3
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!Region 9: Section 7->9
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Background pixels updated = 97.93%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  200_0201   17  0.07 -0.08 -0.06  0.39  0.46  0.20 131.99   5   59  0.75   17 1.31 1.00 0.34 1.002
  201_0202   17  0.02 -0.11 -0.01  0.16  0.23  0.16 108.29   7   29  0.87   21 1.31 1.00 0.34 1.002
  202_0203   12 -0.09 -0.13  0.02  0.21  0.34  0.14 222.55   8   33  0.83   21 1.31 1.00 0.34 1.002
  203_0204   18  0.07 -0.15 -0.05  0.24  0.32  0.16 65.144   3   56  0.76   17 1.31 1.00 0.34 1.002
  204_0205   12 -0.07 -0.20 -0.16  0.42  0.43  0.36 38.504   2   50  0.73   22 1.31 1.00 0.34 1.002
  205_0206   13  0.18 -0.11 -0.05  0.37  0.19  0.18 84.071   5   31  0.87   17 1.31 1.00 0.34 1.002
  206_0207    9 -0.07 -0.24 -0.12  0.37  0.36  0.23 126.31   6   33  0.86   20 1.31 1.00 0.34 1.002
  207_0208   16  0.05 -0.19  0.11  0.26  0.34  0.21 194.00   7   44  0.78   19 1.31 1.01 0.34 1.002
  208_0209   25  0.24 -0.24 -0.03  0.67  0.42  0.20 22.998   2   64  0.64   19 1.31 1.01 0.35 1.002
  209_0210   19 -0.03 -0.04 -0.07  0.39  0.32  0.25 34.219   2   68  0.71   18 1.31 1.00 0.35 1.002
  210_0211   22 -0.06 -0.10 -0.02  0.43  0.40  0.30 126.63   7   45  0.75   22 1.31 1.01 0.35 1.002
  211_0212   18  0.09 -0.02 -0.03  0.31  0.22  0.21 48.319   3   44  0.80   18 1.31 1.00 0.34 1.002
  212_0213   16 -0.03  0.06 -0.05  0.26  0.43  0.12 177.11   6   50  0.80   18 1.31 1.01 0.34 1.002
  213_0214   14  0.08 -0.08 -0.04  0.26  0.20  0.24 90.252   6   21  0.86   25 1.31 1.01 0.35 1.002
  214_0215   14  0.14 -0.13 -0.09  0.44  0.35  0.37 36.278   2   57  0.73   22 1.31 1.01 0.34 1.002
  215_0216   19 -0.01 -0.05 -0.06  0.29  0.25  0.16 357.91  10   47  0.84   19 1.31 1.01 0.34 1.002
  216_0217   11  0.13 -0.09 -0.12  0.25  0.38  0.23 29.905   2   73  0.69   15 1.31 1.01 0.35 1.002
  217_0218   17  0.02 -0.10 -0.12  0.31  0.36  0.22 130.88   6   41  0.84   17 1.31 1.01 0.35 1.002
  218_0219   16  0.10 -0.11 -0.02  0.40  0.27  0.24 159.81   8   31  0.81   22 1.31 1.01 0.35 1.002
  219_0220   21 -0.04 -0.05 -0.17  0.31  0.21  0.29 101.85   5   43  0.78   17 1.31 1.01 0.35 1.002
Background pixels updated = 98.16%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
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Region 6
Sum = 50673.6;   Maximum = 1131.78;   FM = 0.981
!Region 6: Section 1->3
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I/Sigma = 40.86   Thresh = 0.020   Blend = F   #Contributing = 201   InitialProfileWt = 0.000
Region 7
Sum = 21140.2;   Maximum = 472.399;   FM = 0.977
!Region 7: Section 1->3
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I/Sigma = 24.93   Thresh = 0.020   Blend = F   #Contributing = 84   InitialProfileWt = 0.000
Region 8
Sum = 8010.84;   Maximum = 179.95;   FM = 0.975
!Region 8: Section 1->3
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  2 10 30 59 75 61 31 10  2    2 11 33 71100 88 48 16  3    1  7 22 50 77 73 42 14  2
  1  6 17 36 50 43 23  8  1    1  6 20 47 71 66 38 13  2    1  4 14 36 58 58 35 13  2
  1  2  7 14 20 18 10  4  1    1  3  8 19 30 29 18  7  2    1  2  6 16 26 27 18  8  2
  0  1  2  4  5  5  3  2  0    0  1  3  5  8  8  6  3  1    0  1  2  5  7  8  6  4  1
  0  0  1  1  1  1  1  0  0    0  0  1  1  2  2  2  1  0    0  0  1  1  1  2  2  1  0
!Region 8: Section 7->9
  0  0  0  1  1  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  1  2  3  2  1  1  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  1  3  7 10  9  5  2  0    0  0  0  1  1  1  1  0  0    0  0  0  0  0  0  0  0  0
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  0  0  0  0  1  1  1  1  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 15.22   Thresh = 0.020   Blend = F   #Contributing = 6   InitialProfileWt = 0.449
Region 9
Sum = 2770.12;   Maximum = 66.4295;   FM = 0.974
!Region 9: Section 1->3
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!Region 9: Section 4->6
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!Region 9: Section 7->9
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Background pixels updated = 98.01%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  400_0401   19 -0.16  0.08 -0.14  0.26  0.20  0.20 164.38   7   32  0.89   16 1.33 1.00 0.35 1.002
  401_0402   15 -0.14 -0.03 -0.07  0.34  0.28  0.21 204.11   9   33  0.82   19 1.33 1.00 0.35 1.002
  402_0403   16 -0.20  0.13 -0.04  0.36  0.33  0.22 100.51   5   38  0.82   23 1.33 1.00 0.35 1.002
  403_0404   19 -0.11 -0.00 -0.09  0.43  0.34  0.23 42.592   3   42  0.77   19 1.33 1.00 0.35 1.002
  404_0405   13 -0.20  0.01 -0.09  0.32  0.27  0.31 62.121   3   38  0.79   17 1.33 1.00 0.35 1.002
  405_0406   23  0.04  0.00  0.01  0.42  0.35  0.20 223.71   8   57  0.72   21 1.33 1.00 0.35 1.002
  406_0407   13 -0.12 -0.04 -0.14  0.36  0.30  0.24 303.33  10   46  0.72   19 1.33 1.01 0.35 1.002
  407_0408   18 -0.12  0.10 -0.01  0.33  0.36  0.19 44.105   3   44  0.75   21 1.33 1.01 0.35 1.002
  408_0409   20  0.00  0.12 -0.06  0.40  0.43  0.26 82.313   4   65  0.60   20 1.33 1.01 0.35 1.002
  409_0410   15 -0.08  0.09 -0.01  0.42  0.39  0.22 170.36   9   67  0.71   20 1.33 1.01 0.35 1.002
  410_0411   23  0.04  0.00  0.03  0.39  0.48  0.23 111.37   5   48  0.73   20 1.33 1.00 0.35 1.002
  411_0412   10 -0.19 -0.06 -0.04  0.50  0.46  0.23 90.788   4   30  0.85   21 1.33 1.00 0.35 1.002
  412_0413   17  0.01  0.09 -0.02  0.37  0.34  0.31 112.64   5   53  0.71   19 1.33 1.01 0.35 1.002
  413_0414   17  0.17  0.05 -0.05  0.36  0.39  0.28 66.507   4   53  0.71   19 1.33 1.01 0.35 1.002
  414_0415   16 -0.03 -0.01 -0.07  0.30  0.17  0.17 106.85   6   38  0.83   19 1.33 1.01 0.35 1.002
  415_0416   15 -0.05 -0.00  0.04  0.53  0.30  0.22 36.051   2   53  0.72   21 1.33 1.01 0.35 1.002
  416_0417   16 -0.04 -0.11 -0.02  0.35  0.33  0.22 149.22   5   38  0.80   17 1.33 1.01 0.34 1.002
  417_0418   15  0.03 -0.06 -0.03  0.53  0.38  0.17 49.808   3   67  0.74   18 1.33 1.01 0.35 1.002
  418_0419   16 -0.18  0.11 -0.14  0.38  0.22  0.20 109.75   5   38  0.87   18 1.33 1.01 0.35 1.002
  419_0420   20 -0.04 -0.08  0.09  0.37  0.42  0.30 50.864   3   55  0.73   22 1.33 1.00 0.35 1.002
Background pixels updated = 98.20%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  420_0421   20 -0.13  0.12 -0.12  0.30  0.29  0.23 158.64   6   30  0.83   20 1.33 1.01 0.35 1.002
  421_0422   18 -0.05 -0.05 -0.06  0.37  0.38  0.19 113.41   4   39  0.78   17 1.33 1.01 0.35 1.002
  422_0423   20 -0.06  0.05 -0.06  0.38  0.29  0.16 145.98   5   35  0.82   17 1.33 1.01 0.35 1.002
  423_0424   15 -0.17  0.05 -0.01  0.29  0.26  0.24 102.03   5   33  0.84   20 1.33 1.01 0.35 1.002
  424_0425   15 -0.23  0.04 -0.11  0.36  0.28  0.22 210.47   9   40  0.81   24 1.33 1.01 0.35 1.002
  425_0426   17 -0.26  0.19 -0.03  0.61  0.59  0.30 45.107   4   65  0.64   22 1.33 1.01 0.34 1.002
  426_0427   17 -0.30  0.13 -0.10  0.40  0.24  0.16 312.29  10   29  0.86   18 1.33 1.01 0.34 1.002
  427_0428   14 -0.14  0.07 -0.11  0.28  0.41  0.19 117.03   6   29  0.85   21 1.33 1.01 0.34 1.002
  428_0429   16 -0.17 -0.08 -0.13  0.39  0.21  0.22 47.987   3   56  0.78   18 1.33 1.01 0.34 1.002
  429_0430    8  0.05  0.03  0.04  0.34  0.44  0.32 27.793   2   75  0.66   20 1.33 1.01 0.34 1.002
  430_0431   27 -0.09 -0.07 -0.03  0.30  0.38  0.16 99.056   4   44  0.76   19 1.33 1.01 0.34 1.002
  431_0432   21 -0.14 -0.01 -0.05  0.31  0.39  0.19 212.24   7   43  0.79   18 1.33 1.01 0.34 1.002
  432_0433   20 -0.02 -0.04 -0.06  0.27  0.32  0.20 82.388   4   30  0.82   18 1.33 1.01 0.34 1.002
  433_0434   19 -0.08  0.16 -0.07  0.52  0.33  0.18 112.55   5   53  0.78   18 1.33 1.01 0.34 1.002
  434_0435   14 -0.04  0.08 -0.08  0.36  0.29  0.19 67.233   3   50  0.78   18 1.33 1.01 0.34 1.002
  435_0436   15 -0.08  0.01  0.00  0.27  0.22  0.38 54.787   3   27  0.85   21 1.33 1.01 0.34 1.002
  436_0437   18 -0.15  0.05 -0.16  0.26  0.25  0.28 61.831   4   33  0.81   19 1.33 1.01 0.34 1.002
  437_0438   15 -0.16 -0.05 -0.01  0.44  0.31  0.18 56.869   3   40  0.79   18 1.33 1.01 0.34 1.002
  438_0439   12 -0.12 -0.12 -0.09  0.20  0.31  0.12 93.891   5    8  0.93   18 1.33 1.01 0.34 1.002
  439_0440   13 -0.14  0.01 -0.02  0.45  0.26  0.20 34.275   2   54  0.71   16 1.33 1.01 0.34 1.002
Background pixels updated = 98.09%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  440_0441   13 -0.31 -0.06 -0.08  0.38  0.43  0.13 353.48  15   46  0.76   24 1.33 1.01 0.34 1.002
  441_0442   26 -0.19 -0.01 -0.13  0.34  0.26  0.28 106.31   5   54  0.79   20 1.33 1.01 0.34 1.002
  442_0443   14 -0.21  0.14 -0.06  0.29  0.27  0.10 44.642   3   57  0.77   20 1.33 1.01 0.34 1.002
  443_0444   19 -0.10 -0.03 -0.07  0.33  0.30  0.26 276.23   7   53  0.75   19 1.33 1.01 0.34 1.002
  444_0445   22 -0.04 -0.08 -0.09  0.31  0.30  0.14 85.610   4   41  0.81   22 1.33 1.01 0.34 1.002
  445_0446   18 -0.10  0.02  0.00  0.33  0.35  0.22 84.934   4   39  0.79   18 1.33 1.01 0.34 1.002
  446_0447   17 -0.06  0.03 -0.10  0.46  0.29  0.20 81.467   4   47  0.83   17 1.33 1.01 0.34 1.002
  447_0448   17 -0.03  0.10 -0.02  0.39  0.28  0.25 123.61   6   29  0.78   20 1.33 1.01 0.34 1.002
  448_0449   12 -0.02 -0.10 -0.19  0.37  0.30  0.24 56.473   4   50  0.76   22 1.33 1.01 0.34 1.002
  449_0450   24 -0.27 -0.04 -0.06  0.47  0.24  0.31 99.348   5   38  0.81   21 1.33 1.01 0.34 1.002
 
................
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 (258 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:  0.7107300,  0.0000089
 
Component number= 264.276;   FM = 0.984
!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  1  1  1  1  1  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  1  1  1  1  0  0  0
!Region 1: Section 4->6
  0  1  1  2  3  2  2  1  0    0  1  2  3  3  3  2  1  0    0  1  1  2  2  2  2  1  0
  1  3  6 10 12 10  6  2  1    1  3  6 11 15 13  8  4  1    0  2  4  7 10 10  7  3  1
  1  6 14 26 33 28 15  6  1    1  6 16 30 41 36 21  8  2    1  4 10 20 29 28 17  7  2
  2 10 28 53 67 54 28 10  2    2 11 30 60 82 71 40 14  3    1  6 18 40 58 54 33 13  3
  3 13 35 65 81 64 32 11  2    3 13 38 75100 84 46 16  3    2  8 23 49 71 65 38 14  3
  3 11 29 54 65 49 24  8  2    3 11 32 62 79 65 34 12  2    1  7 19 40 56 50 29 11  2
  2  7 16 28 32 24 12  4  1    2  7 17 32 39 31 17  6  1    1  4 11 21 28 24 14  6  1
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!Region 1: Section 7->9
  0  0  0  1  1  1  1  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  1  1  1  1  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 = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 2
Sum = 1.04899;   Maximum = 0.0242851;   FM = 0.988
!Region 2: Section 1->3
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!Region 2: Section 4->6
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  3 15 38 62 72 56 26  8  1    3 16 43 79100 82 40 12  2    2 10 28 53 72 61 31 10  2
  2 12 30 48 55 43 21  6  1    2 12 34 61 77 63 31 10  2    1  7 21 41 55 48 25  8  2
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!Region 2: Section 7->9
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  0  2  5  8 10  9  5  2  0    0  0  0  0  1  1  1  0  0    0  0  0  0  0  0  0  0  0
  0  3  8 16 22 20 11  4  1    0  0  0  1  1  2  1  1  0    0  0  0  0  0  0  0  0  0
  0  3 10 20 29 26 14  5  1    0  0  0  1  2  2  2  1  0    0  0  0  0  0  0  0  0  0
  0  2  7 16 23 21 11  4  1    0  0  0  1  2  2  1  1  0    0  0  0  0  0  0  0  0  0
  0  1  4  8 11 10  6  2  1    0  0  0  1  1  1  1  1  0    0  0  0  0  0  0  0  0  0
  0  1  2  3  4  3  2  1  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
  0  0  1  1  1  1  1  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 11.85   Thresh = 0.020   Blend = F   #Contributing = 3   InitialProfileWt = 0.670
Region 3
Sum = 1363.98;   Maximum = 31.2093;   FM = 0.98
!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  1  1  1  0  0  0  0
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!Region 3: Section 4->6
  0  1  1  2  1  1  1  0  0    0  1  1  2  2  2  1  1  0    0  1  1  1  2  1  1  1  0
  0  2  4  6  7  6  3  1  0    0  2  4  7 10  9  5  2  1    0  2  3  5  7  7  4  2  1
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  2 10 26 46 60 50 25  8  1    2 11 29 55 77 68 34 11  2    1  6 17 35 53 49 26  9  2
  3 17 41 67 79 62 30  9  2    3 16 43 78100 83 41 13  2    1  9 25 48 67 59 30 10  2
  3 16 38 59 62 46 22  7  2    3 15 39 66 77 60 29 10  2    1  8 22 40 51 42 21  7  1
  2  9 22 32 31 21 10  4  1    2  9 22 35 37 27 13  5  1    1  5 12 21 24 19  9  4  1
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  0  1  2  3  2  2  1  1  0    0  1  2  3  3  2  1  0  0    0  1  1  2  2  1  1  0  0
!Region 3: Section 7->9
  0  0  0  1  1  1  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  1  1  1  0  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 22.29   Thresh = 0.020   Blend = F   #Contributing = 136   InitialProfileWt = 0.000
Region 4
Sum = 6520.02;   Maximum = 152.396;   FM = 0.971
!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  1  1  0  0  0
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!Region 4: Section 4->6
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  0  1  2  4  6  7  5  2  1    0  1  3  6  9 10  8  4  1    0  1  2  4  7  8  7  4  1
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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 = 55.70   Thresh = 0.020   Blend = F   #Contributing = 294   InitialProfileWt = 0.000
Region 5
Sum = 44129.1;   Maximum = 1010.96;   FM = 0.946
!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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  0  0  0  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 = 55.34   Thresh = 0.020   Blend = F   #Contributing = 176   InitialProfileWt = 0.000
Region 6
Sum = 43106.7;   Maximum = 961.187;   FM = 0.961
!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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  0  0  0  1  1  1  1  0  0    0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0
 
