SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:26:07 INTEGRATE & "/smb/isengard/data/neal054/fastscan_01_0001.sfrm,neal054_[1-23]_0001" & "/smb/isengard/data/neal054/work/neal054_01.raw,neal054_01A,neal054_[2-23]" & /2THETA=-9999.0000 /ACTTHRESH=0.0000 /ALPHA12 /AMNAME=$NEW /BATCH=1 & /BGCSCALE=0 /BGQSCALE=1 /BGSIG=1.000 /CHI=-9999.0000 /CRYSTAL=1 & /CYCLIM=25 /DAAP=0.0000 /DAPHI=0.00000 /DFRAME /ESDSCALE=1.00000 & /EXPOSURE=0.000 /GLOBAL /GMARQ=2.000000e-03 /GMIN=0 /GREFLIM=9999 & /GRLVERR=0.0250 /GSVD=1.000000e-06 /IAXIS=-9999 /IOVSIGMA=-3.00000 & /K1=3 /K2=3 /L1=T /L2=0 /LATTICE=0 /LMARQ=2.000000e-03 /LMIN=0 & /LORENTZ=0.02000 /LORMODEL=0.07500 /LRES=9999.00000 /LSFIT /LSFREQ=50 & /LSVD=5.000000e-05 /LTHR=8.000 /LWT=0.000 /MACHINE_ERROR=0.0000 & /MAXSATIND=1 /MCREFLIM=4096 /MCVERB=1 /MEDMSK=-1 /MISSING=0.6000 & /MMIC=20.00000 /NEXP=-9999 & /NFRAMES="180,80,94,80,80,94,82,92,82,92,92,80,92,82,82,92,94,95,82,92,95,95,360,126" & /NODECAY /NSIM=0 /OMEGA=-9999.0000 & /ORIENTATION="/smb/isengard/data/neal054/work/z7A9pa.p4p" & /ORTUPDSCALE=1.000 /OVRTIME=-9999.00000 /PHI=-9999.0000 & /POINTGROUP="2/m" /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 /QUEUEHALF=7 & /RESOLUTION="0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86" & /ROLL=0.000 /SEED=0 /SHRMSK=-1 /SMAP=$P4P /SMIC=20.00000 /SNAP=100 & /SPATIAL=$NULL /SSBIAS=1.0000 /STRONG=10.000 /TIMEOUT=0.000 & /TITLE="Integration of neal054" /TOPFILT /TPROF=0.0500 /TTM=0.000 & /TWINBOXRATIO=1.30000 /TWINMINCOMVOL=0.04000 /TWINSEPARATION=1.00000 & /VERBOSITY=2 /VOLANGSTROMS=1.00000 /VOLTARGET=1.00000 & /WIDTH=-9999.0000 /WTMETH=2 /XSIZE=0.7800 /YSIZE=0.7800 /ZSIZE=2.2700 & /ZW=1.000 Multiple runs have been specified: (current run indicated with "*") FRAME MATRIX OUTPUT #FRAMES RESOLUTIONS fastscan_01_0001.sfrm z7A9pa.p4p neal054_01.raw 180 0.86 neal054_01_0001.sfrm z7A9pa.p4p neal054_01A.raw 80 0.86 neal054_02_0001.sfrm z7A9pa.p4p neal054_02.raw 94 0.86 neal054_03_0001.sfrm z7A9pa.p4p neal054_03.raw 80 0.86 neal054_04_0001.sfrm z7A9pa.p4p neal054_04.raw 80 0.86 neal054_05_0001.sfrm z7A9pa.p4p neal054_05.raw 94 0.86 neal054_06_0001.sfrm z7A9pa.p4p neal054_06.raw 82 0.86 neal054_07_0001.sfrm z7A9pa.p4p neal054_07.raw 92 0.86 neal054_08_0001.sfrm z7A9pa.p4p neal054_08.raw 82 0.86 neal054_09_0001.sfrm z7A9pa.p4p neal054_09.raw 92 0.86 neal054_10_0001.sfrm z7A9pa.p4p neal054_10.raw 92 0.86 neal054_11_0001.sfrm z7A9pa.p4p neal054_11.raw 80 0.86 neal054_12_0001.sfrm z7A9pa.p4p neal054_12.raw 92 0.86 neal054_13_0001.sfrm z7A9pa.p4p neal054_13.raw 82 0.86 neal054_14_0001.sfrm z7A9pa.p4p neal054_14.raw 82 0.86 neal054_15_0001.sfrm z7A9pa.p4p neal054_15.raw 92 0.86 neal054_16_0001.sfrm z7A9pa.p4p neal054_16.raw 94 0.86 neal054_17_0001.sfrm z7A9pa.p4p neal054_17.raw 95 0.86 *neal054_18_0001.sfrm z7A9pa.p4p neal054_18.raw 82 0.86 neal054_19_0001.sfrm z7A9pa.p4p neal054_19.raw 92 0.86 neal054_20_0001.sfrm z7A9pa.p4p neal054_20.raw 95 0.86 neal054_21_0001.sfrm z7A9pa.p4p neal054_21.raw 95 0.86 neal054_22_0001.sfrm z7A9pa.p4p neal054_22.raw 360 0.86 neal054_23_0001.sfrm z7A9pa.p4p neal054_23.raw 126 0.86 Current batch number is 19 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 45.56 (from frame neal054_18_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_18_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_18_0001.sfrm) Base offset per exposure: 64 (from frame neal054_18_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_18_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:26:07 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_18_0001.sfrm Nominal time per frame (s): 21 Intensity normalization in deg/min: 2.85714 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:26:08 INFO: No spatial correction will be used Orientation for 1 component read from /smb/isengard/data/neal054/work/z7A9pa.p4p Detector distance of 3.996 cm was obtained from header of /smb/isengard/data/neal054/neal054_18_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:26:08 Median filter size: input, used -1, 4 Mask shrinkage (pix): input, used -1, 6 No diamond-anvil cell occlusions will be computed Active area will be limited according to x-ray aperture file: neal054_xa_18_0001.sfrm Active pixel mask written to neal054_am_18_0001.sfrm Fraction of mask marked active: 0.9595 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 58.943 57.368 204.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 82 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:26:08 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 91.31% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %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 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 2_0003 1 0.09 0.15 0.04 0.09 0.15 0.04 181.45 2 100 0.29 27 0.78 0.78 2.27 1.000 3_0004 13 0.55 0.21 -0.21 0.73 0.53 0.26 25573 39 0 0.39 28 0.78 0.78 2.27 1.000 4_0005 5 0.44 -0.06 -0.09 0.69 0.30 0.19 44123 55 20 0.66 34 0.78 0.78 2.27 1.000 5_0006 4 1.01 0.53 -0.16 1.09 0.67 0.25 8003.2 20 0 0.67 27 0.78 0.78 2.27 1.000 6_0007 8 0.45 0.07 -0.12 0.59 0.14 0.16 13927 26 0 0.62 24 0.78 0.78 2.27 1.000 7_0008 8 0.45 0.15 -0.09 0.56 0.26 0.18 52115 54 13 0.60 27 0.78 0.78 2.27 1.000 8_0009 5 0.08 0.06 -0.18 0.20 0.14 0.29 106434 95 0 0.70 33 0.78 0.78 2.27 1.000 9_0010 10 0.85 0.22 -0.19 1.28 0.52 0.23 26280 39 10 0.69 28 0.78 0.78 2.27 1.000 10_0011 9 0.40 0.33 -0.13 0.51 0.41 0.20 55662 56 11 0.60 28 0.78 0.78 2.27 1.000 11_0012 12 0.39 0.25 -0.07 0.47 0.39 0.25 54470 63 0 0.64 32 0.78 0.78 2.27 1.000 12_0013 12 0.57 0.07 -0.10 0.81 0.46 0.26 39091 44 8 0.64 27 0.78 0.78 2.27 1.000 13_0014 13 0.44 0.19 -0.15 0.66 0.47 0.25 21017 32 8 0.66 28 0.78 0.78 2.27 1.000 14_0015 12 0.26 0.01 -0.18 0.41 0.27 0.35 34346 46 17 0.70 25 0.78 0.78 2.27 1.000 15_0016 8 0.19 -0.05 -0.13 0.28 0.30 0.17 49693 59 13 0.72 33 0.78 0.78 2.27 1.000 16_0017 8 0.55 0.13 -0.04 0.68 0.26 0.18 32949 41 0 0.72 28 0.78 0.78 2.27 1.000 17_0018 13 0.37 -0.05 -0.09 0.56 0.18 0.18 25801 37 0 0.67 27 0.78 0.78 2.27 1.000 18_0019 4 0.13 -0.05 -0.02 0.15 0.07 0.03 114000 123 0 0.77 34 0.78 0.78 2.27 1.000 19_0020 10 0.53 -0.13 -0.06 0.80 0.39 0.16 22512 35 10 0.68 27 0.78 0.78 2.27 1.000 Background pixels updated = 91.72% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 1.02 0.47 -0.20 1.78 1.14 0.27 13625 25 0 0.71 27 0.78 0.78 2.27 1.000 21_0022 5 0.24 -0.24 -0.14 0.47 0.27 0.15 29678 48 0 0.55 28 0.78 0.78 2.27 1.000 22_0023 8 0.41 -0.12 0.15 0.53 0.14 0.51 47422 71 0 0.75 35 0.78 0.78 2.27 1.000 23_0024 12 0.22 -0.06 -0.05 0.56 0.23 0.14 68413 70 8 0.68 27 0.78 0.78 2.27 1.000 24_0025 7 0.13 -0.14 -0.04 0.30 0.17 0.09 55212 62 0 0.77 31 0.78 0.78 2.27 1.000 25_0026 6 0.57 -0.08 -0.11 1.07 0.26 0.17 105090 87 0 0.73 27 0.78 0.78 2.27 1.000 26_0027 11 0.32 -0.02 -0.15 0.42 0.24 0.17 45092 49 0 0.71 28 0.78 0.78 2.27 1.000 27_0028 11 0.30 -0.05 -0.09 0.39 0.29 0.15 31764 46 0 0.70 29 0.78 0.78 2.27 1.000 28_0029 20 0.53 0.07 -0.14 0.79 0.35 0.19 29181 41 0 0.67 28 0.78 0.78 2.27 1.000 I/Sigma = 51.74 Thresh = 0.020 Blend = F #Contributing = 50 InitialProfileWt = 0.053 Region 1 Sum = 13955.6; Maximum = 123.878; FM = 0.651 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 5 11 10 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 2 7 7 4 2 1 1 1 1 17 44 43 28 13 5 2 2 1 0 0 0 0 0 0 0 0 0 2 5 6 4 2 1 1 1 0 16 36 35 25 13 5 2 2 1 0 1 0 0 0 0 0 0 0 2 6 7 5 2 2 1 1 0 17 45 47 32 16 6 3 2 1 0 0 0 0 0 0 0 0 0 1 3 4 3 2 1 1 1 0 12 29 32 24 13 5 3 2 1 0 1 1 0 0 0 0 0 0 2 3 4 2 1 1 1 1 0 10 24 27 20 12 5 3 2 1 0 1 1 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 6 15 18 14 9 4 2 2 1 0 1 0 0 0 0 0 1 0 1 2 1 1 1 1 1 1 0 4 9 10 8 5 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 3 2 2 1 1 1 0 !Region 1: Section 4->6 9 24 22 16 12 6 3 1 0 8 21 22 25 30 21 11 4 1 3 9 16 28 41 36 22 10 2 31 70 70 50 28 12 6 4 1 20 47 55 52 40 29 20 11 2 6 18 31 42 47 49 41 22 6 31 73 73 56 35 17 9 5 1 24 62 72 72 62 47 31 15 4 8 28 45 65 76 79 60 30 8 36 87 90 67 40 21 10 5 2 29 70 81 81 72 56 35 17 4 10 29 47 70 90 92 71 38 10 29 68 76 61 37 19 10 5 2 26 62 77 78 67 49 33 18 5 9 26 42 61 76 80 68 42 14 24 59 67 56 36 19 10 5 1 21 56 73 79 70 57 40 22 6 8 24 43 70 90100 86 52 17 16 39 45 41 28 15 8 4 1 16 40 52 57 52 41 28 15 4 6 18 30 45 59 68 61 40 14 10 25 29 26 19 12 6 3 1 11 27 36 40 40 36 26 16 5 5 13 21 34 50 63 59 42 16 2 6 8 8 6 4 3 2 1 2 7 11 15 14 10 8 5 1 1 4 7 14 18 17 19 14 5 !Region 1: Section 7->9 1 3 8 16 23 23 17 10 4 0 1 1 2 3 4 4 5 4 0 0 0 0 0 0 1 1 1 2 5 12 20 29 36 34 21 8 0 1 3 4 6 9 11 9 5 0 0 0 1 1 1 1 2 2 2 8 17 31 44 55 47 27 10 0 1 3 5 8 12 13 12 6 0 0 0 1 1 1 2 3 2 2 8 17 35 54 64 57 35 12 1 2 3 7 11 14 16 14 7 0 0 0 1 1 1 2 3 2 2 7 14 28 45 59 58 41 16 1 2 3 6 10 15 19 18 9 0 0 0 1 1 1 3 4 2 2 7 16 33 56 74 72 51 20 1 2 3 6 11 18 22 22 12 0 0 1 0 1 2 3 5 4 2 4 9 20 36 53 58 45 19 1 1 2 4 9 15 21 21 11 0 0 0 0 1 1 3 4 3 1 4 8 17 31 48 54 47 21 0 1 2 4 7 13 20 23 13 0 0 0 0 1 1 3 6 4 1 1 2 6 12 16 21 17 7 0 0 1 2 3 6 9 8 4 0 0 0 0 0 1 1 2 1 I/Sigma = 243.79 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.061 Region 2 Sum = 267856; Maximum = 4246.68; FM = 0.911 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 6 15 15 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 3 2 1 0 1 4 14 30 32 19 7 2 0 0 0 0 0 0 0 0 0 0 0 1 3 4 5 4 2 1 0 1 5 19 33 40 30 12 4 1 0 0 0 0 0 0 0 0 0 0 0 2 4 5 4 2 1 0 1 4 13 28 39 34 16 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 3 10 22 35 33 17 4 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 5 14 22 20 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 8 14 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 4 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 0 0 0 0 !Region 2: Section 4->6 0 2 9 23 24 14 4 1 0 0 1 6 14 18 12 5 1 0 0 1 3 7 9 7 3 1 0 1 7 27 57 63 38 14 4 1 1 6 22 47 56 35 13 4 1 0 3 11 24 30 20 8 2 1 2 11 38 69 84 65 27 7 1 1 12 40 71 82 62 26 7 1 1 8 29 48 52 38 16 4 1 1 10 34 65 83 71 35 9 1 2 14 46 80 90 73 33 9 2 1 10 36 65 68 51 22 6 1 1 10 35 64 84 76 38 9 1 2 15 50 83100 84 38 9 1 1 11 37 64 79 62 27 7 1 1 4 19 44 61 51 22 4 0 1 8 30 60 76 60 25 6 1 2 8 25 48 60 50 23 7 1 0 2 9 27 40 27 8 1 0 1 4 14 35 47 33 12 3 1 1 4 12 28 36 27 15 5 1 0 1 4 12 20 12 3 1 0 0 2 6 16 24 17 6 2 0 1 2 6 14 21 18 9 3 1 0 0 1 2 3 2 0 0 0 0 0 1 2 4 3 1 0 0 0 1 2 2 3 4 2 1 0 !Region 2: Section 7->9 0 0 1 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 10 7 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 11 18 20 15 7 2 0 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 14 27 29 21 10 3 1 0 1 3 4 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 5 15 29 35 27 13 4 1 0 2 4 6 6 5 3 1 0 0 0 1 1 0 0 0 0 0 1 5 13 25 31 27 15 5 1 1 3 4 7 8 6 4 2 0 0 1 1 1 1 1 0 0 0 1 4 8 16 20 17 10 4 1 1 2 4 5 6 5 3 2 0 0 1 1 1 1 1 0 0 0 1 3 5 11 15 14 8 4 1 1 2 3 4 5 4 3 2 0 0 1 1 1 1 1 0 0 0 0 1 2 2 2 2 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 166.24 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.053 Region 3 Sum = 125812; Maximum = 2059.94; FM = 0.906 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 2 3 5 8 7 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 3 6 10 14 14 12 8 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 1 4 7 13 19 21 17 9 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 1 3 7 15 23 26 21 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 1 3 7 16 27 29 21 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 1 2 7 16 27 26 14 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 5 12 19 15 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 5 8 5 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 2 1 0 0 0 !Region 3: Section 4->6 1 4 6 10 17 14 9 6 2 1 3 6 8 14 12 9 6 2 0 1 2 3 5 5 4 3 1 2 8 16 27 36 34 26 16 4 2 7 16 29 39 36 24 14 4 1 2 6 13 19 19 13 8 2 3 9 20 39 56 55 38 20 5 2 9 22 48 70 63 38 19 5 1 3 10 24 37 33 19 10 3 2 9 25 52 73 74 52 23 5 2 11 33 71 94 85 51 22 5 1 5 17 38 50 44 25 11 3 2 11 31 61 82 77 49 19 3 3 17 46 83100 84 50 19 4 2 10 26 45 54 45 27 11 2 3 12 30 56 73 62 31 9 1 4 19 44 74 84 67 34 11 2 3 12 25 42 47 40 23 9 2 2 9 20 38 49 36 15 4 1 4 15 31 51 59 43 19 5 1 3 11 20 33 38 30 16 6 1 2 6 11 19 23 15 6 2 0 3 11 20 31 35 23 10 3 1 3 9 16 24 28 21 11 4 1 0 2 4 6 6 4 1 1 0 1 3 8 11 12 7 3 1 0 1 3 8 10 13 10 5 1 0 !Region 3: Section 7->9 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 0 0 1 2 3 4 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 7 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 9 10 8 4 1 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 2 5 9 13 13 10 5 1 0 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 1 4 6 10 14 14 10 5 1 0 1 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 2 5 7 11 13 12 9 5 1 1 2 2 3 4 4 3 2 1 0 0 0 0 0 1 1 1 0 2 6 8 11 12 11 8 4 1 1 3 3 4 4 4 4 3 1 0 1 1 1 1 1 1 1 0 1 3 4 6 9 9 5 1 0 0 2 2 2 3 4 3 1 0 0 0 0 0 0 1 1 0 0 I/Sigma = 58.70 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 4 Sum = 13899.2; Maximum = 174.215; FM = 0.633 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 6 10 8 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 1 0 11 23 22 12 5 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 10 24 23 16 7 3 2 1 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 9 22 25 18 9 4 2 1 0 0 1 1 0 0 0 0 0 0 1 2 2 1 1 1 1 1 1 7 17 20 17 10 5 2 1 1 0 1 1 1 0 0 0 0 0 1 2 1 1 1 1 1 1 1 4 12 15 15 9 5 2 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 3 7 10 11 7 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 2 5 7 8 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 1 0 0 !Region 4: Section 4->6 22 33 23 13 8 4 1 0 0 23 34 24 16 11 7 4 1 0 7 11 10 8 6 7 5 2 1 38 74 68 42 20 8 4 1 0 40 71 69 51 31 16 8 3 1 12 22 25 25 21 14 10 5 2 38 82 80 59 30 13 6 2 1 41 83 87 73 48 25 14 5 1 13 28 33 35 32 21 14 8 2 36 77 88 72 40 19 7 3 1 39 82100 93 65 37 19 8 2 13 29 40 46 43 30 20 10 4 27 62 76 73 45 24 11 4 1 31 70 92 98 74 47 25 9 2 11 27 41 52 51 39 25 11 4 17 45 61 63 43 26 14 5 1 22 54 79 88 73 53 32 12 3 9 23 39 49 54 45 30 14 4 12 29 44 48 38 26 14 5 1 15 39 60 69 70 55 36 14 3 7 19 31 40 54 47 35 15 4 7 20 31 38 32 23 13 5 1 10 28 43 57 63 49 33 13 3 5 14 24 35 51 44 35 17 5 3 8 11 13 11 10 5 2 0 4 10 15 21 24 20 10 7 1 2 5 8 14 22 19 9 9 3 !Region 4: Section 7->9 0 1 2 2 2 3 4 2 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 4 5 7 7 7 5 3 0 1 1 1 2 2 3 2 2 0 0 0 0 0 0 0 0 0 2 3 4 7 9 9 8 6 4 1 0 0 1 2 2 3 3 2 1 0 0 0 0 0 0 0 0 1 2 5 9 12 11 11 8 5 0 0 0 1 1 2 3 4 3 0 0 0 0 0 0 0 0 0 1 3 6 11 15 15 14 9 5 0 0 1 2 2 3 4 4 3 0 0 0 0 0 0 1 0 0 1 3 7 12 18 17 15 12 5 0 1 1 2 3 3 4 6 3 0 0 0 0 0 0 0 1 1 1 4 7 11 18 18 17 11 4 0 1 1 2 3 3 5 5 3 0 0 0 0 0 0 0 1 1 2 3 5 9 16 16 18 14 6 0 0 1 1 2 2 5 7 4 0 0 0 0 0 0 0 1 1 1 1 1 3 8 8 7 8 4 0 0 0 0 1 2 3 4 2 0 0 0 0 0 0 0 0 0 I/Sigma = 26.04 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 5 Sum = 3161.62; Maximum = 38.6845; FM = 0.489 !Region 5: Section 1->3 0 0 0 1 0 1 1 0 1 0 0 1 1 0 1 1 -1 1 1 7 4 2 1 1 1 0 0 0 0 -1 1 1 1 2 0 1 0 0 -1 2 3 2 3 0 0 7 21 12 7 4 3 2 0 1 0 0 1 0 1 0 0 -1 0 1 1 1 1 1 1 1 -1 0 12 27 19 12 7 4 1 -1 0 0 1 1 1 0 1 1 1 1 1 3 1 2 0 1 1 1 1 15 30 24 16 8 4 3 1 0 1 2 1 2 0 1 2 0 -1 2 3 2 4 0 1 4 1 -2 18 32 25 22 11 5 5 2 0 1 2 2 1 0 2 3 1 1 3 6 4 3 0 3 6 3 1 17 32 24 21 12 6 5 3 0 0 3 2 0 0 0 0 0 1 1 6 4 1 0 0 1 1 1 11 