I/Sigma = 52.07   Thresh = 0.020   Blend = F   #Contributing = 283   InitialProfileWt = 0.000
Region 7
Sum = 29626.1;   Maximum = 711.23;   FM = 0.944
!Region 7: Section 1->3
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!Region 7: Section 4->6
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  1  3 10 21 30 27 15  5  1    1  3  9 21 32 30 18  7  1    0  2  5 12 19 19 12  5  7.330   1.11    1.86 0.346 -0.013  0.4 0.000 0.761  0.00 .06 .00-.02 .45 .40 .31
     0.600    521    140    486    439 92.5    10.971   1.43    1.86 0.262  0.005  0.4 0.000 0.552  0.00-.02-.05-.03 .42 .36 .28
     0.700    541    153    508    453 79.9    15.459   1.76    1.87 0.220 -0.006  0.4 0.000 0.451  0.00-.02-.03-.04 .38 .35 .25
     0.800   1120    280    947    944 37.6    27.569   2.44    1.87 0.144 -0.000  0.3 0.000 0.260  0.00-.01-.03-.03 .32 .29 .21
     0.900   4670    641   2804   4130  1.3   244.010  12.35    1.96 0.042  0.001  0.5 0.000 0.092  0.00-.02-.02-.01 .24 .17 .14
     1.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.raw)
   Missing      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000  10014   1396   5808   8427 45.5   118.811   9.08    1.91 0.051  0.000  0.4 0.000 0.123  0.00-.01-.02-.02 .38 .33 .23
     0.050      2      1      2      1100.0     3.365   0.70    1.73 0.085 -0.065  0.1 0.000 0.171  0.00-.16-.77-.12 .31 .90 .12
     0.100     13      4     13      7 30.8    85.528   6.58    1.67 0.050  0.020  0.5 0.000 0.067  0.00-.17 .06-.05 .35 .32 .21
     0.150      7      0      7      6 28.6    46.967   4.61    1.71 0.077 -0.064  0.4 0.000 0.000  0.00 .04 .05 .07 .37 .41 .18
     0.200      2      0      2      1100.0    -1.268  -0.19    1.57 0.556 -1.984  0.8 0.000 0.000  0.00 .07-.12-.69 .70 .95 .77
     0.250      0      0      0      0  0.0     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
     0.350      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.400      0      0      0      0  0.0     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
     0.500      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
     0.550      0      0      0      0  0.0     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      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.650      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.700      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
     0.750      0      0      0      0  0.0     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
     0.850      0      0      0      0  0.0     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
     0.950      0      0      0      0  0.0     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 kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.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    577    132    566    474 44.0   111.738   8.71    1.90 0.060 -0.007  0.4 0.000 0.121  0.00-.00-.02-.03 .38 .32 .22
     0.050    410    121    401    326 44.9    91.127   7.62    1.90 0.055 -0.000  0.4 0.000 0.164  0.00-.00-.01-.00 .37 .33 .21
     0.100    447    107    440    368 49.0   101.533   8.42    1.90 0.050 -0.002  0.4 0.000 0.162  0.00-.02-.03 .01 .40 .34 .23
     0.150    424    145    419    377 49.1   107.292   8.82    1.90 0.049 -0.000  0.4 0.000 0.114  0.00-.00-.01 .01 .41 .35 .24
     0.200    444    116    434    370 50.7   100.735   8.33    1.90 0.054 -0.005  0.4 0.000 0.109  0.00 .02-.01 .00 .41 .34 .25
     0.250    584    152    566    480 47.3   107.776   8.37    1.91 0.049  0.003  0.4 0.000 0.116  0.00-.02-.04 .01 .39 .34 .25
     0.300    529    158    517    453 39.9   145.758  10.03    1.92 0.051  0.006  0.4 0.000 0.153  0.00 .01-.05-.01 .36 .32 .26
     0.350    612    167    596    536 40.5   116.275   8.24    1.92 0.054 -0.004  0.4 0.000 0.148  0.00-.01-.04-.04 .38 .31 .26
     0.400    498    159    491    416 43.8   176.514  12.62    1.91 0.048  0.001  0.4 0.000 0.113  0.00-.02-.04-.03 .35 .32 .26
     0.450    447    117    437    378 39.8   163.290  11.56    1.93 0.042 -0.001  0.4 0.000 0.085  0.00-.04-.02-.04 .35 .29 .23
     0.500    543    132    527    461 42.4   149.494  10.53    1.92 0.046  0.004  0.4 0.000 0.109  0.00-.04-.01 .00 .34 .28 .22
     0.550    413    120    397    351 41.9   110.928   8.16    1.90 0.056  0.011  0.4 0.000 0.119  0.00-.01-.02 .01 .38 .31 .22
     0.600    487    122    477    389 46.0   137.497  10.18    1.90 0.049  0.013  0.4 0.000 0.211  0.00-.03-.01-.01 .35 .32 .23
     0.650    551    165    541    459 44.3   123.611   9.12    1.90 0.054  0.005  0.4 0.000 0.119  0.00-.00-.03-.02 .39 .30 .25
     0.700    533    132    521    455 46.3    85.645   6.73    1.90 0.058 -0.006  0.4 0.000 0.150  0.00-.05-.00-.04 .37 .33 .23
     0.750    649    161    629    558 49.2   108.176   8.43    1.90 0.055 -0.004  0.4 0.000 0.191  0.00-.06-.02-.05 .40 .33 .23
     0.800    464    131    453    390 46.3   103.217   8.14    1.90 0.061 -0.011  0.5 0.000 0.110  0.00-.02-.05-.04 .39 .32 .22
     0.850    527    130    516    447 50.3    97.992   8.03    1.90 0.050 -0.007  0.4 0.000 0.118  0.00-.01 .01-.03 .40 .37 .22
     0.900    463    144    457    394 47.5   117.863   9.52    1.90 0.047 -0.005  0.4 0.000 0.148  0.00 .01-.04-.02 .40 .36 .21
     0.950    436    106    426    360 47.2   113.888   9.07    1.90 0.048  0.001  0.4 0.000 0.122  0.00 .01-.00-.02 .38 .37 .21
     1.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.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
   100.295   1207    300   1029   1132 83.4     9.066   1.33    1.93 0.247 -0.058  0.4 0.000 0.499  0.00-.02-.02-.03 .51 .42 .24
   200.590   6139   1091   4244   5101 53.4    34.005   3.04    1.88 0.105 -0.005  0.3 0.000 0.225  0.00-.00-.02-.03 .39 .35 .26
   401.180   1775    298   1431   1427 15.0   146.638   8.58    1.92 0.046  0.003  0.4 0.000 0.101  0.00-.02-.03-.00 .27 .24 .17
   802.359    523     63    395    446  2.7   414.180  17.92    1.98 0.033  0.001  0.6 0.000 0.067  0.00-.08-.02 .03 .25 .14 .16
  1604.719    219     20    167    188  0.0   815.248  28.53    2.06 0.031 -0.002  0.9 0.000 0.064  0.00-.10-.02 .03 .27 .12 .16
  3209.438    109     12     87     95  0.0  1346.967  41.44    2.08 0.035  0.004  1.4 0.000 0.067  0.00-.08-.02 .03 .28 .11 .17
  6418.875     38      2     31     33  0.0  2011.548  59.21    2.23 0.034 -0.000  2.1 0.000 0.026  0.00-.12-.03 .08 .31 .10 .19
 12837.750     19      1     15     14  0.0  2980.538  82.52    2.25 0.025  0.002  2.2 0.000 0.020  0.00-.13-.01 .04 .31 .08 .20
 25675.500      9      2      7      6  0.0  4021.133 121.48    2.32 0.057  0.002  5.6 0.000 0.049  0.00-.15-.02 .11 .29 .08 .15
 51351.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.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
     0.250      0      0      0      0  0.0     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      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     0.751      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.001      0      0      0      0  0.0     0.000   0.00    0.00 0.000  0.000  0.0 0.000 0.000  0.00 .00 .00 .00 .00 .00 .00
     1.251      1      0      1      1100.0    -1.307  -0.20    1.49 0.706 -0.706  0.1 0.000 0.000  0.00 .13 .30-.31 .13 .30 .31
     1.501    585    124    523    434 61.2    28.698   3.26    1.71 0.125  0.010  0.4 0.000 0.190  0.00-.01-.02-.03 .42 .40 .30
     1.751   7604   1249   4824   6298 50.6    62.459   5.20    1.88 0.075  0.001  0.4 0.000 0.154  0.00-.01-.02-.02 .40 .34 .24
     2.002   1739    182   1146   1625 20.1   319.937  17.17    2.05 0.036 -0.001  0.5 0.000 0.075  0.00-.05-.04-.00 .29 .22 .17
     2.252    109      5     74     84 10.1  1313.007  59.26    2.35 0.029 -0.001  1.4 0.000 0.034  0.00-.08-.00 .04 .34 .12 .22
     2.502
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.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     17      8     17     14100.0 -0.247024  -0.04    1.85 0.612 -8.253  0.5 0.000 1.706  0.00-1.6 .12-.22 1.6 .84 .42
    -1.380     25     10     25     23100.0     1.715   0.31    1.87 0.438 -0.411  0.2 0.000 0.992  0.00-1.3 .07-.06 1.3 .54 .32
    -1.260     14      8     14     13100.0 0.2615643   0.05    1.89 0.493 -5.740  0.4 0.000 1.614  0.00-1.2 .03-.13 1.2 .32 .23
    -1.140     29     11     29     23 96.6     3.215   0.56    1.89 0.346 -0.239  0.3 0.000 0.706  0.00-1.1-.05-.05 1.1 .42 .26
    -1.020     71     31     71     57 95.8     3.134   0.52    1.86 0.388 -0.047  0.4 0.000 1.016  0.00-.96-.08-.06 .96 .46 .30
    -0.900     93     23     93     69 93.5     4.722   0.75    1.87 0.368 -0.043  0.4 0.000 1.055  0.00-.84 .00-.05 .84 .48 .29
    -0.780    168     46    167    137 89.9    11.071   1.63    1.85 0.181  0.002  0.4 0.000 0.847  0.00-.72 .03-.08 .72 .45 .33
    -0.660    289     93    283    238 77.5    19.974   2.56    1.87 0.152  0.020  0.4 0.000 0.490  0.00-.59 .01-.08 .59 .42 .28
    -0.540    443     98    435    365 56.9   155.170  14.49    1.89 0.049 -0.011  0.5 0.000 0.203  0.00-.47 .03-.07 .47 .33 .24
    -0.420    819    135    808    680 40.9   164.760  12.50    1.92 0.044 -0.007  0.5 0.000 0.133  0.00-.36 .01-.05 .36 .28 .23
    -0.300   1153    216   1107    989 38.1   142.381  10.19    1.92 0.047  0.001  0.4 0.000 0.133  0.00-.24-.01-.05 .24 .31 .22
    -0.180   1424    279   1304   1249 31.0   150.274   9.86    1.92 0.046  0.006  0.4 0.000 0.144  0.00-.12-.00-.04 .13 .27 .19
    -0.060   1576    328   1473   1348 31.2   154.541   9.90    1.92 0.046  0.006  0.4 0.000 0.130  0.00-.00-.02-.02 .04 .28 .20
     0.060   1154    337   1094    961 36.4   116.568   8.05    1.91 0.057  0.000  0.4 0.000 0.133  0.00 .12-.05-.00 .12 .31 .21
     0.180    985    360    945    834 39.0   135.609   9.34    1.91 0.053 -0.010  0.4 0.000 0.098  0.00 .24-.05 .02 .24 .31 .23
     0.300    672    295    644    556 49.4    86.038   7.14    1.89 0.053  0.005  0.4 0.000 0.082  0.00 .36-.06 .03 .36 .34 .25
     0.420    393    141    376    309 65.1    47.303   4.69    1.87 0.100  0.001  0.4 0.000 0.154  0.00 .47-.05 .05 .48 .39 .27
     0.540    275     96    273    224 72.4    30.050   3.23    1.86 0.114 -0.017  0.4 0.000 0.163  0.00 .59-.05 .03 .59 .39 .29
     0.660    194     68    189    159 86.6    18.563   2.51    1.86 0.138 -0.038  0.4 0.000 0.175  0.00 .72-.05 .04 .72 .45 .28
     0.780     98     26     97     75 90.8     6.568   0.99    1.86 0.298 -0.070  0.4 0.000 0.462  0.00 .84 .02 .08 .84 .46 .30
     0.900     70     20     68     58 97.1     3.628   0.60    1.87 0.447 -0.214  0.4 0.000 0.962  0.00 .96-.11 .07 .96 .52 .32
     1.020     33     10     33     26100.0     1.522   0.27    1.86 0.754 -0.316  0.5 0.000 1.752  0.00 1.1-.06 .11 1.1 .35 .29
     1.140     13      4     13     11100.0     2.336   0.44    1.88 0.601 -0.446  0.3 0.000 1.095  0.00 1.2-.04 .12 1.2 .40 .34
     1.260     14      5     14     11100.0     1.143   0.23    1.90 0.426 -0.220  0.4 0.000 0.787  0.00 1.3 .14 .04 1.3 .61 .47
     1.380     16      4     16     13100.0     1.998   0.38    1.90 0.478  0.090  0.4 0.000 0.841  0.00 1.7 .04 .16 1.7 .50 .27
     1.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.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     10      5     10      9100.0    -1.828  -0.40    1.88 0.753 -0.883  0.5 0.000 1.667  0.00 .10-1.4-.02 .44 1.4 .33
    -1.380     11      3     11     10100.0 -0.190684  -0.04    1.88 0.793 -0.245  0.4 0.000 3.355  0.00-.05-1.3-.05 .64 1.3 .23
    -1.260     11      3     11      7100.0     1.213   0.25    1.83 0.594 -0.600  0.3 0.000 0.531  0.00 .15-1.2 .06 .52 1.2 .29
    -1.140     25     11     25     18 96.0     2.540   0.50    1.87 0.391 -0.171  0.3 0.000 0.698  0.00 .01-1.1-.02 .49 1.1 .32
    -1.020     41     17     41     30 95.1     3.845   0.70    1.87 0.387 -0.149  0.4 0.000 0.835  0.00-.06-.96-.01 .55 .96 .36
    -0.900     79     29     78     64 91.1     6.057   0.97    1.86 0.290 -0.169  0.4 0.000 0.483  0.00 .13-.84 .03 .46 .84 .30
    -0.780    169     52    167    135 86.4     8.380   1.21    1.86 0.262 -0.048  0.4 0.000 0.399  0.00-.01-.72-.01 .53 .72 .33
    -0.660    218    100    214    188 78.9    16.284   1.94    1.87 0.166 -0.011  0.4 0.000 0.252  0.00 .04-.60 .00 .49 .60 .31
    -0.540    385    147    376    330 69.4    31.218   3.20    1.87 0.101 -0.010  0.4 0.000 0.181  0.00 .04-.47-.02 .47 .48 .26
    -0.420    656    237    632    565 57.5    54.905   4.92    1.88 0.070 -0.007  0.4 0.000 0.173  0.00 .06-.35-.01 .40 .36 .25
    -0.300   1004    320    962    889 45.1    89.628   7.09    1.90 0.056  0.004  0.4 0.000 0.136  0.00 .01-.23-.01 .38 .24 .24
    -0.180   1601    403   1496   1443 29.7   169.954  11.27    1.93 0.046  0.006  0.5 0.000 0.103  0.00-.01-.12-.02 .34 .12 .20
    -0.060   2233    512   1942   1962 25.5   209.506  12.40    1.95 0.043  0.003  0.4 0.000 0.097  0.00-.03 .00-.03 .32 .04 .19
     0.060   1462    296   1393   1223 32.0   161.963  10.77    1.92 0.048 -0.007  0.4 0.000 0.100  0.00-.05 .12-.01 .32 .12 .20
     0.180    869    171    834    643 51.4    61.719   5.33    1.88 0.077 -0.010  0.4 0.000 0.289  0.00-.05 .24-.02 .36 .24 .23
     0.300    521    121    504    397 70.1    22.245   2.44    1.86 0.191 -0.018  0.4 0.000 0.537  0.00-.02 .35-.02 .44 .35 .25
     0.420    304     74    299    214 83.2    11.708   1.59    1.86 0.287 -0.017  0.4 0.000 0.951  0.00 .03 .47 .00 .48 .48 .33
     0.540    163     37    160    117 85.3     7.228   1.09    1.85 0.338 -0.033  0.4 0.000 1.029  0.00-.02 .60-.02 .49 .60 .29
     0.660    134     30    134     92 92.5     4.732   0.77    1.85 0.374 -0.062  0.4 0.000 1.110  0.00-.03 .71 .03 .55 .72 .31
     0.780     58     18     58     45 98.3     3.080   0.52    1.84 0.526 -0.143  0.3 0.000 1.042  0.00 .07 .84-.05 .62 .84 .34
     0.900     27      8     27     20100.0 0.2212166   0.04    1.86 0.757 -6.302  0.6 0.000 1.360  0.00-.20 .96-.15 .53 .96 .36
     1.020     28      5     28     16 96.4     1.069   0.22    1.88 0.720 -0.700  0.3 0.000 1.409  0.00 .17 1.1 .13 .58 1.1 .45
     1.140     11      3     11      8100.0 0.7886282   0.15    1.84 0.463 -0.662  0.3 0.000 0.984  0.00-.48 1.2-.21 .63 1.2 .36
     1.260      7      2      7      6100.0     1.214   0.24    1.91 0.521 -0.400  0.5 0.000 0.785  0.00-.38 1.3-.03 .47 1.3 .20
     1.380     11      4     11     11100.0 -0.509831  -0.10    1.84 0.767 -2.185  0.4 0.000 1.408  0.00-.54 1.5-.06 .91 1.5 .42
     1.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_03.raw)
      ErrZ      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s &
0>080=>,&"1 0?9(! 0>93!0.&0 1>4%87080!92>-30 0>(752'440! 0$  .36.))0#>";602
.35*$_ .&5 .01) ->92( 1  0#-2
82-04- $1 .4;4)39  &1
0>59 '.380  !00'70>19023%1  .$0 0>377&>(*>'. 028."*&N00282# 2$
<>&&1 .#')60=>*")0  0 4 . .$50.77!# !0! +70"->!3-'&40>:70.41#8313' 0>#9$#>!3  .'52
1
 !4_0 27'4 !8 =':!!9>". 6 =' #'  0>'9!10>35!.(+7$>&=<981.45%0 !.%  >>2#  .+?00?#9! .,1<0!!=?>60<4 >&#O>#0 0 1)0#$804 00;8+ =0.3$200.$ 8)0.#158)>-,>?1>31%3.# 50100.58.1'
0\nfion$8*0]fzlmr~3$2%&
< 0 36J3)2)0. !1>=!2?'#->."7.81.>32 .=%  ".35.53>$
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 +6.7 ",94#7cnc`lntqd02
i aj`nv0  (rx}}qtve !<y{4f|y"!(0^/&:dag'$  !j\(syz97$9 8#!7Pbibs9.Doiq038\u|e7%=<`% 1=034-G:0.	Syg-!_0!/St> $Ebd}<!2v^?V'tI"c?221R;<Frzo}9Pbzon;PsN1Yqa9TbZ SmX B}H BqH3  &50'>#> 0.$>1)?03 ";4024! !"J028#+54%>3<0."*4<">321='27!5609?8- >=548 .&+0'-004=340?(0!, ?&!721 .02>.1<>*0$;=6+14;+7)=7(<3
132N0!/#0$  $ &3:'$101?4!
-0-#'0 0> "$ #,;!4 0#'06",052+2>8$1 1!!.-&.;<"%7 '0)'#920?=$1! 1#0#>>7"2 "+#Y(>:5-;%	9.- .,+70>=17.-!&1 90-!%!'0.3804"?6516.357" 1$$38 -!4&%.&=11 "88"2!"-0.>'?<>$' ',>3> 0. %)N0 -%0$ 1;.9$>?10,!>/17;0.260 = 7# < ?!8!"026(3*?5'9&3
10 1 *(003.2" 1##+10<$7$%370 9 3 !."02
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 3
Sum = 1.05856;   Maximum = 0.0295088;   FM = 0.278
!Region 3: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 4
Sum = 1.05856;   Maximum = 0.0295088;   FM = 0.278
!Region 4: Section 1->3
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I/Sigma = 24.13   Thresh = 0.020   Blend = F   #Contributing = 4   InitialProfileWt = 0.586
Region 5
Sum = 4366.24;   Maximum = 121.715;   FM = 0.278
!Region 5: Section 1->3
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I/Sigma = 0.00   Thresh = 0.020   Blend = F   #Contributing = 0   InitialProfileWt = 1.000
Region 9
Sum = 1.05913;   Maximum = 0.0738845;   FM = -0.0472
!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)
Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (70 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:  0.7107300,  0.0000089
 