28 22 17 13 5 4 1 1 0 2 2 -1 1 2 0 -1 0 1 4 4 -1 2 3 0 -1 0 7 20 17 11 12 6 3 1 0 0 0 1 0 0 0 0 0 0 1 1 2 0 1 0 1 -1 0 3 7 8 5 6 3 2 0 0 !Region 5: Section 4->6 4 21 12 5 3 2 2 0 0 3 16 10 5 4 2 2 2 1 1 4 2 3 5 3 3 3 1 25 61 39 21 11 5 2 0 0 21 47 32 20 14 7 3 1 1 5 12 11 10 11 8 8 3 1 38 78 56 38 22 10 1 -1 0 32 62 47 36 24 12 3 1 0 8 14 16 19 18 14 10 5 1 47 90 76 51 28 14 9 3 0 41 74 66 49 31 17 11 5 0 10 18 23 29 26 18 15 8 2 55100 79 66 38 17 10 6 1 48 88 71 62 44 25 13 8 2 13 26 26 33 39 33 21 11 4 48 93 79 69 43 21 11 7 1 43 82 77 70 52 33 19 10 4 13 25 32 45 46 46 34 17 6 33 77 68 57 45 21 13 3 1 30 68 70 64 54 37 24 10 2 8 20 36 48 49 53 42 23 6 22 56 53 42 39 22 11 5 2 21 52 56 48 47 41 24 13 3 6 18 29 35 44 59 48 34 7 7 20 24 17 19 12 5 1 1 7 19 25 21 23 19 12 4 1 2 6 13 17 21 24 24 15 3 !Region 5: Section 7->9 0 1 -1 3 5 4 4 3 1 0 0 0 2 3 3 1 1 0 0 0 1 1 1 1 -1 0 0 1 2 5 6 9 9 10 5 2 0 -1 0 1 4 4 4 3 1 0 -1 -1 0 2 2 1 1 1 1 2 6 10 12 14 12 8 3 0 0 1 4 3 5 5 4 3 0 0 1 3 1 1 1 2 0 2 3 9 17 17 15 17 9 3 1 1 2 5 4 4 6 4 2 1 1 1 3 2 0 0 1 0 4 7 9 20 26 27 25 13 4 2 1 1 6 7 9 10 7 2 1 0 0 2 3 3 2 2 1 4 7 14 29 30 36 32 20 6 1 1 2 7 5 9 10 8 2 0 0 -1 0 0 2 1 1 1 1 6 18 29 32 38 38 28 7 0 2 4 5 7 8 11 10 2 0 2 0 0 1 2 2 1 0 2 4 13 19 27 42 42 40 9 1 1 2 3 4 7 12 14 3 0 1 -1 0 -1 -1 1 1 0 1 1 5 7 12 17 20 19 5 0 0 0 0 1 4 5 8 2 0 0 -2 0 0 0 0 1 0 I/Sigma = 25.65 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 6 Sum = 3024.23; Maximum = 29.7871; FM = 0.487 !Region 6: Section 1->3 1 -1 -2 1 0 1 1 0 -1 1 0 -2 1 1 1 1 0 0 3 6 2 2 3 1 1 1 1 1 -1 1 2 0 0 0 0 0 1 1 2 2 1 0 0 1 1 6 15 11 5 4 2 1 2 1 0 0 1 1 0 1 1 2 1 -1 1 4 2 1 1 4 2 1 7 18 17 6 3 2 5 3 1 -2 -1 2 3 1 -2 0 0 1 1 0 2 4 3 0 1 2 0 15 20 13 10 5 2 2 2 0 1 1 1 2 2 1 -1 0 0 1 2 3 2 3 0 -1 0 -1 16 26 20 11 6 2 -1 1 1 1 1 1 1 -1 0 1 -1 -1 1 2 5 1 0 -1 0 0 -1 15 29 25 11 5 3 0 2 0 0 -1 3 2 0 1 1 0 -1 1 2 6 3 1 1 1 1 -1 12 24 25 12 7 2 -2 2 -1 2 0 1 1 0 2 0 0 0 2 1 3 2 0 2 0 1 1 9 21 19 11 4 4 -1 3 2 0 -1 0 -1 -1 0 -1 0 0 1 -1 0 0 -1 1 0 0 0 2 5 5 4 1 4 0 0 1 !Region 6: Section 4->6 5 13 7 4 4 2 1 1 1 4 11 10 5 5 5 5 3 2 2 6 6 8 10 10 11 8 4 13 30 23 11 7 5 2 4 2 11 25 23 15 13 14 12 9 4 4 14 17 21 28 34 36 24 10 18 39 32 16 9 5 6 4 2 16 34 36 23 22 19 17 12 7 7 23 32 32 43 47 45 30 18 29 44 34 23 12 6 6 6 4 24 43 46 35 30 23 24 19 7 12 31 43 47 63 63 63 45 18 31 54 44 28 17 9 1 5 3 24 49 53 43 41 34 25 22 7 11 31 50 59 76 85 79 63 24 32 60 52 31 21 14 6 5 1 29 59 63 52 49 45 34 23 7 16 39 58 69 86100 98 70 22 27 51 51 30 20 10 4 5 0 27 53 58 49 41 40 32 21 7 15 37 52 60 78 96 85 60 25 19 45 41 28 15 11 3 7 4 19 44 46 41 36 35 27 22 11 13 32 39 47 72 85 78 60 30 4 15 12 12 5 7 1 1 2 7 17 14 18 17 15 11 8 4 6 16 13 23 34 32 35 27 11 !Region 6: Section 7->9 1 3 1 6 9 9 9 8 3 0 0 0 1 1 2 2 3 1 0 -1 0 0 0 0 0 0 0 -1 5 9 16 24 29 35 23 9 -2 0 1 2 4 6 10 7 2 -1 -1 0 0 -1 0 2 0 0 2 12 19 24 35 42 43 30 16 1 3 4 5 7 9 12 10 3 0 0 0 0 -1 1 1 1 0 4 15 23 35 55 61 62 42 17 0 2 3 8 13 17 18 12 4 -1 -1 -1 -1 1 1 1 1 0 2 15 29 44 62 75 75 60 23 -1 2 5 9 14 16 19 15 6 -1 -1 -1 0 0 0 1 1 0 6 18 35 48 68 83 91 68 23 1 2 8 10 14 18 24 18 6 0 -1 1 0 1 1 2 1 0 6 18 30 41 64 82 79 58 26 2 3 7 8 14 19 22 15 7 0 0 1 0 1 1 2 1 0 6 16 21 33 60 72 72 58 29 1 2 4 8 15 15 18 17 8 0 0 0 1 3 0 1 3 1 3 9 8 16 28 27 34 28 10 0 1 2 5 7 6 9 9 3 0 0 0 1 2 1 1 1 0 I/Sigma = 21.79 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.586 Region 7 Sum = 2160.59; Maximum = 25.9554; FM = 0.604 !Region 7: Section 1->3 -1 0 0 1 0 -1 0 0 1 0 1 1 1 0 -1 0 0 1 1 2 2 2 1 0 1 0 0 0 0 0 2 2 0 0 -1 0 0 2 1 3 3 1 0 -1 1 2 4 4 2 4 3 1 -1 0 0 1 0 1 -1 -2 1 -1 -1 0 1 2 2 1 1 1 0 0 1 4 4 3 4 3 1 1 1 -1 -1 -1 -2 -1 0 0 -1 0 -1 -1 0 -1 0 2 1 0 0 1 3 5 3 2 5 3 0 -1 0 -1 -3 -1 0 0 -2 -1 0 0 -1 -1 0 0 0 -1 -1 0 2 4 4 2 -2 2 0 0 0 0 -1 -2 -1 -1 -1 -1 -2 -2 0 0 0 -1 -1 0 0 -1 -1 3 6 4 1 0 1 1 2 2 0 2 -2 0 0 -1 -1 -3 -1 0 2 -2 0 0 0 -1 -2 0 2 8 2 2 2 2 1 2 1 0 -1 1 0 -2 1 -1 -2 0 0 1 1 0 -1 1 0 -2 0 5 11 4 3 1 1 0 -1 1 0 0 0 0 -1 0 1 0 0 0 0 0 0 0 1 1 1 0 3 4 2 0 1 2 1 -1 1 !Region 7: Section 4->6 2 3 3 2 2 2 2 0 -1 4 5 9 11 11 11 11 5 2 5 5 11 15 14 17 15 8 4 3 7 7 5 7 6 4 0 0 3 13 22 29 36 31 24 13 6 3 13 24 36 46 44 33 20 9 2 7 8 10 9 7 5 3 2 5 20 29 41 43 40 28 21 8 5 23 34 49 55 57 40 29 11 3 10 12 12 11 9 6 2 0 7 30 43 56 59 50 36 22 6 8 31 49 67 76 71 53 34 11 5 14 15 14 9 9 4 2 1 11 38 55 65 69 56 36 25 8 11 38 61 79 94 84 63 43 15 8 16 15 13 9 8 6 5 3 15 41 59 70 68 59 40 28 8 12 41 70 92100 96 69 48 16 7 19 14 12 8 7 5 3 1 14 41 53 65 63 54 36 24 8 14 45 66 92 99 92 64 47 21 10 21 15 9 6 3 0 -1 1 13 40 56 53 49 37 20 16 7 12 45 72 82 83 70 46 39 18 5 9 7 2 2 3 0 -1 1 4 19 26 21 23 15 6 7 4 4 21 37 34 39 32 18 17 8 !Region 7: Section 7->9 0 1 4 6 5 8 6 5 3 0 0 -1 1 0 2 2 1 0 0 0 -1 0 0 0 1 -1 0 1 4 7 13 15 20 16 12 6 1 0 -1 1 0 5 7 5 3 1 -1 -2 0 0 2 4 1 2 1 7 11 16 21 25 19 16 6 0 1 0 2 3 4 6 8 4 0 0 -1 1 2 1 3 4 3 2 9 14 23 31 33 27 21 8 0 1 0 3 9 7 9 10 5 0 0 0 1 4 1 4 4 1 3 10 20 29 40 45 40 30 12 1 1 6 4 7 10 13 13 7 0 1 4 1 1 1 4 3 3 3 12 26 38 48 54 42 32 15 2 2 5 6 7 13 12 13 9 1 2 3 0 0 3 3 3 3 4 16 28 44 50 52 39 33 18 1 2 6 10 10 10 11 12 7 0 -1 2 3 2 2 3 3 2 5 19 31 42 45 44 33 31 17 0 4 5 9 9 9 9 11 8 0 0 1 4 2 2 1 2 3 2 9 17 18 21 23 14 14 7 0 1 3 5 4 6 3 5 4 0 0 1 2 1 1 0 1 1 I/Sigma = 34.38 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 8 Sum = 5753.69; Maximum = 61.7319; FM = 0.726 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 2 3 2 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 1 2 1 0 0 0 1 2 0 4 7 6 5 4 2 2 3 1 0 -1 0 0 -1 0 0 1 1 0 2 2 0 0 0 0 1 0 3 9 7 6 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 4 9 8 6 4 2 2 1 0 0 0 1 0 0 0 0 0 0 1 1 2 1 0 0 0 1 1 4 8 9 7 5 1 1 2 1 0 1 0 0 0 0 0 0 0 0 2 2 1 0 0 1 1 1 3 8 9 8 4 2 2 2 1 0 0 0 1 0 0 1 2 1 1 1 1 1 0 0 2 1 1 2 5 7 6 3 1 2 2 1 0 0 0 0 -1 0 1 1 0 0 1 1 0 0 1 2 1 0 2 6 5 4 2 2 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 2 1 2 2 1 1 1 0 !Region 8: Section 4->6 3 7 9 10 11 8 5 4 1 3 8 17 24 29 26 17 12 2 2 5 13 21 30 31 23 15 3 5 14 22 27 25 16 11 7 2 6 19 42 57 68 54 38 23 6 4 13 32 49 71 69 54 33 10 7 20 26 31 29 18 9 6 2 9 28 52 71 82 61 36 21 7 6 18 41 62 85 77 55 35 12 10 26 36 38 32 21 11 5 2 12 38 72 90 93 67 40 20 5 7 24 54 77 96 82 59 35 10 11 30 41 43 36 20 11 4 2 14 47 82100 95 62 35 15 4 9 31 62 85 94 75 53 29 10 11 31 45 45 33 19 9 4 1 17 51 91 97 84 58 28 12 3 11 33 67 79 84 69 44 25 9 9 26 41 38 26 13 6 4 1 15 46 85 83 67 41 19 11 3 10 30 63 68 66 51 32 22 8 9 23 30 29 20 9 4 2 0 13 40 61 62 49 27 13 7 2 8 26 45 50 50 38 25 15 6 2 9 9 12 10 3 2 1 0 4 17 19 25 24 9 5 2 0 3 12 15 21 23 14 11 5 3 !Region 8: Section 7->9 1 1 3 6 12 17 15 11 3 0 1 1 1 3 5 5 6 2 0 1 0 0 0 1 0 1 0 1 3 9 16 30 39 36 26 10 0 0 2 3 7 11 12 13 5 0 0 0 0 0 1 1 2 1 1 4 12 20 35 44 41 31 13 0 1 3 4 7 13 16 14 6 0 0 1 0 0 1 2 2 1 1 5 13 23 39 44 43 34 11 0 1 2 4 9 12 15 16 5 0 0 0 0 1 1 1 2 1 2 7 14 25 38 42 39 32 14 0 1 2 5 9 13 14 16 8 0 0 0 1 1 1 1 2 1 3 7 15 24 35 39 37 30 13 1 2 3 5 9 12 15 15 7 1 1 1 1 1 1 1 1 1 3 7 15 21 30 32 28 25 10 1 2 3 5 8 12 12 13 5 0 0 1 1 2 2 1 1 0 1 6 12 17 24 28 23 18 7 0 1 3 5 7 10 9 8 3 0 0 1 1 1 1 1 1 0 1 3 5 7 9 10 12 6 4 0 0 1 2 2 4 6 2 2 0 0 0 0 0 0 1 0 0 I/Sigma = 131.25 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.079 Region 9 Sum = 88006.5; Maximum = 1823.97; FM = 0.834 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 1 0 0 0 2 6 11 12 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 1 6 12 17 13 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 1 4 11 17 15 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 1 0 0 1 3 7 13 13 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 2 4 7 9 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 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 !Region 9: Section 4->6 1 4 8 14 13 4 1 0 0 1 5 15 28 30 10 3 1 0 0 3 11 20 23 11 4 1 0 2 11 25 36 30 15 5 2 0 2 13 40 64 61 35 14 3 0 1 9 29 45 47 30 13 4 1 3 13 31 50 46 25 8 2 0 3 18 52 83 86 54 20 5 1 2 14 38 58 63 43 18 5 1 2 12 32 52 55 34 12 3 0 3 20 54 88100 65 24 6 1 2 16 40 64 73 49 21 6 1 2 9 23 42 50 34 13 3 0 2 14 41 75 91 64 27 7 1 1 10 31 57 66 47 22 7 1 1 5 13 27 35 25 11 3 0 1 6 23 50 64 46 22 7 1 1 4 17 37 45 33 18 7 1 1 2 6 14 19 14 7 3 0 1 3 10 25 34 26 14 5 1 0 2 6 17 23 19 12 5 1 0 1 2 5 7 6 4 2 0 0 1 3 9 14 13 8 3 0 0 1 2 6 9 9 6 3 1 0 0 0 1 2 1 1 0 0 0 0 1 2 3 3 2 1 0 0 0 0 1 2 3 2 1 0 !Region 9: Section 7->9 0 1 3 5 6 5 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 12 13 10 5 2 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 5 10 15 19 15 7 3 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 5 11 18 22 18 10 4 1 0 0 1 2 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 3 9 16 19 16 10 4 1 0 0 1 1 3 4 3 2 0 0 0 0 0 0 0 0 0 0 0 1 4 10 12 11 8 4 1 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 4 6 6 5 3 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 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 ................ 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)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 201 0 201 5.6648 0.8864 15.643 120.860 Orientation ('UB') matrix: 0.1435260 0.0361630 -0.0041311 0.0303867 -0.0026386 0.0770947 0.0664092 -0.0769495 -0.0045850 A B C Alpha Beta Gamma Vol 6.2519 11.7558 13.0176 90.000 96.664 90.000 950.29 0.0006 0.0007 0.0007 0.000 0.004 0.000 0.16 Corrected for goodness of fit: 0.0015 0.0017 0.0017 0.000 0.009 0.000 0.39 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.139 96.192 24.507 Goniometer zeros (deg): 0.0000* 0.0177 0.0000* -0.0043 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.6138 -0.1397 0.0661 -0.1211 -0.1628 0.8314 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.24729e+04 3.55083e+03 2.47 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 193 Average input ESD (pix, pix, deg): 0.17066 0.12413 0.05316 Goodness of fit: 2.82854 2.29167 2.14390 Average missing volume: 0.058 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:26:11 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.33% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %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 15 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 2_0003 4 0.16 0.17 -0.10 0.20 0.22 0.11 23859 41 0 0.29 26 0.78 0.78 2.27 1.000 3_0004 9 0.00 0.04 -0.01 0.21 0.09 0.08 28731 41 0 0.55 29 0.78 0.78 2.27 1.000 4_0005 5 0.26 -0.04 -0.00 0.54 0.25 0.10 45018 57 0 0.73 29 0.78 0.78 2.27 1.000 5_0006 5 0.08 0.22 -0.16 0.19 0.25 0.41 7444.1 18 0 0.70 34 0.78 0.78 2.27 1.000 6_0007 9 -0.01 0.04 -0.01 0.29 0.06 0.10 22738 38 0 0.66 25 0.78 0.78 2.27 1.000 7_0008 8 -0.04 -0.02 0.08 0.34 0.25 0.30 70748 61 13 0.64 28 0.78 0.78 2.27 1.000 8_0009 5 0.41 0.12 -0.09 0.73 0.23 0.16 63090 67 0 0.73 27 0.78 0.78 2.27 1.000 9_0010 9 0.17 -0.08 -0.09 0.27 0.29 0.19 32486 45 11 0.70 27 0.78 0.78 2.27 1.000 10_0011 9 0.35 0.20 0.01 0.93 0.54 0.11 55176 57 11 0.62 28 0.78 0.78 2.27 1.000 11_0012 15 0.01 0.01 -0.01 0.11 0.07 0.13 63316 68 0 0.73 33 0.78 0.78 2.27 1.000 12_0013 9 0.33 0.05 -0.04 0.84 0.38 0.21 16140 26 11 0.64 26 0.78 0.78 2.27 1.000 13_0014 12 0.01 0.05 -0.03 0.20 0.13 0.12 23206 35 0 0.73 28 0.78 0.78 2.27 1.000 14_0015 13 -0.11 -0.01 0.11 0.31 0.11 0.14 32469 45 15 0.69 26 0.78 0.78 2.27 1.000 15_0016 7 0.09 -0.08 -0.03 0.14 0.13 0.08 55403 64 0 0.77 36 0.78 0.78 2.27 1.000 16_0017 8 -0.02 0.03 0.07 0.16 0.07 0.15 32628 41 0 0.76 28 0.78 0.78 2.27 1.000 17_0018 13 0.03 -0.07 0.04 0.14 0.11 0.17 26079 38 0 0.68 28 0.78 0.78 2.27 1.000 18_0019 5 0.17 0.11 0.00 0.30 0.26 0.04 92321 102 0 0.75 33 0.78 0.78 2.27 1.000 19_0020 11 0.15 -0.12 0.23 0.44 0.26 0.67 21406 34 9 0.67 27 0.78 0.78 2.27 1.000 Background pixels updated = 92.63% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 5 0.33 0.05 -0.15 0.46 0.22 0.22 25528 38 0 0.78 25 0.78 0.78 2.27 1.000 21_0022 5 0.05 -0.15 -0.07 0.23 0.19 0.07 19949 36 0 0.62 31 0.78 0.78 2.27 1.000 22_0023 9 -0.09 0.03 0.14 0.21 0.10 0.28 47696 72 0 0.73 34 0.78 0.78 2.27 1.000 23_0024 12 -0.01 -0.02 0.01 0.19 0.14 0.13 75704 72 8 0.74 28 0.78 0.78 2.27 1.000 24_0025 7 0.23 -0.05 -0.04 0.54 0.16 0.12 39725 53 0 0.77 29 0.78 0.78 2.27 1.000 25_0026 7 0.04 -0.06 0.01 0.09 0.07 0.05 94024 81 0 0.68 28 0.78 0.78 2.27 1.000 26_0027 11 0.08 -0.07 -0.07 0.12 0.13 0.09 44942 48 0 0.74 28 0.78 0.78 2.27 1.000 27_0028 9 0.03 -0.09 0.03 0.12 0.13 0.08 36133 51 0 0.76 29 0.78 0.78 2.27 1.000 28_0029 20 0.07 -0.04 -0.03 0.21 0.10 0.11 28852 41 0 0.70 28 0.78 0.78 2.27 1.000 I/Sigma = 53.46 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.061 Region 1 Sum = 14746.8; Maximum = 133.262; FM = 0.734 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 9 7 5 2 1 1 0 0 6 34 30 21 8 4 2 1 0 0 0 1 1 0 0 0 0 0 3 8 8 6 3 2 1 1 1 10 33 33 24 13 6 3 2 1 0 1 1 1 0 0 0 0 0 2 11 11 8 4 2 1 1 0 12 50 54 40 22 9 4 2 1 0 1 1 1 0 0 0 0 0 3 10 11 8 5 2 1 1 0 12 47 52 40 24 11 5 3 1 0 0 0 0 0 0 0 0 0 2 6 8 6 4 2 1 1 0 10 36 43 34 20 9 4 2 1 0 1 1 1 0 0 0 0 0 1 6 8 7 4 2 2 1 1 8 33 43 39 25 12 5 3 1 0 1 1 1 0 0 0 0 0 1 3 4 4 2 1 1 1 1 5 17 23 21 13 7 3 2 1 0 1 1 1 0 0 0 0 0 1 2 3 3 2 1 1 1 1 3 13 17 15 10 6 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 3 3 4 2 1 1 0 !Region 1: Section 4->6 8 38 39 34 21 12 5 3 1 4 15 25 34 32 23 14 9 3 1 4 11 19 23 20 21 14 4 13 48 53 45 33 21 13 7 2 9 35 47 52 51 45 36 19 5 3 13 22 32 41 47 44 26 5 19 75 88 73 55 35 17 9 2 12 48 67 77 83 76 49 27 6 4 16 31 51 70 78 65 39 7 18 72 86 80 64 40 21 11 3 12 48 69 89 96 78 53 30 7 4 16 29 50 68 75 66 43 8 17 65 85 76 54 35 20 11 3 13 51 80 93 90 84 62 39 9 5 20 38 62 84100 92 60 10 14 59 79 77 59 38 20 11 3 10 44 63 78 80 73 55 33 7 4 15 25 44 62 78 75 51 10 9 33 46 49 42 31 15 8 2 7 27 42 59 69 69 49 31 6 3 10 19 37 58 74 73 54 10 6 25 36 38 32 22 12 7 2 5 21 33 47 52 49 39 26 5 2 8 15 29 44 58 62 49 9 1 5 10 9 9 9 6 3 1 1 8 15 13 15 21 19 14 2 1 4 7 9 15 27 32 27 4 !Region 1: Section 7->9 1 2 3 6 7 7 12 10 3 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 1 2 5 10 16 22 24 18 4 0 0 1 2 2 3 5 6 3 0 0 0 0 1 1 1 1 1 1 4 9 17 27 34 35 24 6 0 1 1 2 3 4 6 7 4 0 0 0 0 0 1 1 2 1 1 3 7 15 24 34 38 29 7 0 1 1 3 4 6 8 9 4 0 0 0 0 1 1 1 2 1 1 5 9 20 34 47 52 39 9 0 1 1 2 4 6 9 11 5 0 0 0 0 0 1 1 2 1 1 4 6 13 24 38 45 36 10 0 1 2 2 4 6 10 12 5 0 0 0 0 0 1 1 2 1 1 2 5 12 23 35 45 40 10 0 1 1 2 3 6 10 14 8 0 0 0 0 0 1 2 3 2 1 2 4 9 18 29 38 36 10 0 1 1 2 3 5 8 12 6 0 0 0 0 0 0 1 2 1 0 1 1 3 8 15 21 20 4 0 0 1 1 1 3 5 7 4 0 0 0 0 0 0 1 1 1 I/Sigma = 243.81 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 2 Sum = 268575; Maximum = 4061.64; FM = 0.933 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 3 2 2 1 0 0 0 1 6 14 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 3 2 1 0 0 3 11 28 32 16 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 5 2 1 0 1 4 14 35 44 29 10 3 1 0 0 0 0 0 0 0 0 0 0 1 2 5 7 6 3 1 0 1 6 19 36 49 43 21 5 1 0 0 0 0 0 0 0 0 0 0 1 2 4 6 6 3 1 0 0 4 13 28 41 40 21 5 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 0 0 0 2 9 23 34 30 13 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 5 16 24 17 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 5 8 5 2 1 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 0 0 !Region 2: Section 4->6 0 2 9 23 8 5 2 1 0 0 1 6 15 8 5 2 1 0 0 0 2 4 4 3 2 1 0 1 5 18 45 54 31 12 4 1 0 3 12 32 42 27 11 3 1 0 1 6 16 22 14 6 2 0 1 7 26 61 76 52 19 6 1 1 6 24 55 67 46 18 5 1 0 3 15 36 43 28 11 3 1 2 14 42 78100 88 42 10 1 1 13 47 84 99 83 39 10 1 1 9 33 58 64 50 23 6 1 1 9 34 63 84 80 43 10 1 1 13 48 79 91 81 42 10 1 1 10 40 66 70 57 30 8 1 1 7 26 57 76 65 28 5 1 1 10 37 71 85 70 33 8 1 1 9 29 58 68 54 28 9 2 0 3 15 44 63 45 15 3 0 1 5 19 51 73 55 22 5 1 1 5 16 38 58 48 24 8 1 0 1 4 14 24 15 5 1 0 0 2 7 19 31 23 10 3 1 0 3 7 18 27 26 15 6 1 0 0 2 5 8 5 2 1 0 0 1 2 6 10 6 4 1 0 0 1 2 5 8 6 7 2 1 !Region 2: 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 0 0 2 5 8 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 16 11 5 2 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 4 13 22 24 18 9 3 1 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 5 17 28 30 24 14 5 1 0 2 4 5 5 4 3 1 0 0 0 1 1 0 0 0 0 0 1 6 13 26 31 24 14 5 1 0 3 4 5 6 5 3 1 0 0 1 1 1 1 0 0 0 0 1 4 10 21 30 26 15 6 1 0 3 4 6 7 6 4 2 0 0 1 1 1 1 1 0 0 0 0 3 6 12 17 17 11 5 1 0 2 3 4 5 4 3 2 1 0 1 1 1 1 0 0 0 0 0 1 2 4 6 5 5 2 0 0 1 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 159.71 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.061 Region 3 Sum = 114213; Maximum = 1824.77; FM = 0.914 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 8 13 17 16 11 6 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 8 15 20 22 16 7 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 8 17 24 25 17 6 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 8 17 25 25 15 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 2 5 13 22 21 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 8 14 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 5 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 0 0 0 !Region 3: Section 4->6 1 3 7 14 15 12 8 3 0 0 2 6 13 15 12 8 3 0 0 1 2 4 6 7 5 2 0 3 9 18 31 39 36 25 12 2 2 7 17 31 41 37 24 12 2 1 2 7 14 21 20 13 7 2 3 10 22 41 55 55 39 16 3 2 9 25 51 69 63 38 16 3 1 4 13 29 42 36 20 10 2 2 9 26 53 71 69 46 17 2 2 11 37 74 95 84 49 20 3 1 6 23 46 59 50 28 13 2 2 10 29 59 76 72 43 13 1 2 16 47 86100 88 49 17 2 1 11 32 55 63 55 30 12 2 1 8 23 48 68 60 29 7 1 2 15 44 74 89 72 35 10 1 2 12 33 51 58 47 25 8 2 1 6 16 33 45 37 15 3 1 2 13 32 55 65 50 21 5 1 2 11 27 42 47 37 18 7 1 1 4 10 19 24 18 7 2 0 2 9 22 35 41 29 12 4 1 2 9 20 31 36 27 14 6 1 0 1 4 6 6 4 1 1 0 1 4 8 14 12 8 3 1 0 1 4 8 15 10 7 3 2 0 !Region 3: Section 7->9 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 0 1 3 4 5 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 9 8 6 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 13 13 9 5 1 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 3 8 13 16 16 11 6 1 0 1 1 2 2 3 3 2 1 0 0 0 0 0 0 0 0 0 1 4 9 14 17 16 11 5 1 0 1 2 3 3 3 3 2 1 0 0 0 0 0 0 0 0 0 1 5 10 14 17 16 11 6 1 0 2 3 3 4 4 4 3 1 0 1 1 0 1 1 1 1 0 1 5 10 14 16 15 11 5 1 0 3 4 4 5 5 4 3 1 0 1 1 1 1 1 1 1 0 0 3 5 9 5 4 3 2 1 0 2 2 3 2 2 1 1 1 0 0 0 1 1 0 0 0 0 I/Sigma = 58.08 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 4 Sum = 13744.5; Maximum = 188.431; FM = 0.738 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 3 9 7 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 0 0 0 0 4 18 23 17 9 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 4 18 24 22 13 6 3 1 0 0 0 0 1 0 0 0 0 0 1 2 2 2 1 1 1 1 0 3 15 21 22 15 7 4 2 0 0 1 1 0 0 1 1 0 0 1 2 2 2 1 1 1 1 0 3 11 17 19 15 8 5 2 0 0 1 1 1 0 0 0 0 0 1 2 1 1 1 1 0 1 0 2 7 10 15 12 7 4 2 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 5 7 10 9 6 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 4 7 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 1 2 3 2 1 0 0 !Region 4: Section 4->6 0 8 29 23 14 6 4 1 0 0 7 29 24 16 9 7 2 0 0 2 8 9 6 6 6 3 1 10 55 75 60 35 16 7 3 0 10 53 75 65 44 24 13 5 1 2 14 21 23 22 16 11 6 1 13 62 83 79 52 25 12 4 0 13 62 87 89 67 39 21 8 1 4 18 27 32 33 25 16 9 2 11 54 78 85 64 33 17 6 1 12 57 84100 86 52 31 12 2 3 17 27 39 44 34 24 13 2 9 39 61 74 65 38 21 8 1 9 43 70 92 91 61 40 17 2 3 15 26 40 49 42 32 15 2 6 26 43 61 54 37 24 10 2 6 30 54 80 78 64 46 21 3 2 11 23 38 45 47 36 19 3 4 17 28 43 43 34 24 11 2 4 21 37 57 65 62 49 24 3 2 9 17 28 41 47 40 23 3 2 11 19 29 32 27 21 9 1 3 14 25 40 51 51 43 21 2 1 7 12 21 34 42 38 22 3 0 5 6 11 13 11 8 3 0 1 6 8 16 21 22 14 9 1 0 3 5 9 15 18 13 8 1 !Region 4: Section 7->9 0 0 1 2 2 2 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 4 6 6 7 5 1 0 1 1 0 1 2 3 2 0 0 0 0 0 0 0 1 0 0 0 2 3 5 8 8 8 6 1 0 0 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 2 3 6 10 11 10 8 2 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 2 4 8 13 15 14 9 1 0 0 0 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 0 2 4 9 14 17 14 12 2 0 1 1 2 2 3 3 4 1 0 0 0 0 0 0 0 0 0 0 2 4 7 13 17 17 12 2 0 1 1 1 2 3 3 4 1 0 0 0 0 1 0 0 0 0 1 2 3 6 11 17 17 13 2 0 1 1 1 1 2 3 4 1 0 0 0 0 1 0 0 0 0 0 1 1 2 5 7 7 4 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 27.56 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 5 Sum = 3386.7; Maximum = 46.7512; FM = 0.654 !Region 5: Section 1->3 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 0 0 5 8 7 4 2 2 1 0 0 1 0 1 1 0 1 0 0 0 2 1 2 2 1 2 1 0 2 20 25 17 11 6 4 2 0 0 1 2 1 1 1 0 1 0 0 2 3 1 2 1 1 2 0 4 34 35 25 16 8 5 3 0 0 1 2 2 4 0 0 2 0 0 2 4 3 5 1 0 3 0 4 36 41 30 23 11 5 4 0 0 0 2 2 1 0 1 3 0 0 2 4 4 2 0 1 4 0 3 29 37 33 25 13 6 5 1 0 0 3 3 0 1 1 2 0 0 1 5 5 1 2 2 3 0 2 19 31 26 21 15 7 5 1 0 0 2 1 0 1 1 0 0 0 1 4 3 0 2 2 0 0 1 12 22 20 16 14 8 3 0 0 0 0 2 0 1 1 0 0 0 1 1 3 0 2 1 1 0 0 6 11 12 10 11 7 3 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 3 4 4 5 5 2 1 0 !Region 5: Section 4->6 1 13 21 17 10 6 4 1 0 1 8 14 12 9 6 3 1 0 0 0 3 5 5 5 3 4 1 6 51 63 45 29 18 9 2 0 4 36 42 32 24 17 9 3 0 1 5 8 10 13 15 11 9 1 11 87 85 66 41 22 12 7 0 7 58 56 47 35 22 13 8 0 1 7 9 15 22 21 15 11 1 11 92100 75 59 32 15 8 1 8 61 68 54 48 33 20 11 1 1 9 13 17 29 32 28 16 1 9 75 91 81 67 39 17 9 2 6 52 64 59 55 42 25 13 1 1 9 13 20 34 40 38 24 2 6 51 74 65 57 43 21 12 1 5 37 53 53 50 44 32 19 1 1 8 14 26 36 41 47 32 3 3 32 54 49 42 37 23 10 1 2 23 40 41 39 41 38 19 1 1 6 12 23 31 44 58 39 4 1 16 30 32 28 28 19 9 1 1 12 24 29 29 31 27 13 1 0 3 9 18 26 33 38 23 2 1 6 13 10 12 13 7 3 0 1 5 11 11 12 13 8 3 0 0 1 4 9 13 12 9 2 0 !Region 5: Section 7->9 0 0 1 3 3 4 3 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 3 7 8 10 9 9 1 0 1 0 1 1 2 3 4 1 0 2 0 0 0 1 1 2 1 0 2 3 7 14 14 12 12 1 0 2 1 2 3 2 3 5 1 0 2 1 1 2 1 0 1 0 1 4 5 9 20 21 22 15 1 0 2 1 2 5 4 6 4 1 0 1 0 1 2 2 2 0 0 1 3 6 12 24 25 30 22 2 0 0 0 2 5 3 7 6 1 0 -1 0 0 1 0 2 1 0 0 4 6 17 25 28 34 26 3 0 1 2 3 5 4 6 7 1 0 0 1 -1 0 -1 1 1 0 0 3 6 14 20 27 40 33 5 0 1 2 2 3 3 6 9 2 0 1 2 0 0 0 2 1 0 0 1 5 11 17 22 26 21 3 0 0 0 1 3 3 4 6 1 0 -1 -1 0 0 -1 0 1 0 0 0 2 6 10 8 6 2 0 0 0 0 1 3 2 1 1 0 0 0 -1 0 1 0 0 0 0 I/Sigma = 25.42 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 6 Sum = 2886.17; Maximum = 37.8786; FM = 0.653 !Region 6: Section 1->3 0 0 0 0 0 1 0 0 0 0 1 2 2 0 1 0 0 0 0 6 9 6 2 1 1 0 0 0 0 0 1 1 2 0 1 0 0 4 6 5 3 2 1 2 0 1 17 24 15 7 4 2 3 1 0 1 0 0 1 1 1 1 0 1 7 6 3 3 3 2 1 0 2 25 24 12 9 4 3 2 0 0 0 -1 1 1 1 1 0 0 1 8 7 7 3 3 1 0 0 3 29 30 22 12 4 4 1 0 0 1 0 1 0 0 0 0 0 0 7 9 10 4 2 0 -1 0 2 26 34 27 14 6 3 0 0 0 0 0 0 1 0 0 1 0 1 7 9 9 6 2 1 0 0 3 25 33 30 17 9 3 0 0 0 0 -1 0 1 0 0 1 0 0 5 7 6 4 2 2 1 0 2 17 27 23 14 8 4 0 0 0 1 1 1 1 0 0 1 0 0 4 5 5 3 1 2 1 0 1 10 16 13 8 5 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 1 0 0 0 3 6 3 3 2 2 1 0 !Region 6: Section 4->6 0 8 11 9 5 3 2 1 0 0 5 9 9 9 7 10 6 1 0 2 7 9 12 11 17 14 1 2 24 31 22 12 9 5 4 1 1 16 23 25 21 24 24 16 1 1 7 17 24 28 37 47 31 2 3 33 36 27 17 9 6 4 0 2 23 32 39 29 30 28 23 2 1 12 22 35 39 53 56 47 3 4 37 42 36 22 13 9 4 1 2 26 37 42 42 46 41 30 2 1 16 29 40 59 79 78 61 4 4 37 48 42 29 18 13 5 0 2 28 42 50 50 56 55 36 3 1 16 33 49 61 88 97 72 5 4 36 44 44 30 18 12 6 0 2 28 39 52 48 50 54 38 3 1 17 34 53 57 85100 71 5 3 24 36 34 24 15 9 4 0 2 21 34 39 35 42 44 31 2 1 15 30 38 41 71 85 62 4 1 14 22 20 15 11 10 4 0 1 15 23 25 27 30 34 22 1 1 13 22 27 35 48 63 46 3 1 6 7 7 7 4 3 3 0 1 6 7 12 13 10 14 10 1 0 4 6 13 17 15 26 17 1 !Region 6: Section 7->9 0 0 2 3 5 5 8 8 1 0 0 0 0 -1 0 1 2 0 0 0 0 0 -1 -1 1 1 0 0 2 6 10 13 18 24 18 1 0 0 -2 -1 -1 1 4 3 0 0 0 -3 -1 -2 0 3 0 0 0 3 8 13 18 27 31 27 2 0 0 0 1 2 3 4 4 0 0 0 -2 1 1 1 1 0 0 0 5 11 15 28 39 40 33 2 0 0 -1 0 4 4 4 5 0 0 1 -2 0 2 2 1 1 0 0 4 12 21 27 41 48 39 3 0 0 0 2 3 3 5 5 0 0 0 -1 -1 2 1 1 1 0 0 6 13 22 26 39 48 38 3 0 0 1 1 3 3 5 5 0 0 -1 0 0 2 1 2 1 0 0 5 11 15 19 34 41 34 2 0 -2 0 1 3 4 3 4 0 0 -3 -1 0 1 2 0 1 0 0 4 9 12 18 24 32 26 2 0 0 0 1 4 4 4 5 0 0 0 -1 0 2 1 1 2 0 0 1 3 6 8 7 12 8 1 0 1 1 2 2 1 1 1 0 0 1 0 1 1 0 0 1 0 I/Sigma = 23.98 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.513 Region 7 Sum = 2584.04; Maximum = 33.1663; FM = 0.787 !Region 7: Section 1->3 0 -1 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 2 2 2 2 2 0 0 0 0 0 0 0 0 1 1 1 0 0 2 2 2 3 2 3 0 0 0 4 5 4 4 2 4 0 0 0 0 0 0 -1 1 0 1 0 0 1 2 2 0 0 2 1 0 0 3 7 5 3 2 3 1 0 0 0 0 0 -2 -1 -1 1 0 0 2 3 3 -1 0 2 1 0 1 6 8 8 3 3 4 1 0 0 1 0 2 -1 -1 0 0 0 0 3 4 4 0 0 1 1 0 1 8 12 8 5 3 3 2 0 0 0 -1 0 0 0 -1 0 0 0 1 3 4 3 2 0 0 0 1 7 13 9 6 4 2 0 0 0 1 1 0 -1 -1 0 1 0 0 4 5 2 1 1 2 2 0 1 9 12 6 3 3 4 2 0 0 1 0 0 0 -1 0 1 0 0 4 3 1 1 1 2 2 0 0 6 7 5 4 3 3 2 0 0 0 0 0 0 -1 0 1 0 0 1 1 1 1 0 0 1 0 0 1 2 2 2 1 0 0 0 !Region 7: Section 4->6 0 4 6 8 8 9 5 1 0 1 5 9 16 18 22 13 4 0 0 2 5 8 11 15 11 4 0 1 7 15 20 22 18 16 6 1 2 11 25 38 46 46 41 19 2 1 5 14 21 30 35 37 17 2 2 12 24 28 32 25 26 14 1 4 22 42 54 69 64 65 36 4 2 13 24 31 46 50 54 32 3 3 22 34 39 44 36 27 16 2 5 36 57 74 93 85 71 44 4 3 20 31 44 60 64 62 42 4 4 33 48 50 46 39 28 16 1 7 51 77 95100 96 72 43 4 4 24 39 55 66 74 62 40 4 4 32 50 49 45 37 28 13 1 7 49 83 96100 89 70 37 3 4 25 45 59 71 68 57 37 3 4 31 44 43 35 27 20 9 1 7 50 72 83 80 67 54 26 3 4 26 40 51 57 54 50 27 3 2 17 29 32 26 18 13 5 0 4 29 51 63 55 45 33 14 1 3 17 29 39 41 37 29 14 1 0 2 10 12 9 7 4 1 0 1 5 18 22 21 16 12 4 0 1 4 11 14 17 13 10 5 0 !Region 7: Section 7->9 0 0 0 1 2 3 4 1 0 0 -1 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 3 5 9 16 7 0 0 -1 0 1 1 2 5 3 0 0 -1 1 0 1 0 0 1 0 0 4 3 5 11 16 19 14 1 0 2 0 2 4 3 4 6 1 0 0 0 1 1 -2 -1 2 0 1 4 5 6 13 18 24 20 2 0 2 2 0 2 4 6 8 1 0 0 0 0 -1 0 0 2 0 1 3 4 8 12 22 25 21 2 0 2 0 0 1 6 9 9 1 0 0 -1 -1 -1 2 2 1 0 1 6 5 11 19 20 19 20 2 0 1 0 2 5 6 6 7 1 0 -1 -1 0 1 2 2 1 0 1 3 6 9 17 17 19 16 2 0 -1 1 2 6 5 5 6 1 0 -1 0 0 2 1 2 1 1 0 2 5 7 12 11 10 8 1 0 0 2 1 4 2 2 5 1 0 0 1 0 0 -1 1 2 1 0 1 2 3 6 4 3 3 0 0 0 0 1 2 1 0 2 1 0 0 0 0 0 0 0 1 0 I/Sigma = 34.42 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.393 Region 8 Sum = 5603.07; Maximum = 72.3354; FM = 0.799 !Region 8: Section 1->3 0 1 0 0 0 0 0 0 0 1 2 1 1 1 0 1 0 0 1 4 3 3 3 2 1 0 0 0 1 0 0 0 0 0 1 0 2 4 2 2 2 0 1 2 0 3 9 8 8 6 3 2 2 0 0 0 1 1 1 0 0 1 0 2 3 3 2 2 1 1 1 0 3 11 10 10 7 4 3 1 0 0 0 1 1 0 0 0 0 0 2 3 3 2 1 1 1 1 1 4 11 13 12 7 4 3 1 0 0 0 1 1 0 0 0 0 0 1 2 3 3 1 0 1 1 0 4 12 16 15 10 5 3 1 0 0 0 1 1 1 0 0 1 0 1 2 4 3 2 1 2 2 0 4 13 18 17 11 5 4 2 0 1 1 1 1 1 0 1 1 0 1 3 3 3 2 1 2 2 0 3 13 16 16 11 4 2 2 0 0 0 0 0 0 0 0 1 0 1 2 2 2 1 1 1 2 0 3 12 12 12 8 3 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 4 5 5 3 2 1 0 0 !Region 8: Section 4->6 1 5 9 9 13 10 8 4 1 1 5 11 13 24 22 20 9 1 0 3 5 8 17 21 18 8 1 3 14 21 30 31 26 19 12 2 3 12 26 47 57 59 49 31 6 1 5 12 26 41 52 50 32 6 4 19 29 42 41 34 21 11 2 4 20 39 66 77 76 53 32 6 2 9 18 36 53 64 54 37 7 6 24 39 55 50 37 22 11 2 6 26 50 87 93 81 54 31 6 2 11 24 46 59 67 54 39 7 7 30 51 64 57 41 23 10 2 8 34 65 96100 84 51 27 5 3 14 29 50 61 66 49 33 6 8 36 56 67 51 34 20 8 1 9 40 69 95 84 68 44 21 3 4 16 30 48 52 54 42 25 4 7 33 51 60 45 25 13 5 1 8 37 62 83 70 50 31 14 3 3 15 26 40 41 40 31 18 3 6 28 36 43 31 18 8 4 1 7 28 43 59 48 35 18 10 2 2 11 17 29 29 26 18 12 2 1 7 15 19 11 7 2 1 0 1 7 18 28 16 14 5 3 1 0 3 7 14 10 11 5 3 1 !Region 8: Section 7->9 0 1 1 2 5 9 7 4 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 0 0 0 1 1 2 5 12 20 24 17 3 0 1 1 1 2 4 6 5 1 0 0 0 0 0 0 0 1 0 0 1 2 7 14 22 24 21 5 0 1 1 2 2 3 4 6 2 0 1 0 0 0 0 0 1 0 0 1 4 8 14 23 23 22 4 0 1 1 2 2 4 4 5 1 0 0 0 0 0 0 0 0 0 0 2 4 8 13 22 21 20 4 0 1 1 2 2 4 4 5 1 0 1 1 1 0 0 0 0 0 0 2 4 8 12 18 18 15 3 0 0 1 3 2 3 3 4 1 0 0 0 2 0 0 1 0 0 0 2 3 5 8 13 13 10 2 0 1 1 1 1 2 3 3 1 0 0 0 0 0 1 0 1 0 0 1 2 5 6 8 8 7 1 0 0 0 2 1 1 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 2 2 4 2 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 132.08 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.103 Region 9 Sum = 88786; Maximum = 1888.13; FM = 0.923 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 1 4 8 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 4 3 1 0 0 0 1 5 11 15 12 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 0 0 0 1 4 11 18 18 9 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 1 4 8 16 18 12 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 3 6 11 13 11 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 4 6 8 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 !Region 9: Section 4->6 0 2 5 6 5 4 2 1 0 0 2 8 10 9 8 4 1 0 0 1 5 6 6 6 4 1 0 1 6 15 25 23 13 5 2 0 1 6 20 42 44 27 11 3 1 0 3 12 26 29 19 9 3 1 1 8 24 43 44 26 10 3 0 1 9 33 68 74 49 20 5 1 1 5 19 40 45 32 15 5 1 1 9 27 52 60 41 15 4 1 1 11 41 79 97 71 29 8 1 1 8 25 46 58 44 21 7 1 1 8 25 48 62 49 20 5 1 1 11 39 77100 81 36 10 1 1 7 25 49 61 49 24 8 1 1 6 18 37 50 45 21 6 1 1 7 26 60 83 72 35 11 2 0 4 16 39 53 43 23 9 2 1 3 9 21 32 30 15 5 1 1 3 12 35 52 49 26 9 2 0 1 7 21 32 29 17 7 1 0 2 4 10 15 14 8 3 1 0 2 5 15 24 23 15 7 1 0 1 3 8 14 13 10 5 1 0 1 1 3 4 3 3 1 0 0 1 2 4 6 5 5 3 0 0 0 1 2 3 3 3 2 0 !Region 9: Section 7->9 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 5 3 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 10 9 5 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 10 14 12 7 3 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 6 11 15 14 9 4 1 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 1 4 9 13 12 9 5 1 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 1 5 7 7 7 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 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 ................ 