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)        70         0        70    8.0482    1.0625     5.061    39.078
 
Orientation ('UB') matrix:
  -0.0678218   0.0352612  -0.0292034
  -0.0160482  -0.0545517  -0.0306731
  -0.0665824  -0.0227691   0.0282627
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.4509   14.5284   19.7841    90.000    96.917    90.000       2982.04
    0.0181    0.0285    0.0250     0.000     0.057     0.000         14.30
Corrected for goodness of fit:
    0.0199    0.0314    0.0276     0.000     0.063     0.000         15.78
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.991      49.987     -64.411
Goniometer zeros (deg):          0.0000*    -0.1789      0.0000*    -0.1779    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -9.1233   0.3807  -0.0016   0.2076   0.4318  -0.0447
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         2.86904e+04   2.26378e+02    1.10       5         4       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                  70              70              61
 Average input ESD (pix, pix, deg):          0.19678         0.11328         0.04420
 Goodness of fit:                            1.29782         1.01682         0.76928
 
Orientation errors are still significant
Performing another orientation refinement...
 
Repeat orientation and spot-shape refinement ============= 06/23/2013 12:02:19
 
Current XYZ spot size:            0.827   1.121   0.856
Accurate-timing indicator is set in the frame headers:
   Velocity normalization will be computed for each frame
Pixel spacing (deg):              0.137
Profile X,Y,Z spacing (deg):      0.126   0.154   0.185
Profile convolver halfwidth:       1.28    1.05    1.93
Background pixels updated = 93.73%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
    0_0001    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   20 0.00 0.00 0.92 1.002
    1_0002    0  0.00  0.00  0.00  0.00  0.00  0.00      0   0    0  0.00   20 0.00 0.00 0.92 1.002
    2_0003    2 -1.85 -0.49  0.30  1.85  0.51  0.30 240.22   8    0  0.29   26 0.00 0.00 0.92 1.002
    3_0004   12 -1.09 -0.39  0.28  1.30  0.52  0.31 125.68   4   42  0.35   31 1.50 1.15 0.92 1.002
    4_0005   21 -0.53 -0.12  0.16  0.92  0.33  0.30 122.92   4   62  0.58   32 1.57 1.19 0.92 1.002
    5_0006   13 -1.24 -0.18  0.19  1.36  0.43  0.26 107.35   5   23  0.82   35 1.61 1.19 0.91 1.002
    6_0007   16 -1.08 -0.27  0.13  1.26  0.51  0.23 152.30   5   31  0.77   36 1.58 1.19 0.91 1.002
    7_0008   19 -1.03 -0.27  0.09  1.46  0.53  0.33 362.50   7   37  0.72   34 1.77 1.23 0.90 1.002
    8_0009   22 -0.92 -0.20  0.16  1.27  0.40  0.27 202.72   6   50  0.72   35 1.71 1.23 0.84 1.002
    9_0010   19 -0.75 -0.13  0.14  1.08  0.45  0.28 322.23   8   42  0.71   34 1.74 1.28 0.80 1.002
   10_0011   12 -1.12 -0.25  0.28  1.26  0.31  0.32 209.93   6   25  0.75   43 1.75 1.28 0.80 1.002
   11_0012   14 -0.45 -0.19  0.25  0.79  0.46  0.30 50.819   2   43  0.58   33 1.75 1.28 0.78 1.002
   12_0013   18 -0.86 -0.29  0.03  1.28  0.59  0.34 218.02   5   39  0.68   34 1.74 1.25 0.78 1.002
   13_0014   21 -0.66 -0.23  0.10  0.92  0.39  0.29 104.82   3   57  0.68   37 1.73 1.23 0.77 1.002
   14_0015   15 -0.58 -0.29  0.17  0.92  0.41  0.32 63.174   2   60  0.61   31 1.73 1.23 0.77 1.002
   15_0016   17 -0.66 -0.23  0.15  1.05  0.37  0.22 100.80   4   47  0.73   35 1.72 1.22 0.76 1.002
   16_0017   14 -0.78 -0.27  0.22  1.10  0.44  0.27 165.84   4   43  0.68   32 1.71 1.21 0.76 1.002
   17_0018   13 -0.51 -0.09  0.04  0.85  0.47  0.22 596.20   7   54  0.64   44 1.74 1.25 0.76 1.002
   18_0019   18 -1.05 -0.18  0.18  1.16  0.48  0.27 239.98   6   28  0.84   34 1.75 1.25 0.74 1.002
   19_0020   20 -0.95 -0.20  0.13  1.18  0.31  0.20 277.68   8   50  0.77   34 1.76 1.25 0.73 1.002
Background pixels updated = 94.12%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   20_0021   10 -0.46 -0.03  0.06  0.93  0.36  0.22 76.468   3   60  0.58   35 1.76 1.25 0.69 1.002
   21_0022   16 -0.76 -0.24  0.22  0.93  0.43  0.24 54.693   2   38  0.68   31 1.76 1.25 0.69 1.002
   22_0023   16 -0.84 -0.23  0.17  1.08  0.45  0.21 184.84   5   25  0.78   30 1.74 1.22 0.69 1.002
   23_0024   25 -0.88 -0.19  0.05  1.21  0.47  0.24 337.08   8   28  0.80   34 1.76 1.23 0.69 1.002
   24_0025   16 -0.86 -0.21  0.08  1.11  0.33  0.22 321.30   8   25  0.78   32 1.77 1.24 0.66 1.002
   25_0026   16 -0.78 -0.06  0.05  0.86  0.43  0.22 82.592   3   50  0.69   34 1.77 1.24 0.66 1.002
   26_0027   14 -0.55 -0.10  0.09  0.83  0.34  0.26 59.805   2   57  0.62   36 1.77 1.24 0.66 1.002
   27_0028   13 -0.69 -0.25  0.15  0.97  0.38  0.25 122.19   5   23  0.80   35 1.76 1.24 0.66 1.002
   28_0029   23 -0.71 -0.31  0.09  1.01  0.44  0.23 151.18   5   43  0.68   35 1.76 1.24 0.66 1.002
   29_0030   14 -0.89 -0.27  0.08  1.07  0.37  0.22 404.81   8   36  0.80   33 1.78 1.25 0.65 1.002
   30_0031   14 -0.64 -0.09  0.09  0.83  0.49  0.24 66.975   2   64  0.63   35 1.78 1.25 0.63 1.002
   31_0032   15 -0.91 -0.29  0.03  1.20  0.43  0.21 534.14   9   47  0.76   30 1.78 1.25 0.63 1.002
   32_0033   15 -0.47 -0.23  0.08  0.79  0.34  0.26 118.20   4   47  0.67   31 1.79 1.25 0.62 1.002
   33_0034   24 -0.83 -0.28  0.15  1.02  0.46  0.23 286.27   6   42  0.77   31 1.80 1.26 0.61 1.002
   34_0035   17 -0.35 -0.31  0.19  0.70  0.45  0.28 95.235   2   59  0.60   33 1.80 1.26 0.60 1.002
   35_0036   16 -0.73 -0.17  0.17  0.95  0.32  0.30 204.79   6   38  0.70   36 1.79 1.26 0.60 1.002
   36_0037    8 -0.77  0.09  0.12  0.90  0.39  0.24 210.75   6   25  0.80   41 1.80 1.26 0.60 1.002
   37_0038   17 -0.64 -0.20  0.08  0.96  0.43  0.21 417.40   7   47  0.74   37 1.80 1.27 0.60 1.002
   38_0039   12 -0.58 -0.04  0.09  0.83  0.35  0.24 70.338   3   42  0.73   32 1.80 1.27 0.60 1.002
   39_0040   24 -0.62 -0.14 -0.02  0.91  0.30  0.17 315.23   7   42  0.72   35 1.81 1.28 0.60 1.002
Background pixels updated = 93.61%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   40_0041   17 -0.76 -0.23  0.15  0.95  0.44  0.22 179.13   5   41  0.73   32 1.82 1.27 0.60 1.002
   41_0042   11 -0.74 -0.21 -0.01  1.07  0.43  0.22 1064.2  14   45  0.72   34 1.83 1.29 0.60 1.002
   42_0043   22 -0.61 -0.08  0.00  0.95  0.45  0.23 232.01   5   36  0.72   34 1.83 1.28 0.58 1.002
   43_0044    9 -0.56 -0.33  0.04  0.82  0.39  0.15 154.10   4   44  0.73   35 1.82 1.27 0.58 1.002
   44_0045   16 -0.29 -0.14  0.02  0.65  0.54  0.26 207.82   4   75  0.51   32 1.82 1.28 0.58 1.002
   45_0046   18 -0.63 -0.21  0.04  1.06  0.34  0.25 381.86   9   39  0.73   36 1.82 1.28 0.57 1.002
   46_0047   19 -0.66 -0.17  0.15  0.76  0.31  0.22 277.99   8   32  0.76   34 1.82 1.28 0.56 1.002
   47_0048   15 -0.78 -0.19 -0.02  0.89  0.28  0.16 430.71  10   20  0.80   34 1.83 1.28 0.56 1.002
   48_0049   18 -0.71 -0.08  0.11  0.89  0.28  0.15 280.79   6   39  0.78   37 1.83 1.28 0.56 1.002
   49_0050   14 -0.56 -0.20  0.11  0.77  0.29  0.19 168.41   4   36  0.71   36 1.83 1.28 0.56 1.002
   50_0051   18 -0.19 -0.23  0.02  0.68  0.43  0.20 58.379   2   67  0.56   36 1.83 1.28 0.56 1.002
   51_0052   19 -0.29 -0.14  0.03  0.68  0.35  0.15 123.09   4   53  0.66   33 1.83 1.28 0.56 1.002
   52_0053   17 -0.44 -0.08  0.06  0.65  0.53  0.23 387.88   6   47  0.72   35 1.84 1.29 0.55 1.002
   53_0054   20 -0.49 -0.15  0.08  0.80  0.32  0.16 188.08   5   55  0.68   33 1.83 1.28 0.55 1.002
   54_0055   14 -0.70 -0.12  0.08  0.90  0.36  0.18 458.47  10   36  0.82   42 1.83 1.29 0.55 1.002
   55_0056   11 -0.58 -0.27  0.15  0.75  0.37  0.23 133.95   3   55  0.67   30 1.83 1.29 0.55 1.002
   56_0057   13 -0.39  0.21  0.04  0.72  0.48  0.17 360.11   5   46  0.67   35 1.84 1.29 0.55 1.002
   57_0058   23 -0.58 -0.17  0.16  0.75  0.38  0.27 404.68   8   22  0.79   37 1.84 1.30 0.55 1.002
   58_0059   16 -0.78 -0.11  0.11  0.83  0.23  0.18 177.06   5   31  0.78   33 1.84 1.30 0.54 1.002
   59_0060   22 -0.52 -0.04  0.06  0.67  0.35  0.20 116.89   4   45  0.75   35 1.84 1.30 0.54 1.002
Background pixels updated = 94.15%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   60_0061   15 -0.60 -0.16 -0.01  0.76  0.32  0.15 351.08   7   40  0.77   32 1.85 1.30 0.54 1.002
   61_0062   17 -0.46 -0.05 -0.03  0.64  0.37  0.26 315.61   7   35  0.76   33 1.86 1.30 0.54 1.002
   62_0063   12 -0.52  0.02  0.06  0.66  0.26  0.17 698.82  11   33  0.75   37 1.87 1.30 0.54 1.002
   63_0064   17 -0.24 -0.07  0.03  0.63  0.47  0.24 80.833   3   53  0.65   32 1.87 1.30 0.54 1.002
   64_0065   19 -0.49 -0.10  0.03  0.67  0.35  0.19 441.53   8   47  0.74   34 1.87 1.30 0.54 1.002
   65_0066   14 -0.44 -0.13  0.10  0.66  0.30  0.25 177.46   5   36  0.71   39 1.86 1.29 0.54 1.002
   66_0067   11 -0.27 -0.13 -0.04  0.56  0.20  0.26 399.92   8   45  0.69   38 1.87 1.29 0.54 1.002
   67_0068   18 -0.37  0.01  0.06  0.64  0.28  0.25 196.24   4   44  0.70   35 1.87 1.29 0.54 1.002
   68_0069   15 -0.60 -0.05  0.05  0.72  0.20  0.20 270.80   7   27  0.82   31 1.87 1.29 0.54 1.002
   69_0070   18 -0.40 -0.17  0.03  0.59  0.31  0.21 256.23   6   39  0.72   35 1.88 1.29 0.53 1.002
   70_0071   17 -0.50 -0.08  0.08  0.62  0.39  0.19 245.47   6   35  0.79   35 1.88 1.29 0.53 1.002
   71_0072   19 -0.37 -0.05  0.04  0.59  0.26  0.19 171.02   5   42  0.74   32 1.88 1.29 0.53 1.002
   72_0073   13 -0.34 -0.09  0.04  0.44  0.36  0.24 59.046   3   46  0.65   32 1.88 1.29 0.53 1.002
   73_0074   25 -0.47 -0.10  0.02  0.65  0.33  0.23 359.15   7   32  0.77   36 1.88 1.28 0.53 1.002
   74_0075   14 -0.15 -0.15  0.11  0.45  0.27  0.20 117.76   3   64  0.54   34 1.88 1.28 0.53 1.002
   75_0076   15 -0.51 -0.02 -0.01  0.71  0.26  0.25 174.83   5   27  0.78   32 1.87 1.28 0.53 1.002
   76_0077   19 -0.48 -0.08  0.04  0.64  0.26  0.26 223.13   6   37  0.80   34 1.87 1.28 0.53 1.002
   77_0078   10 -0.52 -0.05  0.08  0.67  0.24  0.25 241.33   6   40  0.76   30 1.87 1.27 0.53 1.002
   78_0079   16 -0.43  0.07 -0.02  0.56  0.42  0.34 457.48   9   38  0.76   38 1.87 1.27 0.53 1.002
   79_0080   15 -0.32 -0.07  0.04  0.53  0.23  0.20 106.77   4   40  0.75   32 1.87 1.27 0.53 1.002
Background pixels updated = 93.89%            Port, connections: 2000, 1
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
   80_0081   17 -0.26 -0.11  0.12  0.46  0.24  0.28 53.465   2   53  0.64   33 1.87 1.27 0.53 1.002
   81_0082   13 -0.41 -0.02  0.06  0.55  0.31  0.17 189.36   6   31  0.79   34 1.87 1.27 0.53 1.002
 