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 (204 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 204 0 204 5.6654 0.8865 15.642 120.820 Orientation ('UB') matrix: 0.1435749 0.0361815 -0.0041177 0.0303134 -0.0026525 0.0770998 0.0665296 -0.0768734 -0.0045984 A B C Alpha Beta Gamma Vol 6.2485 11.7642 13.0160 90.000 96.636 90.000 950.38 0.0006 0.0006 0.0007 0.000 0.003 0.000 0.15 Corrected for goodness of fit: 0.0013 0.0015 0.0015 0.000 0.008 0.000 0.35 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.102 96.194 24.541 Goniometer zeros (deg): 0.0000* 0.0166 0.0000* -0.0006 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.6127 -0.1223 0.0657 -0.1490 -0.1554 0.8369 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.31485e+03 3.27992e+03 2.38 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 188 Average input ESD (pix, pix, deg): 0.15598 0.11947 0.05275 Goodness of fit: 2.83187 2.00516 2.09321 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.164 2.499 2.331 Average missing volume: 0.055 % with too much missing I: 3.526 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 ============= 10/26/2021 10:26:12 Current XYZ spot size: 2.164 2.499 2.331 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.303 0.289 0.333 Profile convolver halfwidth: 1.00 1.00 1.76 Background pixels updated = 92.09% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %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 15 0.00 0.00 2.95 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.95 1.000 2_0003 4 -0.08 -0.03 -0.05 0.11 0.05 0.05 46680 56 0 0.61 26 3.36 4.01 2.95 1.000 3_0004 9 -0.06 -0.00 -0.03 0.11 0.08 0.06 37249 46 0 0.66 29 2.47 3.12 3.01 1.000 4_0005 5 0.05 -0.06 -0.06 0.12 0.12 0.06 55852 62 0 0.82 29 2.36 3.20 2.97 1.000 5_0006 5 -0.23 -0.04 0.10 0.32 0.13 0.15 13649 24 0 0.77 27 2.64 3.36 3.01 1.000 6_0007 9 -0.21 0.00 -0.00 0.45 0.06 0.06 26906 42 0 0.74 32 2.59 3.36 3.01 1.000 7_0008 8 -0.09 -0.03 0.01 0.27 0.16 0.05 83781 68 0 0.71 28 2.62 3.55 3.05 1.000 8_0009 5 0.37 0.11 -0.14 0.66 0.24 0.19 83316 77 0 0.74 25 2.73 3.62 3.00 1.000 9_0010 9 0.12 -0.09 -0.05 0.22 0.16 0.09 36351 48 11 0.77 27 2.61 3.53 3.05 1.000 10_0011 9 0.28 0.10 -0.03 0.82 0.49 0.11 67110 63 11 0.71 28 2.66 3.59 3.06 1.000 11_0012 13 -0.01 -0.06 -0.03 0.14 0.21 0.09 28381 43 0 0.79 29 2.64 3.70 3.10 1.000 12_0013 11 0.34 -0.10 -0.10 0.72 0.31 0.16 89739 77 9 0.78 32 2.77 3.80 3.10 1.000 13_0014 12 -0.13 0.02 -0.04 0.41 0.23 0.07 30062 39 8 0.79 28 2.83 3.92 3.24 1.000 14_0015 13 -0.23 -0.09 0.06 0.58 0.23 0.12 40023 49 15 0.75 26 2.78 3.86 3.22 1.000 15_0016 7 0.11 -0.06 -0.03 0.16 0.12 0.11 60469 66 14 0.82 36 2.76 3.84 3.21 1.000 16_0017 8 0.07 -0.05 -0.01 0.33 0.19 0.09 39100 45 0 0.82 28 2.72 3.81 3.17 1.000 17_0018 13 -0.01 -0.05 -0.02 0.24 0.13 0.11 36261 44 0 0.75 28 2.72 3.84 3.21 1.000 18_0019 4 0.08 0.01 -0.02 0.15 0.08 0.06 127006 129 0 0.82 39 2.71 3.83 3.22 1.000 19_0020 11 0.10 -0.11 -0.03 0.41 0.26 0.15 26980 38 9 0.72 27 2.70 3.81 3.22 1.000 Background pixels updated = 91.96% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 5 0.09 -0.07 -0.12 0.23 0.08 0.16 29715 41 0 0.76 25 2.71 3.83 3.22 1.000 21_0022 5 0.01 -0.11 -0.08 0.19 0.19 0.09 29768 43 0 0.69 31 2.73 3.87 3.21 1.000 22_0023 9 -0.01 -0.04 0.02 0.38 0.13 0.08 54774 78 0 0.79 35 2.76 3.88 3.22 1.000 23_0024 12 -0.00 0.01 -0.02 0.28 0.22 0.07 89265 78 8 0.79 29 2.77 3.91 3.22 1.000 24_0025 7 0.21 0.03 -0.06 0.57 0.06 0.10 52778 60 0 0.83 29 2.79 3.93 3.22 1.000 25_0026 7 0.13 -0.10 -0.04 0.28 0.21 0.07 103994 87 0 0.74 28 2.78 3.94 3.22 1.000 26_0027 11 0.05 -0.02 -0.06 0.16 0.18 0.11 53468 52 0 0.80 28 2.78 3.96 3.22 1.000 27_0028 9 0.05 -0.09 0.05 0.12 0.16 0.16 46601 56 0 0.82 31 2.77 3.96 3.23 1.000 28_0029 20 0.08 -0.09 -0.02 0.43 0.25 0.07 40122 47 0 0.77 28 2.80 4.01 3.22 1.000 I/Sigma = 62.23 Thresh = 0.020 Blend = F #Contributing = 54 InitialProfileWt = 0.053 Region 1 Sum = 25517.1; Maximum = 837.775; FM = 0.891 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 2 3 1 1 1 1 0 0 1 4 7 3 2 1 1 0 0 1 1 1 1 0 0 0 0 0 2 5 6 3 1 1 1 0 0 3 12 19 8 2 1 1 0 0 1 1 1 1 0 0 0 0 1 2 7 10 4 1 1 1 0 1 4 23 41 19 4 2 1 0 0 1 1 1 0 0 0 0 0 0 2 5 9 5 2 1 1 0 1 4 20 46 27 5 2 1 1 0 0 0 1 0 0 0 0 0 0 1 2 3 2 1 1 1 0 0 2 7 17 13 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 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 !Region 1: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 3 8 6 3 1 1 0 0 1 2 5 7 4 2 1 0 0 0 1 2 4 4 2 1 0 0 2 11 24 16 6 2 1 0 0 1 5 17 21 11 3 1 1 0 1 2 7 14 11 4 1 0 1 5 28 62 44 13 3 1 0 1 3 15 48 64 33 7 2 1 0 1 4 21 51 39 9 2 1 1 5 30 81 67 21 4 2 1 0 4 20 69100 55 11 2 1 0 1 6 32 84 72 17 3 1 0 2 11 35 36 13 3 1 0 0 2 9 33 59 38 9 2 1 0 1 3 16 53 57 18 3 1 0 1 2 7 10 5 2 1 0 0 1 2 9 19 16 5 1 0 0 1 1 5 19 25 11 3 1 0 1 1 2 2 2 1 1 0 0 1 1 2 4 4 2 1 0 0 0 1 2 4 6 3 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 !Region 1: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 1 0 0 1 1 1 1 2 2 1 0 0 0 1 1 1 1 1 0 0 1 1 2 5 7 4 2 1 0 1 1 1 1 3 4 3 1 0 0 1 1 1 1 1 1 0 0 1 1 5 19 22 10 4 1 0 0 1 1 3 5 7 4 1 0 0 0 1 1 1 2 2 1 0 1 2 8 32 41 18 5 1 0 0 1 1 4 10 11 5 1 0 0 0 0 1 2 4 2 0 0 0 1 4 22 37 21 6 1 0 0 0 1 3 11 13 5 1 0 0 0 0 1 2 4 2 0 0 0 1 2 9 19 14 5 1 0 0 1 1 2 7 9 4 1 0 0 0 0 1 2 3 1 0 0 0 0 1 2 5 4 2 0 0 0 0 1 1 2 3 2 0 0 0 0 0 0 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 0 0 0 0 0 0 I/Sigma = 244.87 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 2 Sum = 299726; Maximum = 24107.2; FM = 0.783 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 0 1 11 29 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 0 1 15 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 4 14 4 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 2 4 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 21 54 13 1 0 0 0 0 1 16 44 11 1 0 0 0 0 0 9 23 6 0 0 0 0 0 1 35 99 29 1 0 0 0 0 1 40100 28 1 0 0 0 0 1 29 71 21 1 0 0 0 0 0 11 36 9 0 0 0 0 0 1 14 42 12 1 0 0 0 0 1 12 37 14 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 13 29 10 1 0 0 0 0 0 3 5 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 8 21 10 1 0 0 0 0 1 3 6 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 4 3 0 0 0 0 0 0 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 182.03 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.061 Region 3 Sum = 162759; Maximum = 11471.6; FM = 0.847 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 7 18 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 8 25 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 9 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 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 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 5 10 7 2 0 0 0 0 1 4 8 6 2 0 0 0 0 0 1 3 3 1 0 0 0 0 2 18 44 23 3 0 0 0 0 2 19 48 23 3 0 0 0 0 1 8 25 13 2 0 0 0 0 2 27 76 30 2 0 0 0 0 3 41100 36 2 0 0 0 0 2 27 61 22 2 0 0 0 0 1 13 32 9 1 0 0 0 0 3 25 50 13 1 0 0 0 0 3 22 39 13 1 0 0 0 0 1 3 4 1 0 0 0 0 0 1 7 10 3 0 0 0 0 0 2 9 13 6 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 3 4 2 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 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 15 8 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 16 8 1 0 0 0 0 2 4 5 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 2 8 11 6 1 0 0 0 0 1 5 6 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 5 4 1 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 74.15 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.230 Region 4 Sum = 27149.6; Maximum = 1044.45; FM = 0.854 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 3 3 2 1 1 1 0 0 1 2 5 5 2 1 1 0 0 0 1 1 1 1 0 0 0 0 1 2 3 2 1 1 1 0 0 1 3 8 12 5 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 3 11 24 14 3 1 0 0 0 0 0 1 1 0 1 0 0 0 1 2 2 2 1 1 1 0 0 2 6 17 17 5 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 1 0 0 1 2 5 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 3 2 1 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 2 4 2 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 7 13 7 2 1 1 0 0 1 6 12 8 3 2 1 0 0 1 1 3 3 2 1 1 0 0 4 19 35 18 4 1 1 0 0 3 16 33 20 7 2 1 0 0 1 3 8 9 6 2 1 0 0 6 33 78 53 10 1 1 0 0 5 30 78 63 17 3 1 0 0 2 7 21 27 14 5 1 0 0 3 20 65 74 24 3 1 0 0 3 20 72100 43 6 1 0 0 1 6 25 51 33 8 2 0 0 1 5 21 37 20 4 1 0 0 1 6 26 57 41 8 2 0 0 1 2 12 37 38 11 3 0 0 1 1 5 12 9 3 1 0 0 1 1 7 19 20 6 1 0 0 1 1 4 15 25 13 4 1 0 1 1 2 3 3 1 0 0 0 1 1 2 5 7 3 1 0 0 0 1 1 5 12 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 2 2 1 0 !Region 4: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 3 4 3 1 0 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 1 1 1 0 1 1 3 7 8 6 2 1 0 0 0 1 2 3 3 3 1 0 0 0 0 0 1 1 2 1 0 1 2 4 14 16 9 4 1 0 0 1 1 2 4 5 4 2 0 0 0 0 0 1 1 2 1 0 0 1 3 13 20 13 6 1 0 0 1 1 2 5 7 6 2 0 0 0 0 0 0 2 3 2 0 1 1 2 7 17 18 8 2 0 0 1 1 2 5 11 9 3 0 0 0 0 0 1 3 4 2 0 0 0 1 3 10 14 7 1 0 0 0 1 1 3 9 7 2 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 3 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.95 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 8232.9; Maximum = 271.104; FM = 0.764 !Region 5: Section 1->3 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 1 0 0 1 2 0 0 0 1 1 1 1 1 2 1 0 0 1 2 6 6 3 2 1 0 0 0 1 0 1 1 2 1 1 0 1 1 1 1 1 2 2 1 0 1 6 16 14 5 3 1 1 0 0 1 0 1 2 1 2 1 0 0 1 1 2 3 2 2 1 0 1 10 30 39 18 5 2 1 0 0 0 0 2 2 2 1 1 1 1 0 2 4 3 3 2 1 1 1 7 23 39 29 9 2 1 0 1 0 0 1 1 1 0 1 1 1 1 0 2 2 2 1 1 1 1 3 6 12 13 7 2 1 1 0 0 0 1 1 1 0 1 1 0 0 0 1 1 2 1 1 1 0 0 2 3 3 3 2 1 0 0 1 0 0 1 1 1 0 0 1 1 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 1 3 3 1 1 0 0 0 0 0 2 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 1 5 13 13 7 3 1 1 0 1 2 7 8 5 2 0 1 0 0 0 0 2 3 3 2 0 0 2 13 35 32 14 5 2 1 1 1 7 19 19 12 4 2 1 1 0 1 1 4 8 7 4 1 0 2 22 69 96 46 12 2 2 1 1 12 40 60 35 13 3 2 1 0 1 4 9 20 17 7 2 0 1 18 56100 76 24 5 2 1 1 11 35 68 61 32 8 2 1 0 2 6 15 38 46 18 5 0 1 6 16 31 36 20 5 2 1 1 4 10 24 33 28 11 3 1 0 0 2 9 27 45 31 8 1 1 1 4 7 9 8 4 2 1 0 1 2 5 9 10 8 3 0 1 1 0 2 7 18 25 10 1 0 0 1 2 2 3 2 1 0 0 0 1 2 2 3 3 2 0 0 1 0 1 2 5 8 5 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 !Region 5: Section 7->9 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 2 3 3 3 1 0 0 0 0 1 1 2 2 2 1 -1 0 0 0 0 1 1 2 1 0 1 0 2 6 7 6 2 0 0 0 1 1 1 3 3 3 1 0 -1 1 1 1 1 1 2 2 0 1 2 4 13 14 8 4 1 0 0 1 1 3 4 4 4 2 0 0 0 1 1 1 1 3 3 0 2 5 8 24 34 18 8 2 1 1 2 2 4 7 6 7 3 0 1 0 0 1 1 1 4 2 0 0 2 5 17 33 31 11 2 0 0 1 1 3 7 10 7 3 0 0 0 0 0 1 2 3 3 1 0 1 2 5 15 25 12 3 0 0 1 1 2 4 8 6 3 0 0 1 1 1 2 1 3 2 0 1 1 1 2 5 8 6 1 1 0 1 1 1 2 2 2 1 1 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 I/Sigma = 34.76 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 6 Sum = 7215.34; Maximum = 234.187; FM = 0.836 !Region 6: Section 1->3 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 3 3 2 1 2 1 1 0 1 3 4 4 3 2 1 1 1 0 1 1 1 1 1 1 0 0 1 4 6 3 2 2 1 1 1 1 8 12 8 5 2 1 2 1 0 1 0 0 1 1 1 0 0 1 4 7 7 4 2 2 2 1 2 11 23 27 12 4 4 2 1 1 1 0 0 0 1 1 0 0 1 6 6 10 6 2 2 1 1 2 12 25 39 22 5 4 2 1 0 1 1 1 0 1 0 0 0 1 3 2 5 3 2 1 1 1 1 6 8 16 12 5 2 2 1 0 0 0 0 0 1 0 0 0 1 1 0 1 1 3 1 1 0 1 2 1 3 4 4 2 2 1 0 1 1 1 0 1 0 0 0 1 1 2 1 0 1 1 0 0 0 0 1 1 1 2 1 1 0 0 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 6: Section 4->6 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 2 1 2 1 0 1 1 4 6 5 2 2 1 1 0 1 2 5 7 5 3 1 0 1 2 1 4 7 6 5 2 0 1 6 12 13 8 3 1 2 1 1 3 7 11 12 9 5 3 1 1 2 4 7 14 15 9 4 1 2 10 27 37 21 8 5 2 1 1 5 14 28 33 32 16 5 1 1 3 6 17 38 52 26 8 2 2 13 34 55 38 14 6 3 1 1 8 23 47 61 62 29 8 1 1 4 10 33 71100 52 14 2 1 7 13 24 22 11 5 3 1 1 5 11 24 37 40 22 8 1 1 3 7 20 43 63 40 14 2 1 2 3 6 7 6 3 2 1 1 2 4 8 12 14 8 4 1 0 1 3 7 13 19 16 8 2 0 0 2 2 2 2 1 1 0 0 0 2 3 3 3 2 1 0 0 0 2 3 3 4 4 2 1 0 0 1 1 1 1 0 0 0 0 1 1 0 1 1 0 0 0 1 0 1 0 1 1 0 0 0 !Region 6: Section 7->9 0 0 1 1 1 0 1 1 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 0 0 1 0 1 1 1 2 3 3 3 2 0 0 0 0 1 1 0 2 2 0 0 0 0 1 1 0 1 1 1 1 1 2 3 6 8 6 4 1 0 0 1 1 2 1 2 3 2 0 1 1 1 1 1 0 2 2 1 1 2 6 16 26 15 6 1 1 1 1 0 1 4 4 4 2 0 1 1 0 1 1 2 3 2 1 2 3 11 30 47 29 10 2 0 1 1 0 3 6 7 6 3 0 1 1 0 1 1 3 4 3 0 1 3 8 20 31 25 11 2 0 0 1 1 4 5 6 6 2 0 0 1 0 1 1 2 4 1 0 0 0 3 7 10 10 7 2 0 0 -1 1 2 1 3 3 1 0 0 0 1 1 0 1 1 0 1 1 1 2 2 2 2 1 0 1 1 -1 1 0 0 0 1 0 0 0 -1 0 0 -1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 I/Sigma = 25.48 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.586 Region 7 Sum = 4030.03; Maximum = 191.137; FM = 0.878 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 1 1 1 0 1 0 -1 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 0 0 0 2 5 3 1 0 0 0 -1 0 0 0 0 1 0 0 0 0 1 2 4 3 2 1 1 0 0 1 3 7 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 3 1 1 0 0 1 4 7 13 7 3 2 0 0 0 0 0 1 0 0 0 0 0 0 2 2 4 2 1 1 0 0 0 3 4 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 2 1 1 0 0 1 -1 -1 0 0 0 -1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 -1 0 -1 -1 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 -1 0 !Region 7: Section 4->6 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 2 1 0 0 1 1 0 4 6 5 4 1 1 1 1 0 3 4 4 3 1 0 0 0 3 5 8 5 2 0 0 0 0 2 10 19 15 7 1 1 0 0 1 5 13 12 7 2 0 0 1 5 13 23 17 6 0 0 0 1 4 23 55 49 19 4 0 0 1 2 13 36 39 18 4 1 0 3 11 32 42 27 9 1 0 0 3 15 56100 77 30 5 0 0 2 8 32 68 62 30 6 1 0 3 9 23 24 12 4 0 0 1 3 14 42 58 36 14 3 0 0 2 7 25 41 31 16 4 0 0 0 2 4 5 2 0 0 -1 0 0 4 11 15 9 2 1 0 0 1 3 7 11 8 3 1 0 0 0 -1 0 0 -1 0 -1 -1 0 0 -1 1 2 0 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 7->9 0 0 -1 0 0 0 1 0 0 0 0 -1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 -1 1 2 2 2 2 1 0 2 -1 1 2 1 2 3 1 0 1 0 0 0 0 1 1 1 0 0 0 1 2 4 5 4 1 0 1 0 1 1 1 4 5 2 0 0 0 1 0 0 1 2 1 0 1 0 2 6 10 10 5 1 1 2 1 1 1 3 7 6 1 0 1 0 0 1 1 2 3 1 0 1 1 5 13 19 15 6 0 1 2 1 2 3 7 8 5 0 0 1 1 1 1 2 2 2 0 0 0 1 5 9 10 10 4 0 1 1 1 1 3 4 7 4 0 0 1 0 0 1 1 2 1 0 0 1 1 1 3 2 3 2 1 1 1 1 0 1 1 3 3 1 0 1 0 0 1 0 1 1 0 1 0 0 0 0 0 1 0 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 37.39 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.393 Region 8 Sum = 9406.05; Maximum = 456.015; FM = 0.899 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 1 0 0 1 1 2 2 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 2 1 1 0 0 1 3 4 4 2 1 0 0 0 0 0 1 1 1 1 0 0 0 1 3 4 2 2 1 0 0 0 1 6 10 7 3 1 1 0 0 0 0 1 1 1 1 0 0 0 1 3 4 3 2 1 1 0 0 1 8 17 13 4 2 1 1 0 1 0 1 1 1 1 0 0 0 1 3 3 2 2 1 1 0 0 2 8 14 10 3 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 0 0 1 3 3 2 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 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 !Region 8: Section 4->6 0 0 0 1 1 1 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 3 4 3 1 1 0 0 0 1 3 8 5 2 1 0 0 0 0 2 6 5 3 1 0 0 1 3 8 12 7 2 1 0 0 1 2 9 22 16 5 1 0 0 0 1 4 16 16 5 1 0 0 1 6 22 34 18 4 1 1 0 1 4 26 62 45 11 2 1 0 0 2 12 43 45 14 2 0 0 2 11 47 61 22 4 2 1 0 1 9 56100 51 11 2 1 0 1 3 24 60 49 16 3 1 0 2 11 37 38 10 2 1 0 0 1 9 42 56 21 5 2 1 0 1 3 17 30 19 7 2 1 0 1 4 8 8 3 1 1 0 0 0 3 10 13 5 2 1 0 0 0 1 4 7 4 2 1 0 0 1 1 1 1 1 1 1 0 0 0 1 1 2 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 0 0 0 0 1 1 2 2 2 0 0 0 0 1 0 0 1 1 0 0 0 0 1 5 8 5 2 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 2 13 21 10 2 0 0 1 0 1 2 5 4 2 0 0 0 0 0 0 1 0 0 0 0 1 1 4 14 22 12 2 0 0 0 1 1 3 5 4 1 0 0 0 0 1 0 0 0 0 0 0 1 1 2 6 9 5 1 0 0 1 1 1 1 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 140.07 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.090 Region 9 Sum = 113511; Maximum = 11779.2; FM = 0.792 !