I/Sigma = 30.04   Thresh = 0.020   Blend = F   #Contributing = 77   InitialProfileWt = 0.002
Region 1
Sum = 12802.3;   Maximum = 584.328;   FM = 0.802
!Region 1: Section 1->3
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!Region 1: Section 4->6
 3 1.002
   72_0073   16 -0.06 -0.02  0.01  0.25  0.29  0.23 51.557   2   56  0.64   32 1.96 1.27 0.53 1.002
   73_0074   26  0.06  0.07 -0.01  0.30  0.30  0.22 350.31   7   31  0.81   38 1.96 1.27 0.54 1.002
   74_0075   14  0.04 -0.14  0.11  0.28  0.33  0.19 118.00   3   64  0.58   33 1.96 1.27 0.53 1.002
   75_0076   14  0.03  0.09 -0.00  0.30  0.23  0.25 184.71   6   29  0.81   31 1.95 1.27 0.53 1.002
   76_0077   19  0.05  0.01 -0.01  0.28  0.26  0.21 214.56   6   37  0.82   35 1.95 1.27 0.53 1.002
   77_0078   11 -0.12  0.05  0.05  0.32  0.18  0.24 236.52   6   45  0.81   30 1.95 1.26 0.53 1.002
   78_0079   15  0.02  0.16 -0.02  0.21  0.36  0.36 485.11   9   40  0.79   38 1.95 1.26 0.53 1.002
   79_0080   16 -0.03  0.02  0.02  0.35  0.24  0.20 101.41   4   44  0.77   33 1.95 1.26 0.54 1.002
 
I/Sigma = 31.31   Thresh = 0.020   Blend = F   #Contributing = 75   InitialProfileWt = 0.002
Region 1
Sum = 13562.9;   Maximum = 621.138;   FM = 0.936
!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 = 18.35   Thresh = 0.020   Blend = F   #Contributing = 1   InitialProfileWt = 0.875
Region 2
Sum = 700.861;   Maximum = 28.0979;   FM = 0.894
!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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  1  2  2  6 23 31 17  4  1    1  1  1  1  5  7  4  1  0    0  0  0  0  0  0  0  0  0
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I/Sigma = 13.09   Thresh = 0.020   Blend = F   #Contributing = 3   InitialProfileWt = 0.670
Region 3
Sum = 1797.66;   Maximum = 83.3587;   FM = 0.91
!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 = 19.31   Thresh = 0.020   Blend = F   #Contributing = 12   InitialProfileWt = 0.201
Region 4
Sum = 5096.31;   Maximum = 272.984;   FM = 0.901
!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 = 41.30   Thresh = 0.020   Blend = F   #Contributing = 37   InitialProfileWt = 0.024
Region 5
Sum = 24218.8;   Maximum = 1375.24;   FM = 0.907
!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 = 85.17   Thresh = 0.020   Blend = F   #Contributing = 18   InitialProfileWt = 0.103
Region 6
Sum = 89481.8;   Maximum = 4802.23;   FM = 0.906
!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 = 31.86   Thresh = 0.020   Blend = F   #Contributing = 32   InitialProfileWt = 0.018
Region 7
Sum = 14636.2;   Maximum = 825.632;   FM = 0.91
!Region 7: Section 1->3
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I/Sigma = 14.61   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.513
Region 3
Sum = 2529.21;   Maximum = 99.6117;   FM = 0.937
!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 = 22.64   Thresh = 0.020   Blend = F   #Contributing = 27   InitialProfileWt = 0.027
Region 4
Sum = 6417.28;   Maximum = 275.596;   FM = 0.932
!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 = 51.60   Thresh = 0.020   Blend = F   #Contributing = 92   InitialProfileWt = 0.000
Region 5
Sum = 37418.1;   Maximum = 1683.16;   FM = 0.929
!Region 5: Section 1->3
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I/Sigma = 91.93   Thresh = 0.020   Blend = F   #Contributing = 38   InitialProfileWt = 0.008
Region 6
Sum = 102787;   Maximum = 4192.48;   FM = 0.928
!Region 6: 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 6: Section 7->9
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I/Sigma = 50.16   Thresh = 0.020   Blend = F   #Contributing = 79   InitialProfileWt = 0.000
Region 7
Sum = 35809.6;   Maximum = 1505.18;   FM = 0.935
!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 = 22.35   Thresh = 0.020   Blend = F   #Contributing = 48   InitialProfileWt = 0.002
Region 8
Sum = 6826.2;   Maximum = 272.835;   FM = 0.942
!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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Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         6.06606e+03   4.23523e+03    1.91      10         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 396             396             378
 Average input ESD (pix, pix, deg):          0.10574         0.10292         0.04603
 Goodness of fit:                            2.76641         1.30776         1.18119
 
Background pixels updated = 96.15%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  250_0251   22 -0.02  0.22  0.05  0.31  0.37  0.23 78.125   3   45  0.78   20 1.27 0.99 0.40 1.002
  251_0252   12 -0.11  0.29  0.02  0.32  0.40  0.17 96.336   5   50  0.79   21 1.27 0.98 0.40 1.002
  252_0253   10  0.19  0.04  0.09  0.33  0.41  0.19 63.548   4   30  0.81   23 1.27 0.98 0.40 1.002
  253_0254    8  0.04  0.09  0.10  0.38  0.18  0.20 283.80   8   50  0.69   22 1.27 0.99 0.40 1.002
  254_0255   17  0.14  0.12  0.11  0.48  0.30  0.28 91.571   4   53  0.72   22 1.27 0.99 0.40 1.002
  255_0256   11 -0.02  0.13  0.09  0.45  0.33  0.26 51.863   3   55  0.64   21 1.27 0.99 0.40 1.002
  256_0257   10  0.09 -0.07  0.02  0.24  0.50  0.33 134.32   5   60  0.72   18 1.27 0.98 0.40 1.002
  257_0258   17  0.18 -0.04  0.09  0.61  0.42  0.28 178.32   5   59  0.70   21 1.27 0.98 0.40 1.002
  258_0259   15  0.18  0.15  0.04  0.33  0.51  0.22 167.29   6   53  0.72   21 1.27 0.98 0.40 1.002
  259_0260   15  0.05  0.10  0.07  0.33  0.45  0.21 35.169   3   53  0.67   22 1.27 0.98 0.39 1.002
Background pixels updated = 95.08%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  260_0261   17  0.04  0.08  0.07  0.26  0.27  0.25 70.778   4   53  0.74   21 1.27 0.98 0.39 1.002
  261_0262   16  0.17  0.11  0.17  0.41  0.38  0.30 192.03  12   25  0.84   27 1.27 0.98 0.39 1.002
  262_0263   25  0.00  0.19  0.05  0.49  0.48  0.34 143.42   5   52  0.72   21 1.27 0.99 0.39 1.002
  263_0264   17  0.01  0.13 -0.00  0.35  0.26  0.25 92.724   4   29  0.82   22 1.27 0.98 0.39 1.002
  264_0265   16  0.12  0.16  0.01  0.34  0.37  0.11 116.19   5   31  0.84   20 1.28 0.98 0.39 1.002
  265_0266   18  0.16  0.04  0.22  0.35  0.41  0.28 100.30   5   28  0.82   21 1.28 0.98 0.39 1.002
  266_0267   20  0.02  0.08  0.14  0.32  0.28  0.20 48.968   3   40  0.81   21 1.27 0.98 0.39 1.002
  267_0268   15 -0.05  0.04  0.00  0.24  0.22  0.20 52.852   3   53  0.69   20 1.27 0.98 0.39 1.002
  268_0269   20  0.04  0.12  0.12  0.48  0.26  0.20 97.695   4   30  0.81   18 1.27 0.98 0.39 1.002
  269_0270   20 -0.04  0.15  0.10  0.38  0.31  0.18 80.802   4   45  0.78   22 1.27 0.98 0.39 1.002
  270_0271   21 -0.05  0.16  0.10  0.43  0.40  0.18 94.300   4   48  0.71   19 1.27 0.98 0.39 1.002
  271_0272   22 -0.02  0.18  0.12  0.42  0.38  0.25 61.283   3   45  0.71   22 1.27 0.98 0.39 1.002
  272_0273   21 -0.04  0.17  0.10  0.41  0.38  0.14 133.80   6   24  0.86   20 1.27 0.98 0.39 1.002
  273_0274   16  0.00  0.04  0.05  0.42  0.44  0.22 32.943   3   44  0.77   18 1.27 0.98 0.39 1.002
  274_0275   20 -0.03  0.20  0.11  0.40  0.49  0.27 154.05   5   35  0.78   19 1.27 0.98 0.39 1.002
  275_0276   12 -0.03  0.04  0.07  0.30  0.43  0.29 95.067   5   33  0.82   22 1.27 0.98 0.39 1.002
  276_0277   16  0.03  0.18  0.05  0.46  0.35  0.25 32.469   2   69  0.63   26 1.27 0.98 0.39 1.002
  277_0278    9 -0.11 -0.02  0.19  0.47  0.27  0.33 42.941   4   33  0.82   27 1.27 0.98 0.39 1.002
  278_0279   13  0.06  0.13  0.15  0.55  0.46  0.24 48.672   3   54  0.73   24 1.27 0.98 0.39 1.002
  279_0280   13 -0.00  0.00 -0.00  0.60  0.21  0.21 446.34  13   46  0.75   28 1.28 0.99 0.39 1.002
Background pixels updated = 95.59%            Port, connections: 2000, 1
Integration of kla0410
    # File #Ref  ErrX  ErrY  ErrZ  RmsX  RmsY  RmsZ Inorm #Sig %<2s <Cor> %Ful XSiz YSiz ZSiz  Beam
  280_0281   16  0.02  0.10  0.18  0.45  0.32  0.24 148.08   6   38  0.79   19 1.28 0.98 0.39 1.002
  281_0282   22  0.16  0.04 -0.00  0.44  0.50  0.24 62.845   3   73  0.58   21 1.28 0.98 0.39 1.002
  282_0283   10  0.15 -0.13  0.12  0.51  0.48  0.37 12.481   1   80  0.49   20 1.28 0.98 0.39 1.002
  283_0284   16  0.11  0.10  0.18  0.31  0.29  0.30 137.82   9   19  0.86   28 1.27 0.98 0.39 1.002
  284_0285   16  0.10  0.18  0.16  0.46  0.36  0.22 79.602   4   50  0.72   21 1.27 0.98 0.39 1.002
  285_0286   15 -0.03  0.15  0.14  0.48  0.29  0.24 22.843   2   60  0.66   22 1.27 0.98 0.39 1.002
  286_0287   14  0.01  0.10  0.10  0.28  0.47  0.29 75.760   4   21  0.83   21 1.27 0.98 0.39 1.002
  287_0288   26  0.09  0.14  0.17  0.34  0.45  0.27 104.84   6   35  0.79   22 1.27 0.98 0.39 1.002
  288_0289   15 -0.09  0.03  0.19  0.37  0.48  0.26 69.297   3   40  0.76   20 1.27 0.98 0.39 1.002
  289_0290   15 -0.10  0.09  0.05  0.51  0.28  0.30 142.24   8   53  0.71   22 1.27 0.98 0.39 1.002
  290_0291   18  0.19  0.00  0.16  0.35  0.29  0.23 196.39   7   28  0.82   20 1.27 0.98 0.39 1.002
  291_0292   15 -0.04  0.14  0.12  0.50  0.39  0.21 132.67   5   33  0.79   20 1.27 0.98 0.39 1.002
  292_0293   20  0.01 -0.01  0.16  0.23  0.40  0.26 45.518   3   50  0.72   23 1.27 0.98 0.39 1.002
  293_0294   18 -0.04  0.11  0.11  0.40  0.40  0.24 111.14   4   50  0.72   20 1.27 0.98 0.39 1.002
  294_0295   19 -0.13  0.10  0.09  0.35  0.48  0.34 60.690   3   53  0.68   19 1.27 0.98 0.39 1.002
  295_0296   14  0.19  0.02  0.15  0.34  0.49  0.27 63.344   3   50  0.72   22 1.27 0.98 0.39 1.002
  296_0297   19 -0.09 -0.02  0.16  0.29  0.30  0.22 78.046   4   42  0.82   25 1.27 0.98 0.39 1.002
  297_0298   23  0.07  0.17  0.20  0.39  0.34  0.33 58.141   4   39  0.77   22 1.27 0.98 0.39 1.002
  298_0299   24  0.06  0.18  0.09  0.46  0.40  0.22 116.32   6   42  0.77   23 1.27 0.98 0.39 1.002
  299_0300   19  0.04  0.06  0.13  0.37  0.33  0.20 109.89   4   32  0.77   21 1.27 0.98 0.39 1.002
 