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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 7 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 8 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 6 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 0 0 0 0 0 0 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 9: 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 0 0 0 0 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 1 0 0 0 0 0 0 3 5 1 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 14 29 6 1 0 0 0 0 1 19 49 12 1 0 0 0 0 1 12 31 9 1 0 0 0 0 1 21 62 20 1 0 0 0 0 1 32100 33 1 0 0 0 0 1 21 65 22 1 0 0 0 0 1 6 23 11 1 0 0 0 0 1 9 38 18 1 0 0 0 0 0 6 25 12 1 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 2 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 0 0 0 0 0 0 0 0 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 0 0 0 0 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 3 8 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 17 8 1 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 4 1 0 0 0 0 0 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (211 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 211 0 211 5.6659 0.8867 15.640 120.795 Orientation ('UB') matrix: 0.1436311 0.0361873 -0.0042010 0.0303842 -0.0026078 0.0770875 0.0665857 -0.0768693 -0.0045928 A B C Alpha Beta Gamma Vol 6.2447 11.7645 13.0165 90.000 96.600 90.000 949.93 0.0007 0.0008 0.0008 0.000 0.004 0.000 0.17 Corrected for goodness of fit: 0.0014 0.0016 0.0016 0.000 0.008 0.000 0.36 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.131 96.176 24.548 Goniometer zeros (deg): 0.0000* 0.0088 0.0000* -0.0005 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.6807 -0.1609 0.0645 -0.1691 -0.1695 0.8476 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.39366e+03 2.67392e+03 2.08 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 211 211 209 Average input ESD (pix, pix, deg): 0.25592 0.19170 0.11888 Goodness of fit: 2.42622 2.10848 1.53715 Old XYZ spot size: 2.164 2.499 2.331 New XYZ spot size: 2.132 2.466 2.313 Average missing volume: 0.055 % with too much missing I: 5.431 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:26:14 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 2.132 2.466 2.313 Spot size used (deg): 2.132 2.466 2.313 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 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): 0.129 Profile X,Y,Z spacing (deg): 0.298 0.285 0.332 Profile convolver halfwidth: 1.00 1.00 1.77 Background pixels updated = 92.50% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %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 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 0.00 1.000 2_0003 4 -0.11 -0.00 -0.00 0.14 0.03 0.01 53755 55 0 0.65 26 3.03 2.96 3.66 1.000 3_0004 10 -0.10 0.03 0.01 0.18 0.09 0.04 28190 44 0 0.81 30 1.96 2.10 3.08 1.000 4_0005 4 -0.00 0.02 -0.00 0.03 0.08 0.04 54517 76 0 0.81 30 1.97 2.26 3.21 1.000 5_0006 6 0.05 0.20 0.05 0.40 0.45 0.13 12384 22 0 0.80 32 2.10 2.34 3.15 1.000 6_0007 9 -0.07 -0.04 0.04 0.82 0.15 0.07 26372 42 0 0.71 25 2.05 2.32 3.21 1.000 7_0008 8 -0.17 0.00 0.04 0.37 0.28 0.08 70390 69 0 0.70 28 2.06 2.46 3.37 1.000 8_0009 5 0.26 0.14 -0.08 0.49 0.23 0.15 64664 77 0 0.84 25 2.14 2.50 3.41 1.000 9_0010 10 0.12 -0.12 -0.04 0.20 0.35 0.16 56828 68 0 0.80 27 2.04 2.42 3.40 1.000 10_0011 8 0.29 0.14 -0.02 0.80 0.48 0.10 28539 41 13 0.68 28 2.08 2.44 3.41 1.000 11_0012 14 -0.02 -0.02 -0.03 0.13 0.18 0.10 41512 66 0 0.81 32 2.08 2.52 3.48 1.000 12_0013 11 0.55 -0.33 -0.07 1.16 1.04 0.15 35170 47 9 0.79 27 2.15 2.57 3.40 1.000 13_0014 12 -0.10 0.14 -0.06 0.61 0.31 0.14 28421 39 0 0.81 29 2.20 2.64 3.45 1.000 14_0015 13 -0.26 -0.05 0.07 0.67 0.24 0.12 35937 49 8 0.75 26 2.15 2.60 3.45 1.000 15_0016 7 0.09 0.01 -0.03 0.14 0.10 0.11 32557 67 0 0.84 36 2.14 2.59 3.48 1.000 16_0017 8 0.22 0.10 -0.03 0.47 0.21 0.09 29902 46 0 0.82 28 2.11 2.57 3.46 1.000 17_0018 13 -0.06 -0.01 0.00 0.29 0.12 0.09 33167 44 0 0.74 28 2.11 2.59 3.48 1.000 18_0019 5 0.31 0.26 -0.02 0.57 0.56 0.08 77933 110 0 0.81 38 2.11 2.60 3.50 1.000 19_0020 11 0.02 -0.05 -0.00 0.33 0.18 0.14 24954 39 9 0.72 27 2.10 2.59 3.52 1.000 Background pixels updated = 92.32% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.01 -0.07 -0.08 0.19 0.11 0.12 23407 41 0 0.80 26 2.13 2.62 3.49 1.000 21_0022 4 -0.07 -0.01 -0.06 0.10 0.08 0.08 27581 45 0 0.67 32 2.13 2.63 3.50 1.000 22_0023 10 0.35 0.12 0.01 1.44 0.35 0.13 42849 71 10 0.75 35 2.15 2.64 3.50 1.000 23_0024 12 -0.05 0.05 -0.00 0.30 0.26 0.07 65521 79 8 0.79 29 2.15 2.65 3.54 1.000 24_0025 7 0.15 0.05 -0.03 0.45 0.09 0.09 45467 61 0 0.83 29 2.16 2.66 3.56 1.000 25_0026 7 0.11 -0.07 -0.02 0.25 0.19 0.05 82657 87 0 0.74 28 2.15 2.65 3.56 1.000 26_0027 12 0.05 0.01 -0.05 0.16 0.17 0.11 54916 57 0 0.79 28 2.14 2.67 3.56 1.000 27_0028 8 0.07 -0.09 0.08 0.12 0.16 0.17 27525 49 0 0.85 32 2.13 2.67 3.56 1.000 28_0029 20 0.02 -0.08 -0.00 0.44 0.24 0.07 28972 48 0 0.78 28 2.16 2.68 3.55 1.000 29_0030 2 0.12 -0.01 -0.02 0.13 0.02 0.04 15476 29 0 0.65 27 2.16 2.68 3.54 1.000 30_0031 12 0.30 -0.08 0.04 0.63 0.35 0.09 23488 35 0 0.73 26 2.17 2.70 3.53 1.000 31_0032 9 0.11 0.01 -0.03 0.20 0.50 0.13 29843 54 0 0.78 30 2.15 2.70 3.53 1.000 32_0033 12 0.31 -0.12 -0.02 0.54 0.35 0.09 14253 25 8 0.74 27 2.16 2.69 3.52 1.000 33_0034 11 0.39 -0.01 0.03 0.93 0.31 0.26 41394 50 9 0.74 27 2.15 2.69 3.52 1.000 34_0035 6 -0.24 -0.04 0.06 0.47 0.09 0.12 51391 59 0 0.74 24 2.15 2.69 3.52 1.000 35_0036 7 0.08 -0.22 0.03 0.34 0.38 0.05 14811 29 0 0.71 27 2.15 2.68 3.52 1.000 36_0037 8 0.31 -0.07 -0.04 0.71 0.13 0.09 50423 57 0 0.79 27 2.16 2.71 3.53 1.000 37_0038 9 -0.17 -0.16 -0.01 0.91 0.29 0.11 41525 63 0 0.73 27 2.15 2.70 3.53 1.000 38_0039 7 0.30 -0.28 -0.05 0.64 0.46 0.11 112004 97 0 0.84 29 2.15 2.71 3.54 1.000 39_0040 6 0.01 -0.03 0.02 0.06 0.05 0.07 49184 79 0 0.85 28 2.13 2.70 3.55 1.000 Background pixels updated = 92.70% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40_0041 7 0.08 0.03 -0.08 0.16 0.20 0.13 49517 62 0 0.82 30 2.13 2.70 3.56 1.000 41_0042 13 0.06 -0.13 -0.02 0.18 0.19 0.08 22939 47 0 0.80 32 2.13 2.70 3.56 1.000 42_0043 8 0.17 -0.31 -0.06 0.44 0.57 0.14 52668 62 0 0.79 28 2.13 2.72 3.57 1.000 43_0044 14 0.25 0.06 -0.06 0.57 0.50 0.11 45989 54 0 0.72 29 2.15 2.72 3.57 1.000 44_0045 9 0.01 -0.17 0.09 0.44 0.25 0.23 9926.7 17 0 0.66 26 2.14 2.72 3.57 1.000 45_0046 13 0.26 -0.06 -0.01 0.82 0.28 0.10 58825 77 0 0.81 29 2.16 2.73 3.58 1.000 46_0047 10 0.26 -0.35 -0.03 0.40 0.47 0.08 28990 39 0 0.82 27 2.19 2.75 3.57 1.000 47_0048 4 0.47 -0.25 -0.13 0.74 0.38 0.25 58261 58 25 0.71 27 2.19 2.75 3.57 1.000 48_0049 10 0.14 -0.20 -0.06 0.24 0.32 0.11 23806 34 0 0.74 29 2.19 2.76 3.57 1.000 49_0050 7 -0.17 -0.08 0.02 0.71 0.22 0.15 62869 65 0 0.73 23 2.19 2.77 3.58 1.000 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (367 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 367 0 367 6.2034 0.8868 14.278 120.769 Orientation ('UB') matrix: 0.1435936 0.0362602 -0.0041483 0.0302196 -0.0026048 0.0770833 0.0667335 -0.0768433 -0.0045703 A B C Alpha Beta Gamma Vol 6.2446 11.7635 13.0174 90.000 96.582 90.000 949.93 0.0004 0.0006 0.0006 0.000 0.003 0.000 0.12 Corrected for goodness of fit: 0.0010 0.0015 0.0015 0.000 0.007 0.000 0.32 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.072 96.157 24.606 Goniometer zeros (deg): 0.0000* 0.0200 0.0000* 0.0094 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.6770 0.0125 0.0629 -0.1515 -0.1673 0.8537 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.98030e+03 7.53883e+03 2.64 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 367 367 366 Average input ESD (pix, pix, deg): 0.24645 0.18957 0.29629 Goodness of fit: 2.80383 3.06987 1.80695 Background pixels updated = 92.90% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 11 0.21 -0.08 -0.03 0.49 0.14 0.14 22597 34 0 0.80 26 2.18 2.77 3.59 1.000 51_0052 11 0.10 -0.09 0.00 0.17 0.12 0.10 42579 51 0 0.72 28 2.17 2.77 3.58 1.000 52_0053 6 0.11 -0.04 -0.06 0.19 0.22 0.08 17459 29 0 0.80 29 2.17 2.77 3.58 1.000 53_0054 9 0.03 -0.10 0.01 0.15 0.12 0.10 35122 68 0 0.79 30 2.16 2.76 3.58 1.000 54_0055 10 0.04 -0.07 0.05 0.10 0.12 0.12 53277 78 0 0.78 29 2.15 2.76 3.58 1.000 55_0056 7 -0.05 -0.22 0.07 0.20 0.30 0.14 39241 62 14 0.81 31 2.15 2.76 3.59 1.000 56_0057 13 0.49 -0.16 -0.07 1.19 0.31 0.15 17129 29 8 0.70 27 2.14 2.76 3.58 1.000 57_0058 8 0.08 -0.22 -0.01 0.31 0.29 0.12 27311 42 0 0.75 29 2.14 2.76 3.57 1.000 58_0059 7 0.15 -0.17 0.04 0.17 0.20 0.09 29418 52 0 0.72 27 2.13 2.76 3.57 1.000 59_0060 5 0.31 -0.14 0.05 0.64 0.23 0.11 28951 72 0 0.83 33 2.12 2.76 3.57 1.000 Background pixels updated = 92.73% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 60_0061 10 0.17 -0.29 -0.01 0.27 0.37 0.05 19140 32 0 0.79 27 2.12 2.77 3.56 1.000 61_0062 6 0.26 -0.13 0.02 0.62 0.34 0.17 58545 64 0 0.74 24 2.13 2.78 3.57 1.000 62_0063 10 0.08 -0.20 0.08 0.19 0.23 0.11 48681 60 0 0.78 29 2.13 2.79 3.58 1.000 63_0064 11 0.15 -0.23 0.04 0.30 0.34 0.13 26802 40 0 0.77 27 2.14 2.80 3.59 1.000 64_0065 7 2.03 0.57 -0.28 4.44 1.42 0.45 26556 35 14 0.69 27 2.14 2.81 3.59 1.000 65_0066 12 0.05 -0.12 0.06 0.31 0.14 0.17 35060 50 0 0.80 29 2.14 2.82 3.59 1.000 66_0067 14 0.08 -0.21 0.07 0.27 0.26 0.16 46493 66 0 0.77 30 2.15 2.84 3.60 1.000 67_0068 9 0.07 -0.22 0.02 0.21 0.29 0.11 55363 69 0 0.78 28 2.16 2.85 3.61 1.000 68_0069 9 0.49 -0.23 0.09 0.81 0.35 0.37 60943 78 11 0.79 29 2.16 2.86 3.61 1.000 69_0070 5 0.11 -0.11 -0.04 0.28 0.26 0.09 27144 39 0 0.71 27 2.16 2.86 3.60 1.000 70_0071 9 0.03 -0.17 0.12 0.10 0.19 0.14 40685 54 0 0.76 30 2.15 2.87 3.61 1.000 71_0072 13 0.08 -0.08 0.04 0.33 0.23 0.18 45307 60 0 0.75 29 2.15 2.88 3.62 1.000 72_0073 6 0.05 -0.31 0.07 0.15 0.40 0.09 39666 58 0 0.75 24 2.15 2.88 3.62 1.000 73_0074 9 0.04 -0.15 0.08 0.19 0.21 0.13 43420 62 0 0.65 27 2.16 2.88 3.62 1.000 74_0075 10 0.18 -0.17 0.05 0.33 0.34 0.15 37317 48 0 0.73 28 2.15 2.88 3.61 1.000 75_0076 9 0.13 -0.23 0.06 0.22 0.28 0.13 51684 61 0 0.75 28 2.14 2.88 3.61 1.000 76_0077 7 0.48 0.20 0.13 0.70 0.63 0.54 14790 22 14 0.65 27 2.14 2.88 3.60 1.000 77_0078 12 0.04 -0.27 0.05 0.25 0.33 0.13 30779 36 8 0.73 27 2.14 2.89 3.60 1.000 78_0079 11 -0.06 -0.11 0.13 0.38 0.72 0.22 32858 44 18 0.75 28 2.14 2.89 3.61 1.000 79_0080 4 0.45 -0.53 -0.08 0.62 0.61 0.24 27072 36 0 0.75 25 2.13 2.89 3.60 1.000 Background pixels updated = 93.09% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80_0081 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 2.13 2.89 3.60 1.000 81_0082 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 23 2.13 2.89 3.60 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_18_0082.sfrm I/Sigma = 54.09 Thresh = 0.020 Blend = F #Contributing = 197 InitialProfileWt = 0.000 Region 1 Sum = 21885.2; Maximum = 520.995; FM = 0.84 !Region 1: Section 1->3 0 1 1 1 1 0 0 0 0 1 3 7 6 2 1 0 0 0 1 3 11 10 3 1 1 0 0 1 2 3 2 2 1 1 1 0 1 7 23 19 6 2 2 1 0 1 9 37 39 12 3 2 1 0 0 1 3 2 2 1 1 1 0 1 7 25 23 8 3 2 1 0 1 12 48 55 20 4 2 1 0 0 1 1 1 1 1 1 1 1 1 5 16 18 7 3 2 1 1 1 11 41 52 21 5 3 1 0 0 1 0 1 1 1 0 1 0 1 2 6 11 7 3 2 1 1 1 4 19 39 24 6 3 1 1 0 1 1 1 1 1 1 1 0 1 1 2 4 4 3 2 1 1 1 2 5 17 15 5 2 2 1 0 1 1 1 1 1 1 1 0 0 1 1 2 2 2 2 1 1 0 1 2 5 6 3 2 1 1 0 0 1 1 1 1 0 1 0 0 1 1 1 2 1 1 1 0 0 1 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 0 0 1 1 1 1 0 0 !Region 1: Section 4->6 0 1 6 7 4 1 1 0 0 0 0 1 3 3 1 1 1 0 0 0 1 1 2 1 1 1 0 1 5 22 35 19 5 2 1 0 0 2 7 18 19 6 2 1 0 0 1 2 6 10 5 2 1 1 1 9 38 58 34 9 2 1 0 0 4 16 39 44 17 4 1 0 0 1 5 19 32 17 4 1 0 1 11 43 68 44 14 3 1 0 1 5 22 60 79 39 6 2 0 0 1 7 36 71 44 8 2 0 0 4 24 61 56 22 5 1 0 0 3 14 55100 68 13 2 0 0 1 5 32 90 82 18 2 0 0 1 7 32 39 17 4 2 1 0 1 5 31 75 60 14 2 1 0 1 3 18 70 78 22 3 1 0 1 2 9 16 9 2 1 0 0 1 2 12 37 31 8 2 0 0 1 2 10 38 43 16 4 0 0 0 1 3 6 5 2 1 0 0 0 1 4 15 14 5 1 0 0 0 1 4 16 20 10 3 1 0 0 0 1 1 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 3 5 2 1 0 !Region 1: Section 7->9 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 0 1 1 2 3 3 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 7 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 10 23 18 5 2 1 0 0 0 2 3 3 3 2 1 0 0 0 0 0 0 1 1 0 0 1 2 9 31 37 11 2 1 0 1 1 1 4 7 4 2 1 0 0 0 0 1 1 1 1 0 0 1 1 6 26 39 17 3 1 0 0 1 1 4 8 6 2 1 0 0 0 0 1 1 1 0 0 0 1 1 4 16 26 16 4 1 0 0 0 1 3 8 8 3 1 0 0 0 0 1 2 2 1 0 0 0 1 2 8 16 12 4 1 0 0 0 1 2 8 9 4 1 0 0 0 0 0 2 3 2 0 0 0 0 0 2 5 4 2 0 0 1 0 0 1 3 4 2 0 0 0 0 0 0 1 1 1 0 I/Sigma = 274.51 Thresh = 0.020 Blend = F #Contributing = 175 InitialProfileWt = 0.000 Region 2 Sum = 404912; Maximum = 28857.7; FM = 0.809 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 4 1 0 0 0 0 0 1 6 8 2 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 6 10 2 0 0 0 0 0 1 16 33 9 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 6 2 0 0 0 0 0 1 17 48 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 18 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 3 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 25 57 17 1 0 0 0 0 1 22 55 18 1 0 0 0 0 0 10 30 10 1 0 0 0 0 2 38100 34 1 0 0 0 0 3 45100 34 1 0 0 0 0 2 31 62 21 1 0 0 0 0 1 13 43 12 0 0 0 0 0 2 16 42 13 1 0 0 0 0 2 13 29 11 1 0 0 0 0 0 1 4 1 0 0 0 0 0 0 2 4 2 0 0 0 0 0 1 2 4 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 20 7 1 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 15 8 1 0 0 0 0 2 3 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 152.65 Thresh = 0.020 Blend = F #Contributing = 127 InitialProfileWt = 0.000 Region 3 Sum = 133904; Maximum = 9380.09; FM = 0.87 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 6 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 6 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 6 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 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 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 6 11 8 2 0 0 0 0 1 4 10 9 3 0 0 0 0 0 1 4 5 2 0 0 0 0 3 16 35 20 5 0 0 0 0 2 18 52 34 8 1 0 0 0 1 10 34 25 6 1 0 0 0 3 23 59 26 2 0 0 0 0 5 39100 47 4 0 0 0 0 4 28 67 32 3 0 0 0 1 3 14 30 9 1 0 0 0 2 7 25 52 16 1 0 0 0 2 8 20 35 13 1 0 0 0 1 1 3 5 1 0 0 0 0 2 3 6 9 3 0 0 0 0 3 4 6 9 4 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 1 2 3 2 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 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 3 10 9 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 20 10 2 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 11 5 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 4 5 3 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.90 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.004 Region 4 Sum = 23397.7; Maximum = 725.931; FM = 0.876 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 1 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 1 2 7 10 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 0 0 1 2 8 13 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 2 7 18 14 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 12 14 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 5 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 1 6 12 10 3 1 0 0 0 1 4 10 12 4 1 0 0 0 0 1 3 5 3 1 0 0 0 3 14 27 23 9 2 0 0 0 2 10 26 31 14 3 1 0 0 1 3 10 15 11 3 1 0 1 5 21 45 34 10 2 1 0 0 4 20 50 48 18 3 1 0 0 2 7 21 27 20 6 1 1 0 4 21 64 63 15 2 1 0 0 3 22 74 88 29 5 1 0 0 2 9 35 55 32 9 2 0 0 1 9 44 68 24 4 1 0 0 1 10 53100 49 8 2 0 0 1 5 31 71 51 12 2 0 0 1 3 19 38 20 4 1 0 0 1 5 25 59 42 10 2 0 0 1 3 15 47 48 15 3 0 0 0 2 8 18 10 2 1 0 0 0 3 12 28 23 7 1 0 0 0 2 8 25 29 12 2 0 0 0 1 4 8 6 2 1 0 0 0 2 6 13 13 5 1 0 0 0 1 5 14 17 9 2 0 0 0 1 1 2 2 1 0 0 0 0 1 2 3 4 2 0 0 0 0 0 2 4 5 4 1 0 !Region 4: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 5 3 1 0 0 0 0 1 1 2 2 1 0 0 0 0 1 0 1 1 0 0 1 1 2 5 9 12 5 2 1 0 1 1 1 2 3 2 1 0 0 0 0 0 0 1 0 0 0 0 1 3 10 21 20 7 2 1 0 0 1 2 4 5 3 2 1 0 0 0 1 0 1 1 1 0 0 1 2 12 30 29 10 2 0 1 1 1 2 5 6 4 2 1 0 1 1 0 0 1 1 1 0 0 1 1 6 22 27 12 3 1 0 0 1 1 4 6 5 3 1 0 0 1 0 0 0 1 1 1 0 0 1 4 14 18 11 3 1 0 0 0 1 3 5 5 3 1 0 0 0 0 0 1 1 2 1 0 0 1 3 9 11 9 4 1 0 0 0 1 2 