................
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 (396 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:  0.7107300,  0.0000089
 
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)       396         0       396    8.1449    1.0251     5.001    40.568
 
Orientation ('UB') matrix:
  -0.0657509   0.0351783  -0.0296913
  -0.0154085  -0.0540925  -0.0304726
  -0.0669789  -0.0220893   0.0273369
 
         A         B         C     Alpha      Beta     Gamma           Vol
   10.5939   14.6624   19.9249    90.000    97.055    90.000       3071.54
    0.0029    0.0030    0.0038     0.000     0.007     0.000          1.95
Corrected for goodness of fit:
    0.0046    0.0047    0.0059     0.000     0.011     0.000          3.06
 
Crystal system constraint:            3  (Monoclinic B-uniq)
Parameter constraint mask:            T  (512 = 200[hex])
                                      T: Crystal Translations
 
Eulerian angles (deg):          139.241      50.814     -65.301
Goniometer zeros (deg):          0.0000*    -0.7700      0.0000*    -1.3224    (*=never refined)
Crystal translations (pixels):               0.0000      0.0000      0.0000
 
Detector corrections:   X-Cen    Y-Cen     Dist    Pitch     Roll      Yaw
                      -7.9602   0.0333   0.0391   0.1363   0.5672   0.2969
 
Refinement statistics:   StartingRes      FinalRes     GOF #Cycles #Filtered    Code
                         4.01110e+03   2.87018e+03    1.58       6         3       0
 
Overall statistics for terms in X, Y, and Z:       X               Y               Z
 Number of nonzero-weight terms:                 396             396             380
 Average input ESD (pix, pix, deg):          0.10582         0.10313         0.04727
 Goodness of fit:                            2.22769         1.09095         1.06831
 
BG snapshot written to /home/isengard/data/kla0410/work/bg_snap_04_0003.sfrm
 
I/Sigma = 28.12   Thresh = 0.020   Blend = F   #Contributing = 335   InitialProfileWt = 0.000
Region 1
Sum = 10911.2;   Maximum = 431.387;   FM = 0.937
!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 = 12.51   Thresh = 0.020   Blend = F   #Contributing = 2   InitialProfileWt = 0.766
Region 2
Sum = 1221.97;   Maximum = 42.5703;   FM = 0.937
!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 = 14.61   Thresh = 0.020   Blend = F   #Contributing = 5   InitialProfileWt = 0.513
Region 3
Sum = 2529.21;   Maximum = 99.6117;   FM = 0.937
!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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  0  0  0  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 = 25.91   Thresh = 0.020   Blend = F   #Contributing = 73 84 68 28  8  2
  1  4 12 27 36 26 10  3  1    1  4 14 35 53 43 18  5  1    1  3  9 26 45 40 19  6  2
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!Region 1: Section 7->9
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I/Sigma = 12.51   Thresh = 0.020   Blend = F   #Contributing = 2   InitialProfileWt = 0.766
Region 2
Sum = 1221.97;   Maximum = 42.5703;   FM = 0.937
!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 = 14.93   Thresh = 0.020   Blend = F   #Contributing = 6   InitialProfileWt = 0.449
Region 3
Sum = 2757.76;   Maximum = 106.919;   FM = 0.94
!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 = 23.48   Thresh = 0.020   Blend = F   #Contributing = 90   InitialProfileWt = 0.000
Region 4
Sum = 7221.33;   Maximum = 290.688;   FM = 0.928
!Region 4: Section 1->3
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I/Sigma = 47.79   Thresh = 0.020   Blend = F   #Contributing = 209   InitialProfileWt = 0.000
Region 5
Sum = 26681.6;   Maximum = 1125.4;   FM = 0.933
!Region 5: Section 1->3
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I/Sigma = 143.28   Thresh = 0.020   Blend = F   #Contributing = 112   InitialProfileWt = 0.000
Region 6
Sum = 163166;   Maximum = 6474.06;   FM = 0.925
!Region 6: Section 1->3
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I/Sigma = 34.09   Thresh = 0.020   Blend = F   #Contributing = 192   InitialProfileWt = 0.000
Region 7
Sum = 16556.5;   Maximum = 716.68;   FM = 0.927
!Region 7: Section 1->3
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9 Sha	q}&; 06"$"-0>Ruene.,&F   #Contributing = 11   InitialProfileWt = 0.230
Region 3
Sum = 3765.42;   Maximum = 129.478;   FM = 0.912
!Region 3: Section 1->3
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I/Sigma = 21.89   Thresh = 0.020   Blend = F   #Contributing = 117   InitialProfileWt = 0.000
Region 4
Sum = 6618.98;   Maximum = 259.475;   FM = 0.847
!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 = 45.83   Thresh = 0.020   Blend = F   #Contributing = 281   InitialProfileWt = 0.000
Region 5
Sum = 27421.2;   Maximum = 1205.49;   FM = 0.765
!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 = 65.57   Thresh = 0.020   Blend = F   #Contributing = 168   InitialProfileWt = 0.000
Region 6
Sum = 56895.4;   Maximum = 2545.94;   FM = 0.832
!Region 6: Section 1->3
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I/Sigma = 43.12   Thresh = 0.020   Blend = F   #Contributing = 269   InitialProfileWt = 0.000
Region 7
Sum = 26591.5;   Maximum = 1165.53;   FM = 0.916
!Region 7: Section 1->3
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!Region 7: Section 4->6
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  1  3 12 32 43 28 10  2  0    1  3 12 32 48 34 13  3  1    0  2  7 20 31 25 10  3  1
  0  3 13 46 77 60 23  5  1    1  3 15 55100 85 35  8  1    0  2 10 38 75 69 30  7  1
  0  1  5 18 36 34 16  4  1    0  1  7 25 53 54 27  7  1    0  1  5 20 44 48 25  7  1
  0  0  1  3  5  5  3  1  0    0  1  2  4  8 10  7  3  1    0  0  1  4  8 10  7  4  1
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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 7: Section 7->9
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I/Sigma = 23.14   Thresh = 0.020   Blend = F   #Contributing = 134   InitialProfileWt = 0.000
Region 8
Sum = 7219.39;   Maximum = 306.279;   FM = 0.92
!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 = 14.23   Thresh = 0.020   Blend = F   #Contributing = 6   InitialProfileWt = 0.449
Region 9
Sum = 2356.3;   Maximum = 86.3172;   FM = 0.916
!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  0  0  0
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!Region 9: Section 4->6
  0  0  0  0  0  0  0  0  0    0  0  0  0  0  0  0  0  0    0  0  1  0  0  0  0  0  0
  0  0  1  1  1  1  0  0  0    0  0  1  1  1  1  0  0  0    0  0  1  1  1  1  0  0  0ErZ RmX RmY RmZ
     1.000  10058   1070   6827   6458 45.2   120.860   8.93    1.90 0.055  0.000  0.5 0.028 0.096  1.76 .04 .05 .05 .39 .40 .27
     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 kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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   1362    241    763   1194 16.7   459.065  26.22    2.06 0.041  0.000  0.8 0.028 0.074  1.76 .11 .04 .05 .34 .26 .30
     1.655   1324    218    745   1158 23.4   161.109  10.74    1.96 0.050  0.000  0.5 0.000 0.089  0.00 .06 .06 .07 .32 .33 .26
     1.314   1218    159    742    952 31.9   105.392   7.08    1.95 0.067  0.000  0.4 0.000 0.121  0.00 .03 .06 .07 .34 .37 .24
     1.148   1081    108    713    736 39.7    80.257   5.47    1.92 0.070  0.000  0.4 0.000 0.141  0.00 .03 .05 .06 .37 .40 .25
     1.043   1010     86    704    612 46.9    55.999   4.10    1.89 0.087  0.000  0.4 0.000 0.162  0.00 .00 .07 .05 .38 .44 .25
     0.968    942     73    687    510 55.8    40.482   3.23    1.87 0.100  0.000  0.4 0.000 0.168  0.00 .00 .04 .05 .41 .44 .27
     0.911    871     58    659    424 63.9    29.142   2.54    1.84 0.147  0.000  0.4 0.000 0.329  0.00 .02 .05 .04 .43 .43 .28
     0.865    820     51    646    348 69.1    21.793   2.08    1.81 0.164  0.000  0.4 0.000 0.340  0.00-.00 .04 .02 .45 .47 .28
     0.828    796     45    635    322 72.6    18.309   1.80    1.78 0.211  0.000  0.4 0.000 0.414  0.00 .05 .05 .01 .45 .45 .29
     0.796    634     31    533    202 77.4    14.836   1.55    1.75 0.254  0.000  0.5 0.000 0.772  0.00 .04 .04 .03 .49 .47 .30
     0.768
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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   4477    421   3370   2409 96.0     4.894   0.77    1.87 0.377 -0.049  0.4 0.000 0.733  0.00 .01 .02 .01 .48 .51 .31
    18.388   1293    179   1058    786 19.3    26.939   2.40    1.88 0.136  0.002  0.4 0.000 0.294  0.00 .03 .07 .07 .36 .36 .24
    36.775   1281    172    969    876  0.0    53.364   3.53    1.90 0.102 -0.004  0.4 0.070 0.213  1.14 .05 .08 .09 .28 .28 .24
    73.551   1173    172    840    855  0.0   105.192   5.29    1.92 0.068  0.002  0.4 0.000 0.128  0.00 .05 .09 .09 .25 .24 .22
   147.102    844    129    563    673  0.0   207.140   9.00    1.95 0.053  0.000  0.5 0.034 0.099  0.26 .07 .09 .11 .24 .22 .25
   294.203    541     83    339    463  0.0   407.418  14.93    1.99 0.045  0.001  0.7 0.007 0.076  0.91 .11 .07 .08 .26 .20 .23
   588.406    293     50    173    263  0.0   808.769  24.74    2.05 0.037  0.002  1.0 0.000 0.069  0.00 .13 .05 .06 .28 .15 .26
  1176.812    114     19     69     99  0.0  1635.299  39.09    2.13 0.040 -0.001  1.7 0.000 0.081  0.00 .16 .06-.00 .33 .12 .32
  2353.625     38      7     23     33  0.0  3211.279  67.28    2.20 0.037  0.002  2.8 0.030 0.082  1.89 .14 .03 .08 .31 .12 .30
  4707.250      4      0      4      1  0.0  6612.375 118.13    2.32 0.051  0.010  6.9 0.000 0.000  0.00 .29-.01-.10 .34 .09 .15
  9414.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.raw)
   #Sigmas      #  Pairs   Uniq   Merg %<2s       <I> <#Sig>    <Bg>  Rsym   dI/I dI/s    R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ
     0.000   3995    364   3118   2028100.0     3.841   0.61    1.87 0.467 -0.074  0.4 0.000 0.960  0.00 .01 .02 .00 .49 .52 .31
     1.661   1625    236   1367    970 34.0    24.185   2.22    1.87 0.161 -0.001  0.4 0.000 0.363  0.00 .02 .06 .06 .39 .39 .25
     2.760   1659    232   1303   1128  0.0    59.200   3.63    1.90 0.101 -0.000  0.4 0.000 0.197  0.00 .04 .09 .08 .27 .28 .20
     4.586    936    174    746    725  0.0   117.447   5.50    1.93 0.065 -0.002  0.4 0.000 0.116  1.14 .05 .08 .09 .23 .24 .23
     7.619    843    174    652    715  0.0   216.218  10.06    1.96 0.055 -0.002  0.6 0.000 0.105  0.00 .09 .09 .09 .24 .23 .24
    12.658    550    139    428    484  0.0   413.957  16.28    2.00 0.043  0.001  0.7 0.050 0.075  0.64 .10 .05 .08 .26 .18 .28
    21.030    287     75    221    262  0.0   812.118  26.80    2.05 0.038  0.000  1.0 0.007 0.075  0.91 .18 .05 .06 .32 .16 .28
    34.940    119     33     95    110  0.0  1511.347  44.54    2.13 0.035  0.002  1.5 0.033 0.063  0.26 .16 .05 .10 .35 .15 .40
    58.049     32     10     29     28  0.0  2385.410  71.36    2.20 0.043  0.013  3.0 0.028 0.075  1.86 .31 .05-.02 .39 .11 .18
    96.443     12      2     10      8  0.0  4467.267 118.39    2.30 0.040  0.005  4.9 0.029 0.081  1.89 .22 .01 .10 .33 .09 .24
   160.230
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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   1321    268    678   1321  9.9   307.289  15.26    1.96 0.014  0.001  0.2 0.026 0.031  1.78 .09 .08 .06 .30 .27 .24
     0.030   1028    201    581   1028 12.2   274.026  14.28    1.95 0.044  0.003  0.5 0.030 0.085  1.78 .08 .09 .06 .31 .30 .24
     0.060    751    153    511    751 13.0   212.044  11.88    1.95 0.074  0.011  0.6 0.000 0.149  1.14 .07 .09 .06 .31 .28 .25
     0.090    525    147    452    525 18.9   121.820   7.79    1.93 0.102 -0.011  0.6 0.065 0.203  1.14 .03 .09 .08 .31 .30 .30
     0.120    381    112    381    381 24.9    77.365   5.52    1.92 0.132  0.002  0.6 0.000 0.263  0.00 .02 .09 .08 .31 .31 .25
     0.150    276     66    276    276 35.5    58.400   4.66    1.91 0.165 -0.005  0.6 0.000 0.323  0.00 .03 .11 .07 .33 .37 .28
     0.180    211     62    211    211 37.0    42.044   3.56    1.90 0.194  0.027  0.5 0.000 0.387  0.00 .05 .05 .06 .37 .40 .27
     0.210    193     56    193    193 44.6    28.868   2.80    1.89 0.225 -0.010  0.5 0.000 0.453  0.00 .01 .05 .05 .38 .38 .27
     0.240    143     48    143    143 49.7    27.843   2.83    1.89 0.252 -0.012  0.6 0.000 0.505  0.00-.00 .06 .06 .36 .36 .29
     0.270    128     36    128    128 62.5    20.948   2.28    1.88 0.284 -0.094  0.5 0.000 0.566  0.00 .03 .07 .01 .37 .44 .29
     0.300     81     20     81     81 69.1    18.287   2.14    1.89 0.316 -0.072  0.5 0.000 0.635  0.00 .01 .16 .02 .39 .50 .30
     0.330     91     30     91     91 71.4    20.867   2.56    1.89 0.347 -0.035  0.6 0.000 0.684  0.00 .06 .10 .04 .47 .45 .30
     0.360     71     21     71     71 80.3    13.073   1.67    1.87 0.373 -0.024  0.6 0.000 0.743  0.00 .06 .03 .05 .38 .42 .25
     0.390     61     22     61     61 78.7    11.385   1.54    1.88 0.404 -0.152  0.6 0.000 0.801  0.00 .02 .01 .05 .39 .46 .25
     0.420     74     22     74     74 86.5     9.149   1.31    1.87 0.435 -0.130  0.5 0.000 0.866  0.00 .08 .03-.01 .49 .48 .34
     0.450     61     26     61     61 88.5     9.351   1.27    1.88 0.466 -0.060  0.5 0.000 0.937  0.00 .02-.00 .05 .42 .47 .31
     0.480     53     19     53     53 92.5     8.048   1.21    1.88 0.494 -0.119  0.6 0.000 0.983  0.00-.04-.07-.01 .42 .49 .33
     0.510     55     17     55     55 90.9     6.737   1.02    1.87 0.524 -0.116  0.6 0.000 1.048  0.00-.05 .04 .10 .45 .44 .31
     0.540     49     14     49     49 95.9     6.582   1.02    1.85 0.555 -0.015  0.5 0.000 1.106  0.00 .02-.08 .03 .44 .53 .33
     0.570    905    221    658    905 99.3     1.548   0.29    1.87 1.152 -1.061  0.6 0.000 2.481  0.00-.00 .02-.00 .52 .56 .33
     0.600
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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    706    242    706    706 98.0     1.819   0.32    1.87 1.014 -2.209  0.7 0.000 1.942  0.00 .01 .03 .02 .52 .55 .33
    -0.460     51     17     51     51 84.3    10.348   1.39    1.87 0.440 -0.473  0.6 0.000 0.878  0.00 .01 .03 .07 .46 .40 .36
    -0.420     42     13     42     42 73.8    14.583   1.76    1.87 0.399 -0.443  0.6 0.000 0.796  0.00-.02 .05-.01 .41 .42 .22
    -0.380     55     14     55     55 72.7    20.698   2.46    1.90 0.356 -0.362  0.7 0.000 0.705  0.00 .10 .15 .10 .46 .42 .29
    -0.340     52     13     52     52 63.5    21.605   2.38    1.89 0.320 -0.329  0.6 0.000 0.649  0.00-.02 .16 .04 .40 .45 .30
    -0.300     81     15     81     81 49.4    26.718   2.70    1.90 0.281 -0.286  0.6 0.000 0.555  0.00 .03 .13 .02 .34 .47 .31
    -0.260     95     26     95     95 41.1    37.285   3.41    1.92 0.239 -0.240  0.6 0.000 0.475  0.00 .03 .08 .05 .38 .32 .28
    -0.220    128     44    128    128 41.4    38.177   3.32    1.92 0.198 -0.200  0.5 0.000 0.389  0.00 .09 .07 .06 .36 .40 .30
    -0.180    168     40    168    168 33.9    66.895   5.01    1.93 0.160 -0.161  0.6 0.000 0.314  0.00 .04 .14 .12 .31 .36 .31
    -0.140    301    100    301    301 21.6   107.785   7.05    1.94 0.115 -0.115  0.6 0.000 0.224  0.00 .00 .12 .10 .30 .32 .27
    -0.100    423    120    423    423 14.2   193.972  10.67    1.96 0.078 -0.078  0.6 0.000 0.161  1.14 .07 .09 .09 .31 .28 .28
    -0.060    688    256    688    688 12.8   273.748  14.01    1.96 0.038 -0.038  0.4 0.045 0.077  1.78 .06 .09 .09 .31 .30 .26
    -0.020    901    180    462    901  8.9   309.380  15.36    1.96 0.009  0.000  0.1 0.026 0.024  1.78 .09 .08 .06 .29 .27 .24
     0.020    760    273    760    760 11.6   290.180  14.97    1.95 0.038  0.038  0.4 0.029 0.074  1.80 .10 .09 .05 .31 .29 .22
     0.060    526    161    526    526 13.5   198.149  11.64    1.92 0.076  0.076  0.6 0.000 0.155  0.00 .06 .07 .04 .31 .28 .22
     0.100    309     89    309    309 23.3    90.075   6.29    1.91 0.117  0.117  0.6 0.065 0.234  1.14 .03 .08 .07 .31 .31 .31
     0.140    206     59    206    206 31.6    53.415   4.38    1.90 0.158  0.159  0.6 0.000 0.312  0.00 .01 .07 .05 .34 .35 .23
     0.180    149     34    149    149 35.6    39.913   3.48    1.88 0.198  0.198  0.5 0.000 0.401  0.00-.01 .03 .05 .36 .40 .25
     0.220    133     46    133    133 48.9    23.718   2.48    1.86 0.239  0.241  0.5 0.000 0.476  0.00-.01 .05 .07 .38 .40 .27
     0.260     89     37     89     89 73.0    15.855   1.83    1.88 0.276  0.277  0.4 0.000 0.548  0.00 .02 .00 .01 .38 .38 .29
     0.300     59     16     59     59 76.3    13.577   1.74    1.88 0.322  0.323  0.5 0.000 0.644  0.00-.01 .09-.01 .36 .46 .30
     0.340     58     23     58     58 79.3    15.910   2.18    1.87 0.354  0.359  0.6 0.000 0.718  0.00 .13 .05 .03 .46 .54 .27
     0.380     38     14     38     38 81.6    10.651   1.49    1.86 0.397  0.399  0.5 0.000 0.797  0.00 .03-.06 .08 .38 .43 .27
     0.420     44     14     44     44 93.2     7.024   1.10    1.88 0.438  0.439  0.5 0.000 0.878  0.00 .12-.07-.00 .50 .51 .30
     0.460    396    126    396    396 97.7     4.159   0.72    1.86 0.732  0.755  0.5 0.000 1.394  0.00-.03-.00-.02 .49 .56 .33
     0.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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   5803    998   2993   5803 38.2   109.976   8.06    1.92 0.045  0.001  0.3 0.027 0.083  1.76 .05 .07 .05 .37 .38 .26
     1.000    540    120    375    540 23.5   367.994  18.55    1.96 0.072 -0.006  1.3 0.033 0.127  0.26 .05 .08 .07 .34 .32 .29
     2.000     68     18     51     68 10.3   910.803  33.07    2.04 0.073 -0.006  2.4 0.065 0.140  1.14 .08 .08 .15 .31 .25 .52
     3.000     20      6     16     20  5.0  1776.875  51.23    2.11 0.067  0.015  3.5 0.000 0.122  0.00 .12 .07 .00 .33 .11 .29
     4.000     10      3      9     10  0.0  1557.945  57.39    2.23 0.073  0.012  4.2 0.000 0.113  0.00-.01 .04 .24 .23 .11 .55
     5.000      7      1      7      7  0.0  1681.762  58.23    2.20 0.096 -0.020  5.6 0.000 0.326  0.00-.15 .03 .15 .19 .09 .69
     6.000      4      0      4      4  0.0  2593.375  82.85    2.26 0.079  0.030  6.6 0.000 0.000  0.00 .07 .06 .29 .24 .08 .64
     7.000      3      1      3      3  0.0  1562.375  72.06    2.19 0.105  0.061  7.5 0.000 0.174  0.00 .07 .13 .03 .17 .15 .26
     8.000      3      2      2      3  0.0  3168.500 125.07    2.25 0.067 -0.024  8.5 0.029 0.135  1.89 .24 .04 .09 .33 .10 .16
     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 kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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  10058   1070   6827   6458 45.2   120.860   8.93    1.90 0.055  0.000  0.5 0.028 0.096  1.76 .04 .05 .05 .39 .40 .27
     1.000
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.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    440      2    438      4 62.5   198.290  17.14    1.95 0.725  0.000  1.4 0.000 3.487  0.00 .05 .00 .02 .44 .49 .28
     1.000
 