4 5 3 1 0 0 0 0 0 1 1 2 1 0 0 0 1 3 4 4 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 46.97 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.027 Region 5 Sum = 16492.7; Maximum = 320.124; FM = 0.848 !Region 5: Section 1->3 0 1 1 1 1 1 0 0 0 0 2 4 2 1 1 1 0 0 1 4 11 8 3 2 1 1 0 1 2 1 1 1 1 0 0 0 3 8 7 4 3 2 1 0 0 4 16 24 19 9 3 2 0 1 1 1 1 1 0 1 1 1 0 1 4 5 4 2 2 2 2 1 3 15 24 23 10 4 3 2 1 0 1 1 2 1 1 1 1 0 0 2 4 6 3 3 2 1 0 2 10 25 39 21 7 3 1 0 0 0 1 2 1 2 1 0 0 1 1 2 6 4 3 2 1 0 1 5 13 33 29 9 4 1 0 0 1 0 1 1 1 0 0 1 0 1 0 3 3 1 1 1 1 1 2 4 13 15 6 3 2 1 0 0 0 1 2 0 0 0 0 0 1 0 1 2 1 1 1 1 0 2 1 4 7 4 2 2 1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 3 4 2 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 1 0 1 1 0 0 0 0 !Region 5: Section 4->6 0 4 15 16 7 2 1 1 0 0 2 9 15 10 4 1 0 0 0 0 2 8 9 4 1 0 0 3 17 37 42 22 6 2 1 1 1 9 26 45 34 12 3 1 1 0 2 9 27 28 14 3 1 0 4 25 50 53 26 10 4 2 1 2 19 44 62 45 22 7 2 1 1 8 20 42 43 26 9 3 1 3 22 56 87 54 18 5 2 0 2 18 52 90 83 44 12 3 1 1 8 26 58 77 54 17 4 1 1 10 30 75 74 31 9 3 0 1 7 27 71100 77 27 5 1 0 2 14 41 83 94 39 6 1 1 3 8 30 41 23 8 2 1 0 2 7 29 55 60 30 5 1 0 1 4 16 43 75 48 9 1 0 1 2 9 18 13 6 2 1 0 1 1 11 25 33 23 6 1 0 0 0 8 21 42 38 11 1 0 1 1 4 8 7 3 1 0 0 0 0 5 12 17 14 5 1 0 0 0 4 11 22 25 10 2 0 1 0 1 2 1 1 0 0 0 0 0 1 3 4 5 1 0 0 -1 -1 1 3 6 8 3 0 !Region 5: Section 7->9 0 0 1 3 3 2 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 8 10 8 4 1 0 0 0 1 1 2 3 3 2 1 0 0 1 0 1 1 1 1 0 1 2 7 14 17 14 7 3 1 1 1 2 2 3 4 3 2 2 0 0 1 1 1 1 1 2 1 1 2 8 21 33 27 12 5 1 1 0 2 3 5 6 6 3 1 1 1 1 1 1 1 2 2 1 0 1 6 17 36 46 25 6 1 0 1 2 3 6 10 9 5 1 0 1 1 1 1 2 3 3 1 0 1 2 7 18 38 31 8 1 0 1 2 2 4 9 10 6 2 0 1 1 1 1 2 3 4 1 1 1 1 3 9 23 28 11 2 1 1 1 1 2 6 10 8 3 0 0 0 1 1 1 2 4 2 1 1 1 2 6 13 20 11 2 1 0 1 1 2 4 9 8 2 0 0 0 0 1 1 2 4 2 0 0 0 1 2 5 7 3 0 0 1 1 1 1 2 3 2 0 0 0 0 0 0 1 1 1 0 I/Sigma = 36.22 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.035 Region 6 Sum = 9894.31; Maximum = 209.909; FM = 0.874 !Region 6: Section 1->3 0 1 1 0 0 0 0 0 0 1 3 2 1 -1 0 1 1 0 0 2 4 3 1 1 1 1 0 2 5 2 0 0 0 0 0 -1 3 10 6 2 2 1 1 0 -1 2 9 13 11 6 2 1 1 0 2 4 3 2 2 1 1 1 0 3 10 7 4 4 1 0 0 0 3 14 18 15 8 3 1 1 0 1 2 1 1 1 1 1 0 0 2 6 5 7 3 2 1 0 0 3 14 24 28 14 5 3 1 0 0 2 0 0 1 2 2 1 0 1 4 3 6 5 3 3 2 -1 2 9 20 34 22 8 4 2 0 0 0 1 1 1 1 1 1 -1 1 1 3 4 4 2 2 1 -1 1 3 8 17 13 6 3 2 1 0 1 0 0 0 1 0 0 -1 0 0 1 1 1 1 0 0 -1 0 1 3 4 4 3 1 1 0 0 1 0 0 0 0 -1 0 0 -1 0 0 0 0 0 -2 0 -1 -1 0 1 1 2 2 0 0 0 0 1 0 0 0 0 -1 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 -1 0 0 !Region 6: Section 4->6 0 1 7 8 5 3 1 0 0 0 1 7 10 7 4 1 0 0 1 1 3 4 4 3 2 0 0 1 8 24 34 22 8 2 1 0 1 7 23 38 28 12 4 1 0 1 3 8 14 14 9 5 1 0 4 21 40 49 29 11 4 3 1 3 20 39 59 41 18 8 4 1 2 8 14 24 25 17 10 3 1 5 27 55 72 49 21 7 3 1 5 27 54 81 73 43 17 6 1 2 11 20 38 51 44 21 6 1 2 14 42 83 70 33 10 4 1 2 12 39 87100 70 28 8 1 1 5 16 41 68 75 40 10 1 1 5 16 44 41 23 9 4 2 1 5 16 49 60 49 24 8 2 1 3 7 24 40 54 39 13 2 1 2 5 14 16 11 3 2 1 0 2 5 17 25 22 11 5 2 1 2 3 9 17 25 23 11 2 0 0 1 2 7 7 3 1 0 1 1 1 4 10 12 7 3 1 1 2 2 4 8 12 13 7 2 0 0 1 1 2 2 1 0 0 0 0 1 1 3 4 3 1 0 0 1 1 1 3 4 4 2 1 !Region 6: Section 7->9 1 1 2 2 1 3 1 -1 0 0 0 1 1 1 2 0 -1 0 0 0 0 0 0 1 -1 0 0 1 1 3 3 5 5 3 -1 0 0 0 1 1 2 2 1 -1 0 0 0 0 0 0 1 0 0 0 1 3 1 5 10 11 8 1 0 1 2 0 1 3 4 4 0 0 1 0 0 0 1 1 0 1 1 0 2 4 11 23 26 16 4 0 0 0 1 3 7 7 7 3 0 0 0 0 0 1 1 0 2 1 0 1 5 12 28 42 30 7 0 0 0 2 4 8 12 12 4 1 0 0 0 0 2 1 2 3 1 0 1 2 7 16 34 35 12 1 0 -1 0 1 5 11 15 7 1 0 -1 -1 0 1 1 2 3 1 1 1 1 4 8 19 27 15 2 1 0 0 2 3 8 14 10 1 0 -1 0 1 1 1 2 3 1 1 3 2 4 6 10 18 14 4 1 1 1 3 2 4 11 10 4 1 -1 -1 1 0 0 2 3 1 1 1 1 1 2 4 6 4 1 0 0 0 0 1 2 4 3 1 0 0 -1 0 0 0 0 1 1 I/Sigma = 34.78 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.046 Region 7 Sum = 9099.36; Maximum = 251.852; FM = 0.897 !Region 7: Section 1->3 0 1 1 1 1 0 0 0 0 1 3 2 1 2 1 0 0 0 0 3 3 2 2 1 0 0 0 1 3 2 1 1 1 1 1 0 3 8 8 4 3 2 2 0 0 2 8 11 9 5 3 2 0 0 1 4 3 2 1 2 1 0 0 4 16 14 7 3 2 2 0 0 4 19 23 16 7 3 2 0 0 0 2 2 2 2 2 0 1 1 3 10 11 6 3 3 1 1 0 4 16 23 18 9 4 1 0 0 1 2 2 2 1 1 1 1 0 1 4 5 5 3 2 1 1 1 2 7 15 20 12 4 1 1 0 0 0 1 2 1 1 1 1 0 1 2 2 4 2 2 2 2 0 1 3 6 11 7 3 2 1 1 0 0 0 1 1 1 0 0 0 0 0 1 2 2 1 0 1 0 0 1 2 3 2 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 -1 0 !Region 7: Section 4->6 0 1 2 4 3 1 1 0 0 0 0 1 3 4 2 1 0 0 0 1 1 1 2 2 1 0 0 1 3 9 19 14 6 3 1 0 1 1 6 19 20 10 4 2 1 0 1 3 7 10 7 3 2 1 1 9 24 35 28 11 4 1 0 1 4 18 43 46 22 7 2 1 1 2 7 19 27 17 7 3 1 3 14 34 48 41 21 7 2 1 2 8 30 63 78 50 18 4 1 1 3 11 31 50 43 18 4 1 1 9 30 58 56 25 7 2 1 1 7 28 73100 59 21 4 1 1 3 10 33 62 53 25 6 1 0 3 14 38 33 13 5 2 1 0 3 15 51 61 31 11 4 1 0 1 6 24 39 31 19 6 1 0 1 4 11 11 4 1 1 1 0 1 5 19 24 12 4 3 1 0 1 3 12 17 13 9 5 1 0 2 1 2 2 2 0 1 0 0 2 2 4 6 5 1 2 1 1 1 1 3 5 6 4 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 !Region 7: Section 7->9 0 1 1 1 1 1 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 2 2 2 3 2 3 1 1 2 1 1 1 1 1 3 1 0 0 1 1 1 0 0 1 0 1 2 1 4 6 7 5 4 1 1 1 0 2 2 3 3 3 1 0 0 0 0 1 1 1 1 0 1 1 2 6 13 18 13 5 1 0 0 1 2 4 6 7 4 1 0 0 0 0 1 2 2 1 0 1 1 3 6 14 25 21 7 1 1 1 3 3 4 9 11 5 1 0 1 1 1 1 2 2 1 0 0 1 2 4 9 19 25 10 1 0 1 3 3 2 9 17 9 1 0 1 2 1 0 2 5 4 0 0 1 1 4 5 11 17 10 1 0 1 1 2 2 7 14 9 1 0 1 1 0 0 2 5 3 0 1 1 1 3 2 6 8 5 2 1 1 1 2 1 4 7 5 2 1 1 0 1 0 1 2 2 1 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 I/Sigma = 46.84 Thresh = 0.020 Blend = F #Contributing = 43 InitialProfileWt = 0.027 Region 8 Sum = 16652.5; Maximum = 484.225; FM = 0.881 !Region 8: Section 1->3 0 1 0 1 0 0 1 0 0 1 2 1 1 1 1 1 0 0 1 2 2 2 1 1 0 0 0 1 2 1 1 0 1 0 0 0 1 4 4 3 1 1 1 1 0 1 4 7 7 3 1 1 1 0 0 2 2 1 1 1 0 1 0 1 8 10 6 2 2 1 1 1 1 10 20 21 8 3 2 1 1 1 2 2 1 1 1 0 0 0 2 10 14 9 3 2 1 1 0 2 15 35 38 12 4 2 1 1 1 1 1 1 1 1 0 0 0 1 5 10 9 3 2 1 1 0 1 9 33 46 18 4 2 2 1 1 0 1 1 1 1 1 1 0 1 2 4 5 3 2 2 1 0 1 3 15 26 12 3 2 1 0 0 1 0 0 0 0 1 0 0 1 2 1 1 1 1 1 1 0 1 2 3 4 3 2 1 1 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 0 0 !Region 8: Section 4->6 0 1 1 2 1 1 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 2 6 10 8 3 2 1 0 0 1 3 8 10 4 2 1 0 0 1 2 4 6 4 2 1 0 1 5 18 34 21 7 2 2 0 0 2 9 30 36 16 4 2 1 0 1 3 16 30 17 5 2 0 1 8 36 65 38 14 4 2 1 0 3 18 61 81 41 9 2 1 0 1 6 35 79 52 12 3 1 1 7 42 85 55 15 4 2 1 1 3 21 77100 44 10 2 1 0 1 6 39 87 57 16 3 1 0 3 21 55 36 9 2 2 1 0 2 12 52 61 24 6 2 1 0 1 4 25 51 34 11 3 1 0 1 3 9 9 4 2 1 1 0 1 3 13 20 10 3 2 1 0 0 2 8 19 15 5 2 1 0 1 1 1 2 2 1 1 1 0 1 1 2 3 3 2 1 0 0 0 1 1 4 5 2 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 8: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 0 0 1 0 1 1 2 2 2 1 0 0 0 1 1 1 1 1 0 0 1 1 4 10 8 4 2 0 0 1 1 2 3 3 3 2 1 0 1 1 1 1 1 1 1 0 0 1 2 9 28 27 9 3 1 0 1 2 2 4 7 5 3 1 0 1 1 1 1 2 1 1 1 0 1 2 9 29 35 17 3 1 0 1 1 3 5 12 10 3 1 0 0 0 1 2 3 2 1 1 0 1 1 6 17 23 14 4 1 0 1 1 2 4 9 9 4 1 0 0 0 1 2 2 2 2 1 0 0 1 3 7 11 8 3 1 0 1 1 2 2 5 6 3 1 0 1 1 1 1 2 2 2 1 0 0 1 1 3 5 4 2 1 0 1 1 1 2 3 4 3 1 0 1 1 1 1 1 2 2 1 0 0 0 1 1 1 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 1 0 I/Sigma = 134.95 Thresh = 0.020 Blend = F #Contributing = 131 InitialProfileWt = 0.000 Region 9 Sum = 102613; Maximum = 6116.16; FM = 0.799 !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 0 0 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 1 4 6 3 1 0 0 0 0 0 2 2 1 0 0 0 0 0 1 6 12 7 1 0 0 0 0 1 7 26 21 3 1 0 0 0 0 1 2 1 0 0 0 0 0 1 5 17 18 3 0 0 0 0 1 8 44 58 11 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 6 9 3 0 0 0 0 0 3 16 31 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 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 0 0 0 0 0 0 0 0 0 0 !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 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 5 1 0 0 0 0 0 1 6 4 1 0 0 0 0 0 0 2 2 1 0 0 0 0 1 6 35 38 6 1 0 0 0 0 4 26 36 7 1 0 0 0 0 1 9 18 7 1 0 0 0 1 7 62100 23 1 0 0 0 0 5 51 99 29 2 0 0 0 0 1 22 58 28 4 0 0 0 0 3 26 58 19 2 0 0 0 0 2 22 59 24 4 1 0 0 0 1 10 36 23 7 1 0 0 0 1 3 6 2 1 0 0 0 0 0 3 6 3 1 0 0 0 0 0 1 4 5 3 1 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 0 0 0 0 0 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 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 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 23 17 4 1 0 0 0 0 1 4 5 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 3 15 16 6 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 5 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 6 Total topped/rescanned pixels: 94 Minimum pixel ceiling(frame): 163809(neal054_18_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_18_0001.sfrm) Total spots predicted: 856 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 105* Outside frame limits: 43* Spots exceeding frame queue size: 1* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 4* 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: 2* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 698 Total spot components written: 698 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 698 Twin overlaps written: 0 Average Intensity: 38648.78 Average I/sigma: 69.401 % over "strong" threshold: 85.53 % less than 2 sigma: 2.44 % which spanned more than 1 frame: 89.68 Average X,Y,Z positional errors: 0.13 -0.09 0.01 RMS X,Y,Z positional errors: 0.68 0.36 0.15 % X,Y,Z more than 0.5 pixel: 12.18 8.45 1.00 % X,Y,Z more than 1.0 pixel: 6.02 2.72 0.29 Avg % profile volume populated: 97.21 Avg % profile volume integrated: 20.36 Avg % profile missing I: 2.76 Avg % profile missing volume: 2.79 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 4.27 15.62 4.74 Average spot-shape correlation: 0.747 RMS spot-shape correlation: 0.764 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.183 0.173 9 1.0 2.0 0.350 0.133 8 2.0 4.0 0.490 0.123 19 4.0 8.0 0.641 0.117 43 8.0 16.0 0.756 0.111 76 16.0 32.0 0.766 0.107 171 32.0 64.0 0.775 0.119 188 64.0 128.0 0.812 0.120 122 128.0 256.0 0.873 0.090 62 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): 266.248 Elapsed since INTEGRATE command (sec): 264.772 Integration time, this run (sec): 5.130 Time in unit-cell LS (sec): 0.037 Per-frame integration time (sec): 0.063 Integration completed normally ======================== 10/26/2021 10:26:19 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1199070 will be applied to LS-fit intensities Number of spots read: 698 Number of LS-fit intensities scaled: 88 Number rejected due to poor spot shape: 2 Number unwritable (I, sigma too large): 0 Number written: 696 Sorting Reflection File ============================== 10/26/2021 10:26:19 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_18.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... 696 spot components in 696 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 696 spot components in 696 spots written to file /smb/isengard/data/neal054/work/neal054_18.raw Computing Reflection File Statistics ========== 10/26/2021 10:26:19 Integration of neal054 ................................................................................... Statistics for reflections in neal054_18.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 696 Number of reflection records read = 696 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 696 Number of spot components used = 696 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_18.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 6.245 11.764 13.017 90.000 96.582 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 10 1 9 2 20.0 6266.867 17.33 10.72 0.359 0.000 4.2 0.000 1.120 0.00 2.5 .28-.13 4.2 1.2 .31 32.000 22 2 21 3 9.1 7930.113 21.24 10.78 0.094 -0.001 1.4 0.000 0.165 0.00 .27 .06 .02 1.6 .53 .23 64.000 41 9 35 15 7.3 9220.631 22.28 10.91 0.061 -0.001 1.3 0.000 0.114 0.00 .48-.19-.06 1.0 .74 .29 96.000 40 9 35 14 2.5 8865.478 21.54 11.03 0.080 0.009 1.9 0.000 0.148 0.00 .35-.09-.01 .75 .52 .25 128.000 64 16 51 29 4.7 15883.630 30.40 11.33 0.095 -0.001 2.5 0.000 0.200 0.00 .17-.15-.03 .42 .37 .11 160.000 85 25 61 49 4.7 15885.620 31.08 11.66 0.106 -0.001 2.9 0.000 0.218 0.00 .02-.09-.00 .30 .31 .13 192.000 105 40 72 73 1.0 23753.507 40.22 12.08 0.071 0.002 2.5 0.000 0.145 0.00 .09-.11-.01 .17 .30 .10 224.000 107 50 77 80 0.0 33340.036 54.52 12.57 0.105 0.009 4.7 0.000 0.217 0.00 .09-.10 .01 .14 .23 .10 256.000 96 42 75 63 1.0 52364.161 82.11 13.14 0.088 0.005 6.4 0.000 0.173 0.00-.05-.08 .03 .11 .16 .11 288.000 63 22 54 31 0.0 83923.758 125.59 14.46 0.099 -0.003 11.5 0.000 0.187 0.00-.02-.05 .05 .06 .12 .11 320.000 36 10 34 12 0.0 107676.97 171.08 13.94 0.103 -0.001 18.6 0.000 0.213 0.00 .02-.03 .06 .09 .14 .14 352.000 17 5 17 5 0.0 101674.18 190.45 13.81 0.135 0.011 30.2 0.000 0.271 0.00 .03-.06 .07 .08 .09 .18 384.000 9 2 9 2 0.0 165625.82 336.15 14.08 0.343 -0.036 99.9 0.000 0.685 0.00 .08-.03 .01 .14 .08 .15 416.000 1 0 1 0 0.0 45610.000 216.37 13.37 0.000 0.000 0.0 0.000 0.000 0.00 .15-.06-.02 .15 .06 .02 448.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 480.000 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 neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 24 0 24 0 0.0 22391.006 49.54 11.02 0.000 0.000 0.0 0.000 0.000 0.00 .27 .26-.05 .57 .66 .14 32.000 39 10 39 10 2.6 28599.998 62.58 11.25 0.055 0.001 3.1 0.000 0.110 0.00 .29-.04 .02 .69 .50 .14 64.000 63 29 63 29 4.8 31846.092 64.14 11.75 0.069 -0.019 4.3 0.000 0.138 0.00 .25-.05 .02 1.5 .49 .15 96.000 83 51 80 54 3.6 34115.553 65.80 12.39 0.102 -0.074 7.7 0.000 0.227 0.00 .28-.02 .02 .76 .25 .19 128.000 107 73 103 77 2.8 45608.403 78.63 13.07 0.112 0.031 8.2 0.000 0.220 0.00 .06-.08 .04 .44 .14 .18 160.000 113 73 108 78 1.8 39410.251 65.73 13.29 0.101 0.035 5.4 0.000 0.203 0.00-.00-.05 .04 .53 .11 .12 192.000 95 51 92 54 2.1 39911.468 66.82 12.82 0.087 0.007 3.9 0.000 0.173 0.00 .13-.08 .00 .39 .16 .14 224.000 79 39 78 40 1.3 43387.101 75.54 12.16 0.117 -0.014 4.7 0.000 0.248 0.00 .09-.11-.02 .50 .29 .12 256.000 51 20 51 20 0.0 41617.786 69.11 11.59 0.090 -0.011 4.0 0.000 0.181 0.00 .11-.20-.05 .28 .35 .10 288.000 34 11 34 11 5.9 40442.521 77.30 11.21 0.070 -0.012 4.5 0.000 0.141 0.00 .07-.26-.05 .48 .59 .16 320.000 8 5 8 5 0.0 39062.413 53.33 11.19 0.073 0.008 3.2 0.000 0.146 0.00 .52-1.2-.16 1.2 1.5 .18 352.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 384.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 416.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 448.