Coverage Statistics
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_04.raw)
                                                           .......Shell......
  Angstrms   #Obs Theory %Compl Redund   Rsym Pairs %Pairs Rshell #Sigma %<2s
 to  1.655    763    767  0.0   989.029  44.49    2.68 0.022  0.010  1.0 0.023 0.022  0.39 .17-.05 .08 .20 .09 .10
     2.819
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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     88     88     88     88 98.9     1.500   0.25    1.88 0.678 -1.223  0.6 0.544 0.627  0.93-1.6 .06 .00 1.6 .84 .35
    -1.380     63     62     63     62 95.2     3.431   0.54    1.86 0.692 -0.429  0.5 0.531 0.642  0.95-1.3-.03 .02 1.3 .55 .29
    -1.260     84     83     83     84 97.6     2.003   0.33    1.86 0.695 -0.905  0.6 0.592 0.607  0.86-1.2 .03-.06 1.2 .52 .31
    -1.140    138    137    137    138 93.5     5.217   0.78    1.86 0.501 -0.247  0.5 0.432 0.520  1.03-1.1 .07-.03 1.1 .56 .29
    -1.020    267    262    262    267 91.4     6.334   0.93    1.87 0.437 -0.069  0.5 0.341 0.459  0.91-.96-.02-.02 .96 .54 .31
    -0.900    387    373    374    387 88.9     7.855   1.06    1.86 0.371 -0.113  0.5 0.330 0.344  0.81-.84-.01-.01 .84 .53 .31
    -0.780    693    650    650    693 84.8    11.182   1.45    1.87 0.294 -0.063  0.5 0.250 0.288  0.87-.72 .01 .00 .72 .50 .31
    -0.660   1106    997   1003   1102 73.4    25.560   2.94    1.87 0.183  0.032  0.5 0.155 0.164  0.88-.59-.01 .02 .59 .46 .30
    -0.540   1762   1586   1589   1760 59.4    92.370   8.61    1.88 0.082  0.012  0.6 0.077 0.070  0.73-.47 .03 .01 .47 .41 .28
    -0.420   3065   2524   2528   3062 43.8   147.913  11.02    1.91 0.065  0.003  0.6 0.060 0.068  0.79-.36-.00 .01 .36 .35 .28
    -0.300   4417   3231   3234   4415 37.2   142.097   9.54    1.91 0.079  0.001  0.6 0.071 0.069  0.76-.24 .01 .01 .24 .34 .25
    -0.180   5290   3652   3658   5285 32.4   142.959   9.18    1.92 0.073  0.006  0.6 0.066 0.065  0.75-.12 .01 .01 .13 .31 .24
    -0.060   6088   4129   4134   6085 34.8   136.988   8.99    1.92 0.072  0.001  0.6 0.064 0.068  0.77-.00 .01 .02 .04 .33 .23
     0.060   4704   3498   3501   4701 35.5   122.160   8.37    1.91 0.076  0.002  0.6 0.067 0.067  0.74 .12 .00 .02 .13 .33 .23
     0.180   4144   3162   3164   4143 37.9   154.449  10.47    1.92 0.067 -0.006  0.6 0.060 0.062  0.75 .24 .01 .02 .24 .34 .23
     0.300   3068   2530   2535   3063 44.9   129.002   9.85    1.91 0.066  0.000  0.6 0.061 0.064  0.76 .36 .01 .02 .36 .36 .25
     0.420   1845   1636   1639   1844 56.6   112.316   9.79    1.90 0.071 -0.013  0.5 0.067 0.070  0.77 .48 .01 .01 .48 .39 .27
     0.540   1181   1097   1100   1180 66.8    87.534   8.93    1.89 0.072 -0.016  0.6 0.065 0.072  0.79 .59-.01-.00 .59 .43 .28
     0.660    716    673    674    716 79.2    34.096   4.25    1.88 0.125 -0.034  0.5 0.110 0.117  0.80 .71-.01 .01 .71 .45 .29
     0.780    390    373    374    389 91.8    18.201   2.71    1.87 0.178 -0.037  0.5 0.162 0.205  0.96 .84 .03 .01 .84 .48 .33
     0.900    283    273    276    280 93.3    16.748   2.51    1.86 0.170 -0.057  0.5 0.147 0.212  0.96 .96-.03 .02 .96 .52 .32
     1.020    149    147    147    149 96.0     4.458   0.69    1.86 0.545 -0.205  0.5 0.450 0.579  0.97 1.1-.04 .04 1.1 .52 .32
     1.140     83     81     83     82 95.2     3.264   0.54    1.87 0.625 -0.285  0.6 0.509 0.638  1.06 1.2 .02 .01 1.2 .57 .37
     1.260     61     60     60     61 96.7     1.887   0.33    1.87 0.787 -0.613  0.6 0.628 0.774  0.99 1.3 .05 .01 1.3 .69 .33
     1.380     94     94     94     94 95.7     2.961   0.49    1.88 0.644 -0.123  0.6 0.526 0.684  1.13 1.6 .09-.03 1.6 .84 .31
     1.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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     82     82     82     82 92.7     3.132   0.56    1.86 0.581 -0.333  0.6 0.530 0.470  0.76-.04-1.6 .01 .65 1.7 .35
    -1.380     38     38     38     38 94.7     4.458   0.69    1.85 0.508  0.002  0.5 0.398 0.487  0.94-.01-1.3-.04 .74 1.3 .26
    -1.260     88     87     87     88 95.5     2.533   0.44    1.86 0.589 -0.452  0.5 0.520 0.659  0.91 .02-1.2 .03 .64 1.2 .28
    -1.140    149    148    148    149 95.3     5.290   0.87    1.87 0.509 -0.166  0.6 0.465 0.433  0.79 .07-1.1-.01 .57 1.1 .33
    -1.020    211    204    205    210 92.4     5.348   0.86    1.87 0.481 -0.154  0.5 0.411 0.464  0.92-.03-.96 .01 .56 .96 .32
    -0.900    351    338    339    350 94.0     5.411   0.85    1.87 0.463 -0.113  0.5 0.391 0.441  0.86 .01-.84-.01 .48 .84 .32
    -0.780    623    580    582    621 85.7    11.420   1.56    1.87 0.286 -0.032  0.5 0.252 0.261  0.82-.00-.72 .00 .51 .72 .32
    -0.660    995    919    922    992 80.3    13.777   1.76    1.86 0.253 -0.020  0.5 0.220 0.245  0.87 .01-.59 .01 .48 .60 .32
    -0.540   1443   1294   1296   1442 71.0    24.029   2.68    1.87 0.170 -0.025  0.5 0.144 0.167  0.85 .00-.48 .01 .46 .48 .29
    -0.420   2362   2036   2041   2358 59.1    45.329   4.34    1.88 0.116  0.006  0.5 0.103 0.105  0.81 .00-.35 .01 .42 .36 .27
    -0.300   3629   2908   2916   3622 44.1    91.931   7.24    1.90 0.083  0.007  0.5 0.074 0.072  0.75-.01-.24 .01 .38 .24 .25
    -0.180   5620   3759   3761   5618 31.6   167.085  10.92    1.93 0.065  0.007  0.6 0.058 0.061  0.74-.01-.12 .01 .35 .12 .22
    -0.060   8108   4449   4460   8101 26.3   224.857  13.01    1.95 0.063  0.000  0.7 0.057 0.063  0.77 .00 .00 .00 .32 .04 .21
     0.060   5893   3926   3933   5892 31.6   173.727  10.81    1.93 0.066 -0.008  0.6 0.060 0.068  0.78 .01 .12 .01 .34 .12 .23
     0.180   3872   3015   3016   3871 43.4    85.714   6.43    1.89 0.091 -0.000  0.5 0.081 0.082  0.78 .00 .24 .03 .37 .24 .25
     0.300   2532   2135   2136   2531 54.1    54.075   4.61    1.88 0.111  0.006  0.5 0.099 0.100  0.78-.01 .35 .03 .40 .36 .27
     0.420   1522   1370   1370   1522 66.2    29.654   3.09    1.87 0.158  0.011  0.5 0.139 0.153  0.85 .01 .48 .04 .45 .48 .30
     0.540    953    882    884    952 73.0    19.600   2.28    1.86 0.207 -0.015  0.5 0.181 0.200  0.89-.02 .59 .03 .44 .59 .30
     0.660    707    670    671    707 83.3    11.017   1.48    1.86 0.281 -0.064  0.5 0.246 0.287  0.89-.00 .72 .02 .50 .72 .30
     0.780    377    363    365    375 89.4     9.628   1.38    1.86 0.314 -0.073  0.5 0.261 0.325  0.94-.03 .84 .02 .54 .84 .32
     0.900    236    236    236    236 90.7     9.469   1.39    1.86 0.342 -0.133  0.6 0.287 0.310  0.89-.03 .96-.02 .49 .96 .32
     1.020    160    158    160    158 89.4     5.338   0.86    1.87 0.383 -0.101  0.5 0.347 0.431  0.96 .01 1.1-.02 .57 1.1 .35
     1.140     62     62     62     62 95.2     3.554   0.57    1.84 0.485 -0.362  0.5 0.373 0.552  1.00-.11 1.2-.08 .56 1.2 .34
     1.260     45     45     45     45 93.3     3.143   0.57    1.87 0.464 -0.242  0.6 0.376 0.489  0.93-.10 1.3 .07 .65 1.3 .28
     1.380    108    107    107    108 89.8     5.111   0.86    1.85 0.463 -0.016  0.5 0.398 0.503  1.01-.06 1.7 .01 .86 1.7 .34
     1.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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      2      2      2      2 50.0     7.736   1.49    1.86 0.299  0.299  0.4 0.348 0.126  0.29 .35 .21-1.5 .36 .32 1.5
    -1.380      4      4      4      4100.0     2.461   0.45    1.95 0.951 -0.513  0.5 0.736 0.700  1.08-.15-.34-1.3 .25 .40 1.3
    -1.260     11     11     11     11100.0     3.468   0.61    1.85 0.600 -0.014  0.4 0.595 0.624  0.79-.15-.12-1.2 .29 .37 1.2
    -1.140     30     30     30     30 90.0    28.166   4.02    1.85 0.142 -0.031  0.5 0.118 0.154  0.91 .21 .04-1.1 .47 .43 1.1
    -1.020     58     58     58     58 93.1     6.083   0.91    1.86 0.418 -0.034  0.5 0.428 0.379  0.74-.05 .03-.95 .42 .60 .95
    -0.900    109    108    108    109 89.0    30.918   4.04    1.85 0.131 -0.031  0.5 0.115 0.121  0.74-.01-.03-.84 .45 .43 .84
    -0.780    220    214    215    220 90.0    39.443   5.41    1.87 0.110  0.030  0.5 0.104 0.096  0.74 .06 .02-.72 .49 .47 .72
    -0.660    473    453    453    473 87.9    20.776   2.85    1.87 0.188 -0.000  0.5 0.165 0.168  0.82-.01-.01-.59 .50 .50 .59
    -0.540    917    849    852    915 83.0    28.647   3.58    1.87 0.145 -0.003  0.5 0.124 0.144  0.86-.02-.03-.47 .50 .46 .47
    -0.420   1779   1544   1547   1776 74.8    53.733   6.05    1.88 0.093  0.004  0.5 0.084 0.096  0.81-.04 .02-.35 .47 .45 .36
    -0.300   3643   2919   2927   3636 59.7    77.083   7.08    1.89 0.091  0.002  0.5 0.086 0.084  0.80-.03 .00-.23 .44 .39 .24
    -0.180   6783   4532   4537   6778 39.4   130.315   8.99    1.91 0.075  0.001  0.6 0.069 0.071  0.77-.02 .00-.12 .37 .33 .12
    -0.060   9755   5235   5242   9751 30.9   168.091  10.58    1.92 0.067  0.000  0.6 0.061 0.068  0.78 .01-.00 .00 .33 .31 .04
     0.060   7621   4663   4670   7617 36.0   147.562  10.03    1.92 0.067 -0.000  0.6 0.059 0.065  0.74 .03 .01 .12 .36 .34 .12
     0.180   4560   3455   3464   4552 47.1   100.330   7.78    1.90 0.078  0.003  0.5 0.068 0.071  0.77 .00 .02 .23 .40 .39 .24
     0.300   2290   1974   1977   2289 56.8    71.544   6.35    1.88 0.097 -0.001  0.5 0.083 0.081  0.76-.00 .02 .35 .44 .43 .36
     0.420   1033    958    960   1031 64.0    70.504   6.92    1.88 0.105 -0.006  0.6 0.095 0.081  0.73-.03 .04 .47 .47 .46 .47
     0.540    447    430    431    447 70.7    55.903   6.00    1.88 0.114 -0.031  0.6 0.096 0.094  0.75-.01 .04 .59 .48 .49 .59
     0.660    232    222    222    232 73.7    69.310   7.83    1.89 0.109 -0.065  0.6 0.098 0.071  0.64 .01-.02 .71 .48 .48 .71
     0.780    100     99     99    100 61.0   105.585  10.70    1.88 0.091  0.004  0.8 0.077 0.059  0.64-.09 .02 .83 .48 .47 .83
     0.900     47     47     47     47 59.6    39.248   4.24    1.86 0.113 -0.025  0.5 0.094 0.090  0.66-.08 .04 .96 .47 .51 .96
     1.020     24     24     24     24 37.5   218.134  15.85    1.89 0.093 -0.026  1.1 0.094 0.036  0.36-.03 .02 1.1 .45 .41 1.1
     1.140     14     14     14     14 28.6   350.829  25.68    1.95 0.061 -0.041  1.6 0.069 0.048  0.69-.10-.01 1.2 .44 .32 1.2
     1.260      5      5      5      5 60.0    82.233   8.52    1.92 0.143 -0.143  1.1 0.087 0.107  1.12-.14 .12 1.3 .24 .67 1.3
     1.380      9      9      9      9 11.1   264.530  24.99    1.88 0.126 -0.124  2.0 0.099 0.062  0.72-.23-.14 1.8 .30 .37 1.8
     1.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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     36      0     36      0 86.1    10.347   1.19    1.72 0.000  0.000  0.0 0.000 0.000  0.00 .05-.10-.02 .53 .51 .26
     1.000    328    161    164    328 72.0    35.412   3.24    1.81 0.125  0.000  0.4 0.000 0.243  0.00-.04 .01-.01 .50 .44 .32
     2.000    903    299    301    903 70.4    51.676   4.79    1.85 0.113 -0.000  0.5 0.099 0.159  1.10 .02 .03-.01 .47 .44 .28
     3.000   5944   1485   1486   5944 69.4    67.416   6.36    1.84 0.102  0.000  0.5 0.086 0.121  1.11 .00 .01-.01 .47 .43 .28
     4.000   8770   1754   1754   8770 62.6    33.506   2.93    1.84 0.161 -0.000  0.5 0.139 0.160  0.89-.01 .01-.00 .44 .41 .28
     5.000   9030   1505   1505   9030 46.0    64.407   4.71    1.90 0.107 -0.000  0.5 0.096 0.097  0.77-.00 .02 .02 .38 .39 .25
     6.000   7490   1070   1070   7490 29.5   156.935  10.39    1.96 0.065  0.000  0.6 0.061 0.046  0.60 .00 .01 .02 .33 .33 .22
     7.000   7584    948    948   7584 17.6   303.171  18.57    2.00 0.054  0.000  0.8 0.050 0.042  0.65 .00-.01 .04 .31 .25 .22
     8.000     81      9      9     81  1.2   309.789  26.35    2.18 0.056  0.000  1.4 0.051 0.058  0.90 .11-.02-.01 .37 .16 .45
     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 kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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  40166   7231   7273  40130 45.4   120.366   8.98    1.91 0.074  0.000  0.6 0.067 0.074  0.79-.00 .01 .01 .39 .37 .25
     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 kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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   5451    766    767   5451 16.8   459.985  26.37    2.07 0.051  0.000  1.0 0.047 0.043  0.72 .02-.01 .03 .33 .24 .23
     1.655   5335    745    745   5335 23.5   160.393  10.69    1.97 0.063 -0.000  0.6 0.059 0.045  0.60-.00 .00 .04 .31 .29 .22
     1.314   4871    743    743   4871 32.2   104.590   7.07    1.95 0.077 -0.000  0.5 0.070 0.070  0.78-.00 .01 .03 .34 .33 .22
     1.148   4314    727    727   4314 40.2    78.357   5.41    1.92 0.091  0.000  0.5 0.082 0.085  0.78 .00 .01 .02 .36 .38 .24
     1.043   4035    731    731   4035 48.0    52.724   3.97    1.90 0.120 -0.000  0.5 0.105 0.120  0.88-.01 .02 .01 .38 .39 .25
     0.968   3784    736    736   3784 55.9    39.581   3.21    1.87 0.144 -0.000  0.5 0.129 0.141  0.87-.01 .02 .01 .41 .41 .27
     0.911   3480    727    727   3480 62.2    29.773   2.58    1.84 0.178 -0.000  0.5 0.156 0.181  0.90-.01 .01-.00 .44 .42 .28
     0.865   3283    721    721   3283 70.3    20.615   2.02    1.81 0.223 -0.000  0.5 0.194 0.238  0.93-.02 .02-.01 .45 .44 .28
     0.828   3157    735    735   3157 73.5    17.542   1.76    1.78 0.268  0.000  0.5 0.228 0.299  1.01 .00 .01-.01 .48 .43 .29
     0.796   2456    600    641   2420 77.3    14.195   1.50    1.75 0.304  0.000  0.5 0.259 0.358  1.05 .02 .00-.01 .50 .44 .31
     0.768
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (component 1 in kla0410_0m.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  19445   4280   4315  19414 92.3     6.028   0.92    1.87 0.446 -0.102  0.5 0.388 0.460  0.91-.00 .00-.01 .48 .47 .30
    22.673   5281   1733   1739   5277  4.9    32.808   2.70    1.89 0.166  0.009  0.5 0.146 0.180  0.85-.01 .01 .03 .32 .30 .22
    45.346   5079   1370   1371   5078  0.0    65.173   3.95    1.91 0.116  0.002  0.5 0.104 0.118  0.82-.01 .01 .04 .27 .25 .20
    90.691   4281    997    997   4281  0.0   129.385   6.13    1.94 0.080  0.004  0.5 0.072 0.079  0.77-.00 .02 .04 .24 .20 .19
   181.383   2957    592    592   2957  0.0   257.135  10.90    1.97 0.062  0.003  0.7 0.056 0.055  0.71 .01 .02 .04 .24 .18 .18
   362.766   1792    320    320   1792  0.0   510.942  17.81    2.02 0.050  0.000  1.0 0.047 0.042  0.66 .01 .01 .04 .25 .15 .19
   725.531    885    157    157    885  0.0   996.104  28.19    2.07 0.048  0.001  1.5 0.044 0.040  0.71 .02-.00 .03 .28 .12 .20
  1451.062    345     60     60    345  0.0  1970.039  46.78    2.16 0.049  0.003  2.5 0.045 0.039  0.66-.00 .00 .02 .29 .11 .21
  2902.125     90     17     17     90  0.0  3760.776  69.98    2.25 0.046  0.005  3.6 0.043 0.034  0.63 .01-.02 .02 .29 .11 .19
  5804.250     11      3      3     11  0.0  7599.618 115.15    2.35 0.060  0.004  6.3 0.040 0.093  1.67 .09-.03 .02 .29 .10 .07
 11608.500
 