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 480.000 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 neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 14 21 15 0.0 38143.473 62.55 12.20 0.109 -0.020 6.1 0.000 0.222 0.00 .01-.07-.03 .10 .15 .08 30.000 76 41 71 46 1.3 44836.945 71.30 12.55 0.109 -0.015 5.4 0.000 0.217 0.00 .03-.08-.02 .12 .21 .09 60.000 110 64 104 70 0.0 44800.271 70.47 13.05 0.086 0.026 4.1 0.000 0.174 0.00 .01-.11 .01 .13 .29 .09 90.000 122 69 112 79 2.5 48856.192 77.78 13.14 0.100 0.018 5.9 0.000 0.193 0.00 .03-.10 .02 .21 .27 .12 120.000 106 61 99 68 3.8 43703.037 76.12 12.67 0.097 -0.006 5.5 0.000 0.192 0.00 .09-.12 .01 .33 .23 .13 150.000 92 47 89 50 1.1 36239.831 70.19 12.18 0.101 -0.017 9.2 0.000 0.189 0.00 .14-.13-.01 .39 .28 .17 180.000 73 34 73 34 1.4 28308.441 60.08 11.55 0.105 -0.041 6.2 0.000 0.210 0.00 .17-.17 .02 .63 .47 .21 210.000 53 8 51 10 3.8 22375.407 50.50 11.09 0.059 -0.001 2.0 0.000 0.102 0.00 .18-.08 .04 .83 .40 .21 240.000 30 5 29 6 6.7 14822.088 38.50 10.92 0.138 0.003 2.6 0.000 0.290 0.00 .69 .21-.05 1.4 .65 .22 270.000 12 0 12 0 25.0 4537.293 14.59 10.71 0.000 0.000 0.0 0.000 0.000 0.00 1.7 .54-.10 3.7 1.2 .25 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 66 28 63 31 3.0 25720.318 44.05 11.28 0.093 -0.017 3.7 0.000 0.186 0.00 .23-.39-.05 .59 .73 .14 2.000 27 4 26 5 0.0 78241.152 133.51 11.74 0.047 -0.004 6.0 0.000 0.119 0.00-.10-.13-.08 .13 .25 .13 3.000 408 136 310 234 3.4 18873.988 36.49 11.81 0.093 0.008 3.1 0.000 0.190 0.00 .20-.05-.01 .85 .35 .16 4.000 195 60 147 108 0.5 78680.612 123.85 14.01 0.105 -0.002 12.1 0.000 0.204 0.00-.01-.05 .06 .09 .11 .12 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 222 95 176 141 0.5 46403.263 72.69 12.85 0.094 0.009 4.9 0.000 0.197 0.00 .01-.09 .00 .13 .25 .10 2.000 12 0 12 0 0.0 156220.57 274.04 12.85 0.000 0.000 0.0 0.000 0.000 0.00 .06-.05-.09 .14 .11 .14 3.000 3 0 3 0 0.0 36646.865 95.78 11.39 0.000 0.000 0.0 0.000 0.000 0.00-.17-.22-.18 .18 .25 .19 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 7 3 7 3 28.6 11876.361 23.42 11.07 0.144 -0.023 3.7 0.000 0.289 0.00 .34-.46 .00 1.4 1.5 .24 6.000 69 19 64 24 2.9 14703.620 29.51 11.08 0.092 -0.003 2.4 0.000 0.167 0.00 .39-.31-.05 .92 .48 .20 7.000 171 60 148 83 7.0 11995.409 26.42 11.38 0.081 0.008 2.1 0.000 0.157 0.00 .28 .02-.01 1.2 .46 .20 8.000 168 69 135 102 0.0 38221.707 66.77 12.59 0.084 -0.011 5.1 0.000 0.174 0.00 .07-.08 .04 .15 .21 .11 9.000 44 14 33 25 0.0 113570.48 179.38 15.18 0.135 -0.006 28.5 0.000 0.255 0.00 .02-.04 .10 .05 .05 .14 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.270 28 10 28 10 0.0 32485.125 58.09 12.28 0.180 -0.026 21.7 0.000 0.359 0.00-.10 .06 .02 .38 .22 .07 6.104 34 9 34 9 2.9 51367.495 84.46 12.39 0.050 0.004 5.9 0.000 0.101 0.00 .13 .01-.01 .57 .35 .13 9.937 43 13 43 13 2.3 39620.986 66.24 12.07 0.143 -0.015 8.0 0.000 0.286 0.00 .11-.05-.04 .68 .56 .12 13.771 37 13 37 13 2.7 27773.076 56.50 12.25 0.117 0.010 6.0 0.000 0.235 0.00-.05-.00 .01 .49 .19 .11 17.604 26 12 26 12 3.8 35200.194 65.79 12.16 0.117 0.011 7.1 0.000 0.233 0.00 .06 .01-.03 .34 .28 .11 21.438 32 12 32 12 6.2 53719.613 85.38 12.54 0.097 -0.019 10.7 0.000 0.193 0.00 .15 .05-.01 .86 .27 .09 25.271 46 22 46 22 0.0 40930.192 72.70 12.19 0.094 -0.011 5.7 0.000 0.188 0.00 .04-.04-.00 .31 .19 .10 29.105 38 19 38 19 2.6 24388.364 49.56 12.31 0.125 -0.056 5.1 0.000 0.250 0.00 .24-.08-.02 .49 .37 .12 32.938 30 16 30 16 3.3 41390.070 66.23 12.34 0.128 -0.047 6.8 0.000 0.256 0.00 .09-.07 .04 .87 .27 .16 36.772 29 15 29 15 0.0 56894.569 90.12 12.83 0.119 -0.017 5.6 0.000 0.239 0.00 .14-.13-.03 .35 .30 .11 40.605 39 20 39 20 0.0 36582.099 67.45 12.22 0.117 -0.027 8.2 0.000 0.234 0.00 .12-.09-.04 .42 .42 .11 44.439 37 22 37 22 2.7 38939.916 68.73 12.07 0.079 0.013 4.2 0.000 0.159 0.00 .26-.20-.02 .62 .36 .16 48.272 35 29 35 29 0.0 37219.407 65.96 12.46 0.086 0.029 4.7 0.000 0.172 0.00 .08-.08-.01 .44 .18 .12 52.106 34 20 34 20 2.9 36082.409 77.00 12.75 0.073 0.014 5.4 0.000 0.145 0.00 .18-.15 .01 .75 .24 .14 55.939 32 22 32 22 3.1 26678.922 50.41 12.58 0.081 -0.000 3.5 0.000 0.162 0.00 .18-.20 .00 .35 .29 .10 59.773 35 25 35 25 2.9 34746.976 62.34 12.45 0.110 0.051 5.9 0.000 0.220 0.00 .53-.04-.01 2.0 .69 .23 63.606 37 25 37 25 0.0 44577.657 72.56 12.40 0.052 0.004 2.1 0.000 0.104 0.00 .05-.17 .04 .27 .23 .14 67.440 34 21 34 21 2.9 43673.400 78.28 12.31 0.058 0.000 2.9 0.000 0.117 0.00 .20-.17 .05 .47 .26 .22 71.273 34 26 34 26 0.0 46104.222 83.42 12.90 0.107 0.051 5.8 0.000 0.213 0.00 .08-.19 .08 .24 .31 .14 75.107 36 27 36 27 11.1 26719.674 51.70 12.21 0.102 0.031 3.7 0.000 0.203 0.00 .16-.16 .08 .46 .56 .29 78.940 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> 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 87 24 87 24 2.3 41667.055 70.81 12.19 0.104 -0.005 12.6 0.000 0.207 0.00 .09-.02-.01 .59 .45 .11 70.000 88 37 88 37 2.3 32955.139 61.01 12.25 0.120 0.002 6.8 0.000 0.240 0.00-.03 .02-.01 .46 .23 .11 80.000 101 44 101 44 3.0 40157.323 72.26 12.32 0.103 -0.022 7.0 0.000 0.207 0.00 .15-.03-.01 .59 .30 .10 90.000 81 43 81 43 1.2 45261.710 73.95 12.51 0.125 -0.029 6.4 0.000 0.249 0.00 .12-.12-.01 .59 .31 .14 100.000 97 64 97 64 1.0 37585.489 68.30 12.24 0.089 0.003 5.3 0.000 0.178 0.00 .16-.11-.02 .52 .32 .13 110.000 84 52 82 54 2.4 32943.004 64.45 12.68 0.094 0.034 5.1 0.000 0.187 0.00 .17-.17 .01 .55 .26 .12 120.000 96 65 94 67 2.1 41618.917 71.63 12.38 0.073 0.004 3.3 0.000 0.147 0.00 .26-.13 .03 1.2 .47 .21 130.000 62 45 62 45 6.5 35447.805 67.08 12.47 0.100 0.039 4.3 0.000 0.200 0.00 .14-.17 .07 .38 .47 .24 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 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 neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 14.170 63 19 63 19 1.6 42327.112 72.55 12.32 0.100 -0.006 14.2 0.000 0.201 0.00 .03 .03 .00 .49 .29 .10 14.220 86 30 86 30 2.3 37023.715 65.70 12.19 0.124 -0.005 7.2 0.000 0.249 0.00 .06-.02-.02 .60 .44 .12 14.270 97 42 97 42 3.1 41791.325 73.74 12.27 0.100 -0.011 7.3 0.000 0.200 0.00 .06-.01-.01 .55 .21 .10 14.320 74 39 74 39 2.7 31988.080 57.54 12.39 0.131 -0.053 6.2 0.000 0.261 0.00 .17-.08 .01 .66 .33 .14 14.370 84 42 84 42 0.0 45222.330 78.14 12.31 0.106 -0.006 6.2 0.000 0.212 0.00 .17-.12-.02 .51 .38 .12 14.420 57 45 57 45 1.8 33594.729 62.26 12.33 0.083 0.010 4.4 0.000 0.166 0.00 .12-.13-.03 .41 .23 .13 14.470 71 45 71 45 2.8 34035.419 66.25 12.71 0.085 0.029 4.9 0.000 0.170 0.00 .19-.17 .01 .59 .28 .12 14.520 98 66 97 67 2.0 41566.484 71.59 12.42 0.072 0.003 3.4 0.000 0.145 0.00 .26-.12 .03 1.2 .45 .21 14.570 66 49 66 49 6.1 36033.778 67.53 12.48 0.109 0.050 4.7 0.000 0.218 0.00 .13-.18 .07 .37 .47 .23 14.620 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.670 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.720 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.770 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.820 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.870 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.920 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.970 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.070 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.120 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.170 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 19.000 696 189 507 378 2.4 38582.412 68.98 12.37 0.099 0.000 5.7 0.000 0.192 0.00 .13-.09 .00 .68 .36 .15 20.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4 1 4 1100.0 -40.145 -0.21 11.16 2.754 -3.164 2.5 0.000 5.508 0.00 2.6 .66-.12 5.8 1.7 .38 0.100 5 0 5 0100.0 84.485 0.45 11.08 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .67-.17 2.3 .86 .33 0.200 5 2 5 2 60.0 287.261 1.55 11.12 2.678 -0.711 2.5 0.000 5.356 0.00 .95 .13 .20 1.6 1.0 .56 0.300 5 2 5 2 60.0 406.120 2.02 11.70 0.158 -0.077 0.4 0.000 0.316 0.00 .51-.07 .16 .71 .36 .50 0.400 20 12 19 13 5.0 10427.278 31.44 11.98 0.121 0.094 2.9 0.000 0.242 0.00 .21 .00-.01 .61 .35 .14 0.500 64 39 59 44 1.6 22652.808 44.11 12.39 0.089 -0.010 3.6 0.000 0.173 0.00 .04-.07 .02 .60 .29 .11 0.600 122 66 116 72 0.0 31331.202 54.04 12.29 0.088 0.023 4.2 0.000 0.179 0.00 .10-.08 .01 .54 .26 .15 0.700 141 77 130 88 0.0 31992.980 57.08 12.47 0.110 -0.006 5.5 0.000 0.217 0.00 .07-.09 .01 .39 .25 .13 0.800 248 107 224 131 0.0 45486.149 75.45 12.48 0.086 0.011 5.3 0.000 0.174 0.00 .15-.13-.02 .47 .39 .12 0.900 82 24 81 25 0.0 68016.134 118.86 12.34 0.138 -0.034 19.8 0.000 0.274 0.00 .04-.11 .03 .21 .26 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 686 189 500 375 2.3 38882.694 69.51 12.39 0.098 -0.000 5.7 0.000 0.192 0.00 .10-.09 .01 .47 .29 .15 0.050 2 1 2 1 0.0 7282.800 19.15 10.73 0.560 -0.097 4.6 0.000 1.120 0.00 1.5 .31-.09 1.6 .98 .11 0.100 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.150 2 1 2 1 0.0 14934.850 31.33 11.00 0.118 -0.108 4.9 0.000 0.235 0.00 .54-.28-.13 .61 1.4 .15 0.200 1 0 1 0 0.0 4492.100 11.08 10.81 0.000 0.000 0.0 0.000 0.000 0.00 4.1-.58-.45 4.1 .58 .45 0.250 1 1 1 1 0.0 82062.703 72.98 11.25 0.095 0.095 6.9 0.000 0.190 0.00 .20-1.5-.22 .20 1.5 .22 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 2 0 2 0 50.0 2094.486 5.82 10.80 0.000 0.000 0.0 0.000 0.000 0.00 6.4 2.5-.43 8.2 2.6 .51 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 2 0 2 0 0.0 22325.751 28.60 11.03 0.000 0.000 0.0 0.000 0.000 0.00 1.7-1.5-.18 2.4 2.4 .20 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 neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 45 22 44 23 6.7 31453.314 69.96 12.37 0.092 0.028 3.6 0.000 0.183 0.00 .15-.09 .01 .31 .24 .14 0.050 35 11 35 11 0.0 21212.505 47.23 12.30 0.043 0.004 1.9 0.000 0.087 0.00 .30-.17-.03 .82 .37 .13 0.100 33 20 33 20 0.0 52817.111 81.54 12.29 0.083 0.002 5.3 0.000 0.167 0.00 .20-.05-.02 .47 .42 .13 0.150 40 24 40 24 2.5 37958.331 66.32 12.29 0.081 -0.016 4.5 0.000 0.163 0.00 .10-.21-.04 .54 .42 .16 0.200 49 31 48 32 0.0 37468.704 61.23 12.67 0.136 -0.027 6.9 0.000 0.273 0.00 .10-.08 .00 .17 .16 .10 0.250 28 17 28 17 0.0 58471.607 92.06 12.87 0.080 -0.007 6.1 0.000 0.161 0.00-.08-.07 .02 .51 .23 .11 0.300 26 13 26 13 0.0 49301.592 82.13 12.55 0.140 0.020 8.8 0.000 0.281 0.00-.05-.09 .01 .63 .22 .10 0.350 40 23 40 23 7.5 42762.246 74.02 12.73 0.087 0.038 6.9 0.000 0.174 0.00 .33-.04 .03 1.8 .57 .18 0.400 39 23 38 24 0.0 46739.081 75.15 12.51 0.081 0.012 5.8 0.000 0.163 0.00 .17-.15-.02 .36 .32 .14 0.450 47 18 47 18 0.0 27071.145 53.07 11.89 0.099 0.034 3.7 0.000 0.198 0.00 .07-.10-.00 .43 .19 .11 0.500 25 9 24 10 4.0 45047.494 87.19 12.38 0.087 -0.016 14.1 0.000 0.172 0.00 .10 .05 .04 .73 .27 .19 0.550 35 21 35 21 5.7 40731.121 68.16 12.24 0.099 0.006 4.9 0.000 0.199 0.00 .06 .01 .00 .42 .37 .12 0.600 22 10 22 10 0.0 54797.711 91.22 12.66 0.153 -0.004 10.2 0.000 0.306 0.00 .10-.02-.01 .75 .25 .11 0.650 35 18 35 18 5.7 40544.901 73.32 12.42 0.109 0.006 5.2 0.000 0.217 0.00 .19-.04 .04 .78 .30 .22 0.700 38 26 37 27 0.0 42209.364 69.94 12.23 0.107 -0.022 7.5 0.000 0.201 0.00 .18-.14-.01 .53 .33 .18 0.750 30 15 30 15 3.3 47794.833 77.70 12.59 0.133 0.012 6.5 0.000 0.267 0.00 .14-.06 .02 .56 .35 .10 0.800 37 23 37 23 0.0 31183.535 59.04 12.46 0.090 -0.034 4.6 0.000 0.180 0.00-.02-.08 .05 .29 .34 .11 0.850 27 15 27 15 7.4 26764.358 51.30 12.21 0.096 -0.013 3.9 0.000 0.192 0.00 .10-.14-.00 .43 .29 .12 0.900 39 24 39 24 5.1 22230.896 46.89 12.19 0.085 -0.009 3.1 0.000 0.170 0.00 .15-.04 .03 .45 .36 .24 0.950 26 10 26 10 0.0 35227.741 63.42 11.71 0.098 -0.040 7.4 0.000 0.196 0.00 .30-.17-.01 .81 .79 .14 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> 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 1253.322 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2506.645 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5013.289 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10026.578 87 48 64 71 4.6 10936.276 26.47 12.86 0.107 0.005 2.5 0.000 0.211 0.00 .04-.06 .02 .17 .11 .12 20053.156 306 130 233 203 0.7 24622.650 44.35 12.38 0.096 0.002 4.2 0.000 0.189 0.00 .07-.09 .01 .27 .18 .12 40106.312 219 61 199 81 3.2 38409.187 67.41 12.04 0.128 -0.003 10.0 0.000 0.223 0.00 .14-.10-.00 .68 .43 .18 80212.625 57 13 52 18 7.0 85434.226 129.30 12.50 0.060 0.002 9.2 0.000 0.104 0.00 .54-.03-.00 1.8 .68 .17 160425.250 23 3 22 4 0.0 176942.26 220.90 13.19 0.072 0.009 19.7 0.000 0.158 0.00 .19-.17-.01 .70 .71 .17 320850.500 4 1 4 1 0.0 254084.25 394.69 13.70 0.258 -0.039 84.3 0.000 0.516 0.00 .02-.07 .02 .11 .11 .19 641701.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.730 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.461 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.191 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.922 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.652 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.382 376 100 320 156 4.0 20267.215 41.42 11.34 0.091 -0.011 3.0 0.000 0.190 0.00 .23-.11-.03 .92 .48 .18 12.113 213 110 163 160 0.5 41266.532 66.51 12.77 0.092 -0.002 4.8 0.000 0.186 0.00 .04-.07 .03 .11 .12 .09 13.843 68 32 62 38 1.5 88636.799 135.30 14.61 0.102 -0.012 13.4 0.000 0.214 0.00-.01-.04 .07 .10 .08 .12 15.574 39 20 35 24 0.0 113225.95 154.48 16.23 0.116 0.040 17.4 0.000 0.219 0.00-.01-.05 .10 .05 .06 .12 17.304 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 5 0 5 0 0.0 4259.020 13.79 10.79 0.000 0.000 0.0 0.000 0.000 0.00-2.1 .03 .09 2.1 .42 .10 -1.380 1 0 1 0 0.0 7623.300 19.23 10.78 0.000 0.000 0.0 0.000 0.000 0.00-1.4 .28 .19 1.4 .28 .19 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 3 1 3 1 33.3 7435.140 20.15 10.97 1.856 -0.012 1.3 0.000 3.712 0.00-1.1 .63 .33 1.1 .94 .34 -1.020 1 0 1 0 0.0 705.641 3.77 10.72 0.000 0.000 0.0 0.000 0.000 0.00-1.0-.70 .14 1.0 .70 .14 -0.900 4 0 4 0 50.0 4069.886 14.62 10.88 0.000 0.000 0.0 0.000 0.000 0.00-.84-.20 .17 .84 .71 .19 -0.780 1 1 1 1 0.0 1415.600 4.98 12.09 0.174 -0.174 0.9 0.000 0.349 0.00-.67-.20 .29 .67 .20 .29 -0.660 2 0 2 0 0.0 3585.350 11.11 11.27 0.000 0.000 0.0 0.000 0.000 0.00-.61-.23 .10 .61 .33 .10 -0.540 5 2 5 2 20.0 2125.275 8.64 11.19 1.650 -0.201 6.6 0.000 3.300 0.00-.48 .00 .10 .48 .28 .14 -0.420 10 3 10 3 10.0 5925.655 17.10 11.56 0.117 0.032 2.0 0.000 0.234 0.00-.34-.06 .12 .34 .27 .16 -0.300 25 8 24 9 0.0 18089.260 36.48 11.50 0.150 0.002 2.7 0.000 0.319 0.00-.24-.17 .05 .24 .28 .11 -0.180 98 42 84 56 0.0 55206.078 85.13 12.78 0.078 0.003 5.5 0.000 0.161 0.00-.11-.07 .03 .11 .16 .11 -0.060 238 110 206 142 0.0 55380.130 88.34 13.18 0.109 0.004 8.7 0.000 0.201 0.00 .01-.06 .04 .04 .13 .09 0.060 143 75 128 90 0.0 38709.756 64.71 12.28 0.092 -0.008 4.4 0.000 0.188 0.00 .12-.12 .01 .12 .20 .09 0.180 58 31 55 34 3.4 22749.800 44.42 11.80 0.082 -0.002 2.5 0.000 0.171 0.00 .23-.22-.05 .23 .40 .12 0.300 25 14 23 16 4.0 11819.459 27.54 11.49 0.097 -0.017 2.1 0.000 0.193 0.00 .36-.19-.10 .36 .33 .13 0.420 18 9 18 9 0.0 8539.318 21.79 11.20 0.110 -0.029 1.7 0.000 0.219 0.00 .48-.09-.16 .48 .52 .21 0.540 8 5 8 5 12.5 4727.188 14.04 11.39 0.160 -0.128 2.6 0.000 0.321 0.00 .58-.03-.13 .59 .34 .16 0.660 8 1 8 1 0.0 7486.187 18.77 11.23 0.432 0.013 2.8 0.000 0.863 0.00 .71-.33-.12 .71 .54 .24 0.780 4 3 4 3 0.0 4826.100 14.08 10.88 0.119 0.025 1.8 0.000 0.238 0.00 .83 .13 .06 .83 .59 .77 0.900 7 0 7 0 28.6 8265.661 22.47 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .97 .11 .07 .97 .45 .53 1.020 5 1 5 1 20.0 11348.162 26.04 10.97 0.003 -0.001 0.1 0.000 0.006 0.00 1.1-.45-.26 1.1 .79 .29 1.140 4 0 4 0 0.0 8540.646 21.80 10.83 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .57-.21 1.2 .90 .22 1.260 2 0 2 0 0.0 14176.100 26.19 10.82 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .27-.10 1.3 1.3 .12 1.380 21 4 20 5 23.8 3117.997 10.11 10.86 0.412 -0.024 3.3 0.000 1.101 0.00 2.6 .17-.17 3.4 1.3 .32 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 3 2 3 2 0.0 39673.934 44.17 11.15 0.101 0.038 5.9 0.000 0.202 0.00 1.3-2.2-.23 1.9 2.3 .23 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 0 1 0 0.0 16646.100 30.54 10.94 0.000 0.000 0.0 0.000 0.000 0.00 1.1-1.2-.16 1.1 1.2 .16 -1.140 3 0 3 0 0.0 10261.327 26.73 11.01 0.000 0.000 0.0 0.000 0.000 0.00 1.2-1.1-.24 1.3 1.1 .29 -1.020 2 0 2 0 0.0 7778.050 19.30 10.87 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.98-.11 1.1 .99 .11 -0.900 5 2 5 2 20.0 16848.428 32.98 11.05 0.107 -0.047 3.1 0.000 0.215 0.00 .43-.84-.12 .81 .84 .27 -0.780 8 5 8 5 12.5 14209.457 31.21 11.08 0.075 -0.028 2.9 0.000 0.151 0.00 .05-.74-.06 .65 .74 .16 -0.660 14 7 14 7 7.1 21089.424 39.31 11.06 0.075 -0.023 3.1 0.000 0.151 0.00 .59-.60-.02 1.3 .60 .21 -0.540 20 11 20 11 0.0 10357.548 25.34 11.23 0.089 -0.002 2.1 0.000 0.177 0.00 .12-.48-.08 .58 .48 .25 -0.420 33 21 31 23 0.0 18855.007 37.09 11.35 0.080 -0.020 2.8 0.000 0.157 0.00 .22-.36 .00 .47 .36 .11 -0.300 87 47 79 55 2.3 31091.697 54.87 11.80 0.063 0.011 2.5 0.000 0.130 0.00 .10-.23 .03 .28 .23 .14 -0.180 197 110 169 138 0.0 43350.815 70.56 12.74 0.096 0.009 5.8 0.000 0.196 0.00 .03-.11 .04 .24 .12 .11 -0.060 222 84 202 104 0.9 53601.016 89.49 13.05 0.116 -0.009 9.1 0.000 0.240 0.00 .01-.01 .01 .27 .04 .11 0.060 51 21 49 23 3.9 36566.513 69.34 12.26 0.089 0.012 4.6 0.000 0.177 0.00 .10 .10 .01 .49 .11 .18 0.180 22 3 21 4 9.1 9990.799 30.74 11.33 0.424 -0.002 2.7 0.000 0.984 0.00 .19 .23-.06 .57 .24 .20 0.300 1 1 1 1 0.0 1078.200 4.32 11.55 2.451 -2.451 10.6 0.000 4.903 0.00-.49 .38 .24 .49 .38 .24 0.420 10 1 10 1 0.0 7373.375 22.70 11.10 0.244 0.005 2.3 0.000 0.488 0.00 .70 .46-.18 .94 .46 .22 0.540 2 0 2 0 0.0 6554.600 16.99 11.06 0.000 0.000 0.0 0.000 0.000 0.00 1.0 .56-.19 1.0 .56 .20 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 3 0 3 0 33.3 3123.701 10.82 10.82 0.000 0.000 0.0 0.000 0.000 0.00 .04 .83-.03 2.1 .83 .16 0.900 1 0 1 0100.0 98.790 0.55 10.76 0.000 0.000 0.0 0.000 0.000 0.00 3.0 .92 .76 3.0 .92 .76 1.020 2 0 2 0 50.0 1333.650 5.68 10.70 0.000 0.000 0.0 0.000 0.000 0.00 2.6 1.1-.17 3.1 1.1 .21 1.140 2 0 2 0 0.0 6387.501 19.40 10.78 0.000 0.000 0.0 0.000 0.000 0.00 1.4 1.2-.20 1.5 1.2 .21 1.260 3 0 3 0 33.3 540.639 3.14 10.87 0.000 0.000 0.0 0.000 0.000 0.00 1.3 1.3-.28 1.5 1.3 .28 1.380 4 2 4 2 50.0 1289.057 4.57 10.90 1.165 -0.219 2.8 0.000 2.330 0.00 3.4 2.0-.19 5.9 2.2 .47 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 1 1 1 1 0.0 8411.700 19.15 11.05 0.104 0.104 2.0 0.000 0.209 0.00 .86-.44-.88 .86 .44 .88 -0.780 1 0 1 0100.0 12.073 0.05 10.69 0.000 0.000 0.0 0.000 0.000 0.00 12. 3.4-.70 12. 3.4 .70 -0.660 1 0 1 0100.0 -507.002 -2.68 10.98 0.000 0.000 0.0 0.000 0.000 0.00 .99 .30-.58 .99 .30 .58 -0.540 4 1 4 1 0.0 4599.570 14.04 11.21 0.003 -0.002 0.1 0.000 0.006 0.00 1.6-.52-.45 2.2 .79 .45 -0.420 10 5 10 5 20.0 3938.537 13.52 11.29 0.360 -0.046 3.0 0.000 0.721 0.00 .91 .20-.34 1.0 .75 .34 -0.300 33 11 33 11 6.1 32527.010 76.92 11.47 0.109 0.006 2.4 0.000 0.217 0.00 .84-.10-.23 1.3 .91 .23 -0.180 117 50 114 53 3.4 29883.359 58.69 11.69 0.101 -0.004 3.5 0.000 0.199 0.00 .28-.10-.11 .50 .37 .11 -0.060 326 137 274 189 0.3 36381.293 61.05 12.38 0.103 -0.013 5.8 0.000 0.203 0.00 .06-.08 .00 .25 .19 .03 0.060 158 79 142 95 1.3 49748.283 83.52 13.05 0.097 0.006 6.9 0.000 0.197 0.00-.09-.12 .11 .43 .22 .11 0.180 34 18 33 19 0.0 63081.000 116.73 13.18 0.080 0.055 10.0 0.000 0.177 0.00-.18-.11 .23 .40 .23 .23 0.300 6 2 6 2 16.7 58310.745 122.82 12.47 0.113 -0.005 2.6 0.000 0.226 0.00-.07-.29 .33 .47 .43 .33 0.420 1 1 1 1100.0 138.921 0.68 11.17 1.856 -1.856 1.3 0.000 3.712 0.00-1.1 1.6 .48 1.1 1.6 .48 0.540 1 0 1 0 0.0 636.178 3.13 10.93 0.000 0.000 0.0 0.000 0.000 0.00 .97-.21 .62 .97 .21 .62 0.660 1 0 1 0100.0 98.790 0.55 10.76 0.000 0.000 0.0 0.000 0.000 0.00 3.0 .92 .76 3.0 .92 .76 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 1 0 1 0100.0 392.949 1.90 10.94 0.000 0.000 0.0 0.000 0.000 0.00 1.0 .18 1.1 1.0 .18 1.1 1.140 1 1 1 1 0.0 1498.500 5.77 11.04 0.245 0.245 1.4 0.000 0.490 0.00 .81-.02 1.2 .81 .02 1.2 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 318 0 318 0 3.8 39639.229 75.71 12.04 0.000 0.000 0.0 0.000 0.000 0.00 .19-.03-.01 .96 .44 .16 1.000 378 189 189 378 1.3 37693.344 63.95 12.65 0.099 0.000 5.7 0.000 0.192 0.00 .09-.13 .02 .28 .27 .14 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 696 189 507 378 2.4 38582.412 68.98 12.37 0.099 0.000 5.7 0.000 0.192 0.00 .13-.09 .00 .68 .36 .15 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 neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 111 25 86 50 0.0 102763.58 162.78 14.69 0.112 0.000 18.4 0.000 0.211 0.00 .01-.04 .06 .07 .08 .13 1.890 99 30 69 60 1.0 56822.785 88.56 13.06 0.082 0.000 5.8 0.000 0.158 0.00-.04-.06 .03 .11 .14 .12 1.503 86 33 53 66 0.0 34721.726 57.43 12.56 0.112 0.000 5.6 0.000 0.227 0.00 .05-.09 .02 .11 .16 .09 1.313 81 26 55 52 0.0 26598.535 45.38 12.10 0.097 0.000 3.5 0.000 0.191 0.00 .11-.11-.01 .17 .31 .11 1.194 74 25 49 50 2.7 23468.802 39.19 11.93 0.065 0.000 2.3 0.000 0.133 0.00 .06-.14-.01 .17 .31 .09 1.108 63 17 46 34 4.8 13527.074 28.21 11.60 0.125 0.000 2.8 0.000 0.249 0.00 .02-.08-.01 .32 .33 .15 1.043 53 13 40 26 3.8 16235.500 30.89 11.35 0.090 0.000 2.5 0.000 0.185 0.00 .18-.16-.03 .42 .39 .11 0.991 50 9 41 18 4.0 11590.315 25.36 11.09 0.074 0.000 2.0 0.000 0.152 0.00 .26-.08-.04 .62 .51 .14 0.948 47 8 39 16 6.4 8847.099 21.61 10.95 0.057 0.000 1.3 0.000 0.114 0.00 .47-.20-.03 .98 .68 .33 0.911 32 3 29 6 12.5 7371.505 20.08 10.77 0.166 0.000 2.2 0.000 0.350 0.00 1.0 .14-.04 2.7 .79 .26 0.880 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 46 15 40 21 37.0 469.985 2.53 11.69 0.671 -0.271 1.9 0.000 1.637 0.00 .73 .23-.04 2.0 .81 .33 967.814 30 13 28 15 0.0 1424.047 5.87 11.73 0.364 -0.085 2.3 0.000 0.828 0.00 .20-.05 .03 .61 .31 .28 1935.629 45 15 42 18 0.0 2892.462 10.10 11.70 0.217 0.029 2.1 0.000 0.499 0.00 .15-.01-.02 .72 .32 .13 3871.258 75 24 63 36 0.0 5830.401 16.74 11.86 0.196 -0.045 5.4 0.000 0.532 0.00 .14-.08-.02 .85 .35 .13 7742.516 113 38 92 59 0.0 11668.112 25.65 11.94 0.109 -0.013 2.9 0.000 0.253 0.00 .16-.13-.00 .53 .41 .14 15485.031 135 55 107 83 0.0 22351.421 39.16 12.12 0.094 -0.014 3.8 0.000 0.214 0.00 .10-.20 .00 .26 .34 .09 30970.062 126 53 100 79 0.0 43271.346 60.72 12.64 0.102 -0.004 6.7 0.000 0.236 0.00 .03-.10 .02 .12 .18 .09 61940.125 75 28 57 46 0.0 81947.680 95.73 13.34 0.106 0.013 10.2 0.000 0.237 0.00-.00-.07 .01 .09 .21 .09 123880.250 43 9 35 17 0.0 176342.49 181.64 14.03 0.096 0.004 20.5 0.000 0.187 0.00 .01-.06 .07 .09 .10 .15 247760.500 8 2 6 4 0.0 338080.75 263.28 15.53 0.039 0.000 9.0 0.000 0.077 0.00 .02-.02 .05 .08 .05 .09 495521.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 5 16 5100.0 122.988 0.65 11.41 1.486 -0.863 1.7 0.000 2.972 0.00 1.4 .44-.08 3.3 1.1 .38 1.852 13 7 12 8 7.7 502.454 2.76 11.82 0.450 -0.147 1.2 0.000 0.949 0.00 .30-.02 .05 .48 .49 .41 3.431 37 14 33 18 0.0 1076.066 4.83 11.62 0.506 -0.173 2.5 0.000 1.234 0.00 .32 .07 .00 .80 .50 .27 6.354 54 18 50 22 0.0 2870.946 9.33 11.67 0.219 0.016 2.0 0.000 0.493 0.00 .32-.05-.05 1.0 .60 .15 11.769 87 28 71 44 0.0 6329.254 17.18 11.59 0.136 -0.009 2.4 0.000 0.329 0.00 .06-.11-.02 .66 .29 .15 21.799 189 62 142 109 0.0 16035.498 31.09 11.95 0.087 -0.005 2.8 0.000 0.184 0.00 .14-.16 .00 .36 .30 .10 40.375 159 59 116 102 0.0 39383.898 55.61 12.52 0.097 -0.002 6.5 0.000 0.197 0.00 .04-.13 .01 .15 .26 .08 74.783 89 28 69 48 0.0 76800.441 98.59 13.69 0.121 0.001 12.6 0.000 0.250 0.00-.02-.06 .03 .09 .13 .10 138.512 44 11 35 20 0.0 177837.39 188.78 14.22 0.067 0.004 12.6 0.000 0.135 0.00 .01-.05 .08 .07 .10 .14 256.551 8 1 7 2 0.0 268316.88 350.86 14.33 0.205 0.000 67.9 0.000 0.341 0.00 .06-.05 .03 .13 .09 .18 475.181 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 85 43 43 85 0.0 53103.051 77.12 12.63 0.017 0.000 1.0 0.000 0.035 0.00 .08-.15 .03 .19 .24 .12 0.030 50 27 27 50 0.0 34230.046 59.04 12.39 0.046 0.002 2.1 0.000 0.090 0.00 .11-.15 .02 .28 .23 .07 0.060 37 26 26 37 0.0 21941.326 40.26 12.48 0.075 0.029 2.6 0.000 0.155 0.00 .08-.15 .01 .17 .22 .09 0.090 51 43 43 51 0.0 45466.026 64.59 12.67 0.106 0.049 5.7 0.000 0.213 0.00 .06-.17-.01 .22 .37 .16 0.120 46 46 46 46 0.0 38086.246 58.84 12.65 0.137 0.012 6.8 0.000 0.273 0.00 .04-.12 .01 .16 .20 .10 0.150 25 25 25 25 4.0 44886.941 79.45 12.99 0.163 0.036 9.8 0.000 0.327 0.00 .08-.16 .04 .25 .24 .14 0.180 21 21 21 21 0.0 43554.605 69.55 13.40 0.197 0.044 12.1 0.000 0.393 0.00 .06-.09 .00 .13 .14 .05 0.210 5 5 5 5 0.0 53741.446 94.38 12.36 0.222 -0.208 16.7 0.000 0.444 0.00 .09-.09 .03 .15 .18 .07 0.240 14 14 14 14 0.0 23818.700 60.20 12.62 0.255 -0.148 12.5 0.000 0.510 0.00 .15-.07 .10 .45 .19 .34 0.270 6 6 6 6 0.0 18367.892 46.58 13.27 0.286 -0.279 9.0 0.000 0.573 0.00 .08-.10-.06 .18 .12 .14 0.300 5 5 5 5 0.0 34548.699 75.31 14.38 0.316 -0.256 21.7 0.000 0.632 0.00 .04-.01 .04 .09 .09 .07 0.330 6 6 6 6 0.0 18865.250 46.23 12.20 0.352 -0.301 12.3 0.000 0.704 0.00 .06-.11-.04 .27 .32 .09 0.360 1 1 1 1 0.0 2874.100 8.13 11.66 0.362 0.362 2.9 0.000 0.723 0.00-.05-.02 .00 .05 .02 .00 0.390 4 4 4 4 0.0 11931.451 35.99 13.01 0.414 0.335 14.9 0.000 0.827 0.00 .15-.12-.01 .23 .20 .18 0.420 1 1 1 1 0.0 1767.500 6.57 11.28 0.432 0.432 2.8 0.000 0.863 0.00 .75-.50-.19 .75 .50 .19 0.450 2 2 2 2 0.0 1175.426 5.10 12.46 0.468 -0.468 2.3 0.000 0.936 0.00-.07-.03 .03 .07 .07 .03 0.480 1 1 1 1 0.0 764.110 4.08 10.80 0.481 -0.481 2.0 0.000 0.961 0.00 .44 .26-.06 .44 .26 .06 0.510 2 2 2 2 0.0 13548.600 35.84 12.55 0.521 -0.521 15.3 0.000 1.043 0.00 .10-.07 .01 .13 .08 .04 0.540 2 2 2 2 0.0 1984.100 8.15 11.96 0.559 -0.559 4.5 0.000 1.118 0.00 .88-.36 .03 1.3 .45 .07 0.570 14 13 13 14 28.6 1327.099 6.58 12.20 1.538 -1.513 12.7 0.000 3.160 0.00 .16 .15-.01 .79 .66 .25 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 20 20 20 20 20.0 2596.404 11.50 12.21 0.888 -0.894 11.1 0.000 1.776 0.00 .25 .10-.01 .78 .56 .21 -0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.420 1 1 1 1 0.0 4660.100 12.42 11.27 0.403 -0.403 5.0 0.000 0.806 0.00-.09-.40 .13 .09 .40 .13 -0.380 2 2 2 2 0.0 47665.451 90.07 13.55 0.354 -0.354 28.7 0.000 0.707 0.00 .05 .00 .01 .07 .02 .05 -0.340 4 4 4 4 0.0 41382.049 81.25 14.47 0.318 -0.318 25.4 0.000 0.636 0.00 .14-.21 .02 .28 .38 .09 -0.300 5 5 5 5 0.0 24870.080 48.84 12.97 0.284 -0.284 11.9 0.000 0.568 0.00-.02-.10 .02 .09 .12 .08 -0.260 8 8 8 8 0.0 51109.741 114.88 12.87 0.244 -0.244 22.7 0.000 0.488 0.00 .05-.09 .03 .17 .16 .08 -0.220 15 15 15 15 0.0 30176.520 51.47 12.72 0.201 -0.201 9.5 0.000 0.403 0.00 .07-.10-.01 .15 .16 .05 -0.180 19 19 19 19 5.3 33784.736 57.03 12.56 0.156 -0.156 7.1 0.000 0.312 0.00 .08-.16 .02 .27 .26 .11 -0.140 28 28 28 28 0.0 37874.754 59.10 12.20 0.124 -0.124 6.1 0.000 0.247 0.00 .08-.22-.01 .21 .39 .08 -0.100 21 21 21 21 0.0 19894.886 39.18 12.62 0.082 -0.082 2.8 0.000 0.165 0.00 .06-.15 .03 .19 .22 .12 -0.060 39 39 39 39 0.0 42622.572 67.90 12.14 0.036 -0.036 2.0 0.000 0.072 0.00 .14-.18 .01 .22 .26 .06 -0.020 56 29 29 56 0.0 49294.841 75.04 12.75 0.012 0.000 0.7 0.000 0.024 0.00 .09-.16 .03 .21 .25 .14 0.020 40 40 40 40 0.0 45061.755 68.67 12.62 0.035 0.035 1.9 0.000 0.070 0.00 .04-.13 .04 .27 .19 .09 0.060 32 32 32 32 0.0 30315.798 48.98 12.48 0.084 0.084 3.4 0.000 0.168 0.00 .06-.14 .00 .16 .32 .10 0.100 40 40 40 40 0.0 43538.568 63.13 12.75 0.114 0.114 5.8 0.000 0.228 0.00 .06-.14-.01 .21 .22 .18 0.140 19 19 19 19 0.0 61731.223 92.32 13.69 0.157 0.157 12.5 0.000 0.314 0.00 .04-.10 .06 .12 .13 .14 0.180 8 8 8 8 0.0 70192.301 96.96 14.56 0.195 0.195 17.7 0.000 0.391 0.00 .03-.04 .01 .06 .06 .05 0.220 6 6 6 6 0.0 11636.134 30.55 12.08 0.250 0.250 5.1 0.000 0.501 0.00 .11-.05 .23 .35 .25 .52 0.260 4 4 4 4 0.0 2447.938 10.57 13.00 0.266 0.266 2.4 0.000 0.532 0.00 .49-.13-.12 .73 .16 .15 0.300 3 3 3 3 0.0 6469.700 18.40 12.16 0.313 0.313 5.3 0.000 0.625 0.00-.01-.03-.04 .17 .13 .06 0.340 3 3 3 3 0.0 2846.967 9.04 11.76 0.356 0.356 3.2 0.000 0.711 0.00-.04 .07-.02 .15 .11 .09 0.380 3 3 3 3 0.0 14355.234 45.30 13.59 0.415 0.415 18.2 0.000 0.830 0.00 .23-.03-.06 .26 .04 .20 0.420 1 1 1 1 0.0 1767.500 6.57 11.28 0.432 0.432 2.8 0.000 0.863 0.00 .75-.50-.19 .75 .50 .19 0.460 1 1 1 1 0.0 831.665 4.22 11.28 0.611 0.611 2.6 0.000 1.222 0.00-.51-.50 .17 .51 .50 .17 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 83 43 43 83 2.4 15462.114 32.54 12.16 0.013 0.000 0.4 0.000 0.028 0.00 .14-.15-.01 .31 .24 .12 1.000 59 33 33 59 1.7 26954.576 49.91 12.12 0.029 0.001 1.5 0.000 0.060 0.00 .07-.14 .06 .25 .31 .21 2.000 47 29 29 47 2.1 37475.913 65.89 12.48 0.038 0.001 2.5 0.000 0.080 0.00 .07-.13-.01 .27 .22 .16 3.000 44 31 31 44 2.3 32175.781 56.29 12.53 0.061 0.015 3.5 0.000 0.135 0.00 .10-.16 .00 .33 .26 .12 4.000 26 23 23 26 0.0 15780.552 32.25 12.19 0.136 -0.025 4.4 0.000 0.288 0.00 .23-.16-.04 .58 .52 .13 5.000 20 15 15 20 0.0 55600.135 75.38 12.87 0.071 0.008 5.4 0.000 0.163 0.00-.03-.12 .04 .11 .17 .09 6.000 17 17 17 17 0.0 34396.677 52.10 12.49 0.127 0.058 6.5 0.000 0.253 0.00 .13-.25-.00 .21 .48 .11 7.000 12 11 11 12 0.0 51243.942 67.02 12.96 0.111 0.017 7.4 0.000 0.222 0.00 .04-.08 .02 .10 .12 .07 8.000 11 11 11 11 0.0 43695.327 62.20 12.68 0.134 -0.117 8.4 0.000 0.269 0.00 .02-.11 .02 .09 .13 .06 9.000 9 9 9 9 0.0 47984.544 65.64 13.27 0.145 0.102 9.5 0.000 0.290 0.00-.00-.02 .00 .08 .10 .07 10.000 4 4 4 4 0.0 36213.526 54.46 12.56 0.192 -0.066 10.5 0.000 0.385 0.00-.06 .07 .11 .26 .20 .14 11.000 5 5 5 5 0.0 58804.920 74.12 13.21 0.157 -0.069 11.6 0.000 0.314 0.00 .02-.06 .01 .12 .09 .06 12.000 6 5 5 6 0.0 87864.283 127.79 14.63 0.097 0.045 12.5 0.000 0.186 0.00 .06-.09 .11 .08 .10 .12 13.000 3 3 3 3 0.0 139030.93 147.85 14.19 0.093 -0.037 13.7 0.000 0.186 0.00-.05-.05 .08 .09 .06 .09 14.000 2 2 2 2 0.0 104713.50 114.61 15.77 0.127 0.022 14.5 0.000 0.255 0.00-.05-.05 .04 .05 .06 .07 15.000 2 2 2 2 0.0 65072.150 81.23 13.87 0.190 0.190 15.4 0.000 0.380 0.00 .03-.05 .06 .09 .15 .12 16.000 4 4 4 4 0.0 90919.900 110.61 13.66 0.150 0.087 16.5 0.000 0.299 0.00-.05-.08 .06 .08 .10 .10 17.000 2 2 2 2 0.0 70313.451 90.16 14.00 0.194 -0.194 17.5 0.000 0.389 0.00-.06-.05 .06 .06 .06 .06 18.000 2 2 2 2 0.0 130963.25 136.58 14.61 0.138 0.047 18.9 0.000 0.276 0.00-.03-.01 .07 .04 .10 .11 19.000 1 1 1 1 0.0 115934.00 135.75 16.47 0.145 0.145 19.6 0.000 0.289 0.00-.03-.06 .05 .03 .06 .05 20.000 1 1 1 1 0.0 65026.801 105.91 15.95 0.192 0.192 20.3 0.000 0.383 0.00-.01-.01-.02 .01 .01 .02 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 2 2 2 2 0.0 165669.50 155.78 13.60 0.142 -0.142 22.1 0.000 0.284 0.00 .03-.13 .04 .05 .13 .04 23.000 2 2 2 2 0.0 76292.699 96.90 13.90 0.242 -0.242 23.5 0.000 0.484 0.00-.10-.09-.05 .13 .10 .06 24.000 14 8 8 14 0.0 100641.59 166.08 15.28 0.240 -0.018 45.1 0.000 0.424 0.00 .01-.05 .09 .04 .06 .13 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 696 189 507 378 2.4 38582.412 68.98 12.37 0.099 0.000 5.7 0.000 0.192 0.00 .13-.09 .00 .68 .36 .15 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 74 0 74 0 4.1 51848.415 90.68 12.84 0.000 0.000 0.0 0.000 0.000 0.00 .11-.06 .04 .32 .21 .17 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_18.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.890 86 164 52.44 1.29 0.112 25 15.24 0.112 162.78 0.0 to 1.503 155 325 47.69 1.35 0.100 55 16.92 0.082 88.56 1.0 to 1.313 208 481 43.24 1.42 0.103 88 18.30 0.112 57.43 0.0 to 1.194 263 634 41.48 1.43 0.102 114 17.98 0.097 45.38 0.0 to 1.108 312 788 39.59 1.45 0.099 139 17.64 0.065 39.19 2.7 to 1.043 358 938 38.17 1.44 0.100 156 16.63 0.125 28.21 4.8 to 0.991 398 1096 36.31 1.42 0.099 169 15.42 0.090 30.89 3.8 to 0.948 439 1248 35.18 1.41 0.099 178 14.26 0.074 25.36 4.0 to 0.911 478 1392 34.34 1.39 0.098 186 13.36 0.057 21.61 6.4 to 0.880 507 1549 32.73 1.37 0.099 189 12.20 0.166 20.08 12.5