Integration of kla0410
 ...1.1(1):  component 1 in sample 1 (compon`tkLK۵3uH|3{Uˍ_Ұp$YHaEӹZmTMs!E}սRjQ\EҾp:%{!q㧿0ڥnFls{Gd_~LGo0~.G/Θd'a`$$Fisn]G%}29'#nk@&7X^qDk{l*+=&j([KI˩̽;5&Jo
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it0 `YA7}W{IN71õO0 Z5Z<}<K4l#^-~jyrI//\'vjqv0igVYvk^KN-\묹)C!B^iFy8	uP?B
gE;P<#mh O	%T{aBK"7.q*Wg.$.DE,+$}kedH#sUxDM%!sb2P}!s	W_s*e4ۣNshBj%4L/dŞ:/^t
~$_D9YR:r0}fY[;d\d62a\#crf3Tq[OζR RhѤ#эBIPբINZ\aL#xn1Rǡ{PTg*Q|tm8JY$Գ's>M>ۓNէ6쬹/j1VT7e˫ yaHoqOGK.1ۓ_@w'e6]
iX1nyjϛD3uǐ)S.&׍$"J)۾qCNū _l\CĲIzd޶r,Ӵ4Bưwlo;+\:ϓ#aTvճ*/*z<zB.OhMgy{p@HMcPqTW#q7<Od:}pG+Ig39&0Hb1G_r_!}QnJi;mXl:_ޢdDMfi/zqs{- Gq˥m8[ռӷ2c|X6>2z=-GZ1	hɗ}p)5S?>awM*>ZTTQ-6',^æde'"ܝNTԀ1I	H߰hJ[+G^1K1C]K
<M;نO0=[LJiهh-M4AGݺ{+v·K҄'#
Swҽuc(,Av  F]'f6K\:6Lu뀡")ՄzyCIPk\dgqz`ng[\nWpM_ԀYk|8=M`GUN*Tn<}Y8/qvWNH5V"v;#]2 XV&! BnSf|@EY=@r|ƈ܏aJ
".zC%
qĐu!KXeGr{̦0w 8r7o׹4fbZey);Wu
ꁊŬ%R|-q=dJr|):٤2tG ?¨8fê3"lPŷ;γ0[P=~Xad+{Y 4?",>A.`&lL5hUSzb>͕|
aUGgFGKM;f	daJbq怲}m@9vPGMXBm0g{5PLrCWOb<Oh;\o^r	M7*"h[0{Ϊ37l'w JUBqD~
LSKgZT:@ϨސzwMvHHRMc=
1Zw+ozj_u%i_k%r!f9Vuf(&m2Ρi8u@uP$XD?KX!a7R:rU.y2UB$]n?DQ[<@ƮSPG
hg-@Pg_)Ƿ1,XB<t^C8N)e`uCX$؇Dq-ڒ[4##_eK<BH,%(V$Ψ:xnbw.-g|ῧa|>&lu|~#٤rgOǤ}MXY?MGpIfLZbIe2U>&tȬSmM^hU\XsN_*#;JD=dX=q׌: QwƔpx+`Ecqo1I90y)0xM5(q\kqdmo5p3&kD1>˺wh +H'g#++7z,#V@t`Mw/zdR+QhFIcߟKO.|{݀_ՏmnYrP5aA8*a7FlF ?ϲ 4{Ie:؜F_Eڮ]	loNl"eSg\|G8z8>#4X4M/ŒLޭm@Z1s$]2[dWҡQJ؞6hl_Q$ZNVQrLJZdNK~=];hygPE=GVk7SdyCf*4P½sqO[)E"ȳUΛL++ļq;xJbn0sr#إ̫DO-
OOAv9)08<dwhk~&WT5suZ07izHdfω E&"f6ZE_CFQ_뭓"_AnxLTGe<6z˚Py<OO8PB=GZ3f@inI<HtX;BJYU`;4ѽCرy^T߷f=@^߆Gn]"M>F~\50eE:X2N'e$Hs0dt	#~2Ns*3zr;k8\m+&D*AicM)ص<mdq/O[\M#Ay>V-<nctFg/:u}fM"ԿK_HSjlSP8@8+Cڳb*WET0B'ezr6UJ@r,3Ӽ}g7Lွ!ց3meܰIXƝx3?PDP4U	z) 	SuN|ōX6fy؞u֠ǰbkp>TbDGڨifLܥreCYCXUԎ8CSzUX`|
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`FhǇ|f5u3}Avc	B󄍏ճcsIvʵO9:2bEtw,V!Q$)ygP&LqsT6gU)KUoASgIH؀;b֮Wy5W/:T,śrWG}aR`vS*mS!u2sĂ4M:`krBseB7"8B5OĀ9I`ٍW77y cqrf:迹_	0iykmKxOF΋CQQzMa!'-0{Y{֍뼰^cgk(o:kXsTh)S!򠦸d5RMñNg(eίWn1`?B~PMj}aQ/e/2i"<lH;wF7&+RBQδck[UeU% X3D%~MH:fd"YDxnAA#h#iLpS:?Vy7vJ:މ8χ"ɞY9t+At5B#2{Y]ڀKMWUa3qSep(J^"@nP263\I7Ύۣ텘4F
ꚎM),`0%X`5O"X>Wk5D,Ƹ_pbŹsv̝䒛kv(^*jZ*uFVzԗ\Y\k67U,!ɗ'N 1';I
L`qu﫲jD`KeΙ8gS/;k=}
{|,Ƕъ[ݶ[<'m+ܢzVܽj&ޠKCxVĨq>5"^20"e1=%Ful6]f0a507lbC`24m㲟.qlgy2/%[
wwln΍+ww @?Y/0@7X;|
X@xڔg4 e..AWFhi#VuPk+/HU)xaijeсeRXcXz+&+בYSd:^gc?U;dU;>kge3Н:Bw+:BX&S}"\=mFk$MSb ${yV}.s3uUUQUD+ar}ѷ oOCFVdh^A/L5<R,e&x>u]kb6_uoЅiu=Qzz膧==(aL+7|`4%3'foaV%s.hmpGc4f8tFI !ك37>3@8DcxNtV;PKL    PK    +:լ-?                     META-INF/MANIFEST.MFPK    +:N?  '               ?@  META-INF/SELFSIGN.SFPK    +:,&Pm                 w  META-INF/SELFSIGN.RSAPK
 
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     +:            	             P  org/jmol/PK
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     +:                           org/jmol/api/PK
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     +:                           org/jmol/atomdata/PK
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     +:                         Ň  org/jmol/bspt/PK
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     +:                           org/jmol/export/PK
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     +:                           org/jmol/export/dialog/PK
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     +:                         T  org/jmol/export/image/PK
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     +:                           org/jmol/g3d/PK
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     +:                           org/jmol/geodesic/PK
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     +:                           org/jmol/i18n/PK
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     +:                           org/jmol/jvxl/PK
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     +:                         ;  org/jmol/jvxl/api/PK
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     +:                         k  org/jmol/jvxl/calc/PK
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     +:                           org/jmol/jvxl/data/PK
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     +:                           org/jmol/minimize/PK
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     +:                         1  org/jmol/minimize/forcefield/PK
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     +:                         l  org/jmol/modelset/PK
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     +:                           org/jmol/modelsetbio/PK
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     +:                         ϊ  org/jmol/popup/PK
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     +:                           org/jmol/quantum/PK
 
     +:                         +  org/jmol/shape/PK
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     +:                         X  org/jmol/shapebio/PK
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     +:                           org/jmol/shapespecial/PK
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     +:                           org/jmol/shapesurface/PK
 
     +:                           org/jmol/smiles/PK
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     +:                           org/jmol/symmetry/PK
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     +:                         N  org/jmol/translation/PK
 
     +:                            org/jmol/translation/JmolApplet/PK
 
     +:                           org/jmol/util/PK
 
     +:                           org/jmol/viewer/PK    +:&qā                   JmolApplet.classPK    +:x                 ؒ  jmol75x29x8.gifPK    +:DZ  M  M             .  org/jmol/adapter/readers/cifpdb/CifReader$RidiculousFileFormatTokenizer.classPK    +:tw!  ;J  /               org/jmol/adapter/readers/cifpdb/CifReader.classPK    +:r  -  /               org/jmol/adapter/readers/cifpdb/PdbReader.classPK    +:,    /               org/jmol/adapter/readers/molxyz/MolReader.classPK    +:M.3  W  /               org/jmol/adapter/readers/molxyz/XyzReader.classPK    +:    -             a  org/jmol/adapter/readers/more/AdfReader.classPK    +:  (  -               org/jmol/adapter/readers/more/CsfReader.classPK    +:4܂  
  .               org/jmol/adapter/readers/more/CubeReader.classPK    +:j  9
  4              org/jmol/adapter/readers/more/FoldingXyzReader.classPK    +:v    0              org/jmol/adapter/readers/more/GamessReader.classPK    +:Lb8    2              org/jmol/adapter/readers/more/GamessUKReader.classPK    +:8s    2             V  org/jmol/adapter/readers/more/GamessUSReader.classPK    +:&m  h!  2             & org/jmol/adapter/readers/more/GaussianReader.classPK    +:sD  
  4             *8 org/jmol/adapter/readers/more/GhemicalMMReader.classPK    +:I   	  -             = org/jmol/adapter/readers/more/HinReader.classPK    +:    0             KC org/jmol/adapter/readers/more/JaguarReader.classPK    +:Ya  N  -             O org/jmol/adapter/readers/more/JmeReader.classPK    +:N4B
  =  .             S org/jmol/adapter/readers/more/Mol2Reader.classPK    +:w$    0             )^ org/jmol/adapter/readers/more/MoldenReader.classPK    +:"  e  -             _j org/jmol/adapter/readers/more/MopacData.classPK    +:j8͋  |  3             n org/jmol/adapter/readers/more/MopacDataReader.classPK    +:΃  b  5             r org/jmol/adapter/readers/more/MopacGraphfReader.classPK    +:DX  m  /             z org/jmol/adapter/readers/more/MopacReader.classPK    +:}<  h  0              org/jmol/adapter/readers/more/NWChemReader.classPK    +:3    1              org/jmol/adapter/readers/more/OdysseyReader.classPK    +:Z&4    4              org/jmol/adapter/readers/more/OdysseyXMLReader.classPK    +:Sq  D  -             N org/jmol/adapter/readers/more/PqrReader.classPK    +:h4    -              org/jmol/adapter/readers/more/PsiReader.classPK    +:Y{  -
  /              org/jmol/adapter/readers/more/QchemReader.classPK    +:̒    /              org/jmol/adapter/readers/more/ShelxReader.classPK    +:jd~[  T  2             g org/jmol/adapter/readers/more/SpartanArchive.classPK    +:Z  u  1             R org/jmol/adapter/readers/more/SpartanReader.classPK    +:W_b    5              org/jmol/adapter/readers/more/SpartanSmolReader.classPK    +:5    /             M org/jmol/adapter/readers/more/V3000Reader.classPK    +:?r	  #  /              org/jmol/adapter/readers/more/WebMOReader.classPK    +:6J@    >              org/jmol/adapter/readers/xml/XmlArgusReader$ArgusHandler.classPK    +:0h  F  1             ; org/jmol/adapter/readers/xml/XmlArgusReader.classPK    +::|C    @              org/jmol/adapter/readers/xml/XmlChem3dReader$Chem3dHandler.classPK    +:u    2             d org/jmol/adapter/readers/xml/XmlChem3dReader.classPK    +:M?    :             9 org/jmol/adapter/readers/xml/XmlCmlReader$CmlHandler.classPK    +:l  -  /              org/jmol/adapter/readers/xml/XmlCmlReader.classPK    +:G  n  @              org/jmol/adapter/readers/xml/XmlMolproReader$MolproHandler.classPK    +:9<    2             [ org/jmol/adapter/readers/xml/XmlMolproReader.classPK    +:βEA     B             Y org/jmol/adapter/readers/xml/XmlOdysseyReader$OdysseyHandler.classPK    +:-je    3             
 org/jmol/adapter/readers/xml/XmlOdysseyReader.classPK    +:@+    :             \( org/jmol/adapter/readers/xml/XmlReader$DummyResolver.classPK    +:#~h  s  ;             * org/jmol/adapter/readers/xml/XmlReader$JmolXmlHandler.classPK    +:    ,             F3 org/jmol/adapter/readers/xml/XmlReader.classPK    +:y#    #             ; org/jmol/adapter/smarter/Atom.classPK    +:#  	N  0             B org/jmol/adapter/smarter/AtomSetCollection.classPK    +:nK,  ,  6             Of org/jmol/adapter/smarter/AtomSetCollectionReader.classPK    +:   2  #             { org/jmol/adapter/smarter/Bond.classPK    +:OA  _  0             | org/jmol/adapter/smarter/LimitedLineReader.classPK    +:7  0  '              org/jmol/adapter/smarter/Resolver.classPK    +:A`w  /  >             L org/jmol/adapter/smarter/SmarterJmolAdapter$AtomIterator.classPK    +:t?c    >             / org/jmol/adapter/smarter/SmarterJmolAdapter$BondIterator.classPK    +:r    C              org/jmol/adapter/smarter/SmarterJmolAdapter$StructureIterator.classPK    +:}"   $  1             N org/jmol/adapter/smarter/SmarterJmolAdapter.classPK    +:o  h  (              org/jmol/adapter/smarter/Structure.classPK    +:o{(F                 L org/jmol/api/Interface.classPK    +:{  .  +             ] org/jmol/api/JmolAdapter$AtomIterator.classPK    +:,    +             F org/jmol/api/JmolAdapter$BondIterator.classPK    +:$s  {  0             ˽ org/jmol/api/JmolAdapter$StructureIterator.classPK    +:Cy=                  org/jmol/api/JmolAdapter.classPK    +:Fyx:g    &             % org/jmol/api/JmolAppletInterface.classPK    +:     "              org/jmol/api/JmolBioResolver.classPK    +:\
    &              org/jmol/api/JmolDialogInterface.classPK    +:u܍    &             } org/jmol/api/JmolExportInterface.classPK    +:=Nz      *             ^ org/jmol/api/JmolFileReaderInterface.classPK    +:*B!   O  ,             0 org/jmol/api/JmolImageCreatorInterface.classPK    +:{p    (             K org/jmol/api/JmolRendererInterface.classPK    +:bx      (              org/jmol/api/JmolSelectionListener.classPK    +:W2  ~  #             b org/jmol/api/JmolSimpleViewer.classPK    +:8
[    %             n org/jmol/api/JmolStatusListener.classPK    +:NeN	                  org/jmol/api/JmolViewer.classPK    +:I      )              org/jmol/api/MOCalculationInterface.classPK    +:t:Y@      *              org/jmol/api/MepCalculationInterface.classPK    +:+   0  %              org/jmol/api/MinimizerInterface.classPK    +:Gi      )              org/jmol/api/SmilesMatcherInterface.classPK    +: eB  U  $              org/jmol/api/SymmetryInterface.classPK    +:	    &              org/jmol/api/VolumeDataInterface.classPK    +:o  ^  2              org/jmol/applet/Console$ControlEnterTextArea.classPK    +:e  4                org/jmol/applet/Console.classPK    +:       #             f org/jmol/applet/GuiMap$GetKey.classPK    +:p    %             G  org/jmol/applet/GuiMap$KeyJMenu.classPK    +:/    )             T org/jmol/applet/GuiMap$KeyJMenuItem.classPK    +:тcx  	               h org/jmol/applet/GuiMap.classPK    +:Z  "  +             *	 org/jmol/applet/Jmol$MyStatusListener.classPK    +:&Gj  6                org/jmol/applet/Jmol.classPK    +:JiM  )
  (             E6 org/jmol/applet/JmolAppletRegistry.classPK    +:(hJ  3               ; org/jmol/applet/Jvm12$1.classPK    +:iP  "               }? org/jmol/applet/Jvm12.classPK    +:=F  V  *             G org/jmol/appletwrapper/AppletWrapper.classPK    +:'he  8  +             V org/jmol/appletwrapper/ClassPreloader.classPK    +:kOv  X  )             sY org/jmol/appletwrapper/TickerThread.classPK    +:CFV     *             @[ org/jmol/appletwrapper/WrappedApplet.classPK    +:OW    0             \ org/jmol/appletwrapper/WrappedAppletLoader.classPK    +:04  "                ` org/jmol/atomdata/AtomData.classPK    +:      &             b org/jmol/atomdata/AtomDataServer.classPK    +:<!                 c org/jmol/bspt/Bspf.classPK    +:kH                 f org/jmol/bspt/Bspt.classPK    +:[  {                h org/jmol/bspt/CubeIterator.classPK    +:q   	               m org/jmol/bspt/Element.classPK    +:B8Ȑ  u               o org/jmol/bspt/Leaf.classPK    +:fQګ                 Wq org/jmol/bspt/Node.classPK    +:t2      #             Hu org/jmol/export/AxesGenerator.classPK    +:      '             v org/jmol/export/BackboneGenerator.classPK    +:B  I  $             v org/jmol/export/BallsGenerator.classPK    +:36      %             x org/jmol/export/BbcageGenerator.classPK    +:;c䎉      &             gy org/jmol/export/CartoonGenerator.classPK    +:1rB      &             Dz org/jmol/export/DipolesGenerator.classPK    +:/%Ń      #             %{ org/jmol/export/DotsGenerator.classPK    +:v     #             { org/jmol/export/DrawGenerator.classPK    +:g`d      #             } org/jmol/export/EchoGenerator.classPK    +:l6      )             } org/jmol/export/EllipsoidsGenerator.classPK    +:sū`}  -'               ~ org/jmol/export/Export3D.classPK    +:z      $              org/jmol/export/FrankGenerator.classPK    +:T@      )             j org/jmol/export/GeoSurfaceGenerator.classPK    +:XTȄ      $             R org/jmol/export/HalosGenerator.classPK    +:     )             ( org/jmol/export/IsosurfaceGenerator.classPK    +:}b¹      %              org/jmol/export/LabelsGenerator.classPK    +:zi+  >  *             q org/jmol/export/LcaoCartoonGenerator.classPK    +:
9      '              org/jmol/export/MeasuresGenerator.classPK    +:<      )             Ж org/jmol/export/MeshRibbonGenerator.classPK    +:R d0  H  /              org/jmol/export/MolecularOrbitalGenerator.classPK    +:q    $             A org/jmol/export/PmeshGenerator.classPK    +:ψ      (              org/jmol/export/PolyhedraGenerator.classPK    +:R/      &             v org/jmol/export/RibbonsGenerator.classPK    +:U      &             S org/jmol/export/RocketsGenerator.classPK    +: m      $             0 org/jmol/export/StarsGenerator.classPK    +:0c$    %              org/jmol/export/SticksGenerator.classPK    +:%މ      &             } org/jmol/export/StrandsGenerator.classPK    +: f      $             Z org/jmol/export/TraceGenerator.classPK    +:?P      %             3 org/jmol/export/UccageGenerator.classPK    +:ϑ9      &              org/jmol/export/VectorsGenerator.classPK    +:s
                  org/jmol/export/_Exporter.classPK    +:YQ|	    #             ư org/jmol/export/_MayaExporter.classPK    +:d  %;  %              org/jmol/export/_PovrayExporter.classPK    +:1r    #             
 org/jmol/export/_VrmlExporter.classPK    +:  1  8             > org/jmol/export/dialog/Dialog$ExportChoiceList~LFcegd7PW׬&ƹ?O.;4 w.Tg.C@qq'dNu>C栋)yJWv<<S]y
tHun#<Y^aXsTgқxSי}/0<O&:rfy{ޓ܎"FLs'43kX(FI%(AM(u@.5yN'	w:׈Y1nvyP<}Gz^bG<)̓1%C8 Js)2KWڏ'o[$94D)Ν* y2(3̒~KF̳4ud, O8|}+	cnEs㋱?Hjf2{֧23fjʧ$y΀Ol!4(ؼL47llT`j+r!ݝڇuQDS\w+t$PK9<3΃qѺ̧wFCjg%'AW=/?OǕ!*!@!Ĳ/+,Q[tijK⥏D8"?q%||%kFo,2q1?zPr-/F
<YՈZO@a7I"}fJ?&3C0h|)a??),PfM\gz]g&=,L'Ly|O8a	yN҄j@?\Ԛ:)0IA@8Yܚ0P&
HՄr@0)	5a. &Tj<@90	 ӄ*@>M8pM8P&T	i"@kb@pBMXh& :Fj҄ՄeFkr@c4a4	
XM8P&h&(	kB=M*Մ@5M	a@4aɚh&4:Q"N҄4a5!
h& :EZMӄh&h&҄ٚt&*ׄh@h&tԄi¹kyh Ui&@iNׄ.@՚pp!Ep ]6Z	:C Z	 фKjej倖iV@5
@+4J@upp5Up35Z@giuքք k6@AMP&Qn҄M	InԬ	hmji.@QME jՄ; 4N@mps4ᇀ(	?Ԅk=k½6h^@pNMFMx й 4!@?Є}6iÀׄ5u^ҥ	=/Є^jiB͚ck#h£/ф_	?A|&<rMxVMx+5ᧈ҄!ZF|&4 5oЄ_"ަ	B|&M,595y;47wjoфߪ	/!M^F|&x&ZuRN^':utCo~zS7zRgn-@ )3767л:sC37;!u37 ~u>ԙHgnc?YgnOuhg:sCX-u憾ЙRgn:sCәW:sC T77:sCԙVgn;[gn?:sC)ݐ\4QD	)oQi(D:!	hu,>[ݐnݐUݐttCb6`&ztBi/P51P[la:z!ѧ\8P)@]uBb^H~X ΃68!PG'$	1]cttB(xNHttB::!8VG'$q::!1 huz EާutBbNH,	8ttBD8IG'$N	SttB≀:
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