SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:24:15 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 11 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-): 29.50 (from frame neal054_10_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_10_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_10_0001.sfrm) Base offset per exposure: 64 (from frame neal054_10_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_10_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 10:24:15 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_10_0001.sfrm Nominal time per frame (s): 50 Intensity normalization in deg/min: 1.2 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:24:16 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_10_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 10:24:16 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_10_0001.sfrm Active pixel mask written to neal054_am_10_0001.sfrm Fraction of mask marked active: 0.9773 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): 77.435 346.441 102.000 65.500 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: 92 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 10:24:16 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 = 98.17% 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 16 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 18 0.78 0.78 2.27 1.000 2_0003 6 0.17 -0.45 -0.30 0.41 0.51 0.40 31564 74 0 0.25 22 0.78 0.78 2.27 1.000 3_0004 7 0.78 -0.19 -0.22 0.80 0.74 0.37 3337.1 18 14 0.48 27 0.78 0.78 2.27 1.000 4_0005 14 0.35 -0.47 -0.25 0.49 0.59 0.34 39976 66 0 0.65 26 0.78 0.78 2.27 1.000 5_0006 10 0.03 -0.64 -0.22 0.35 0.71 0.36 52144 72 10 0.59 28 0.78 0.78 2.27 1.000 6_0007 7 0.08 -0.93 -0.50 0.52 1.20 0.57 23178 49 0 0.57 29 0.78 0.78 2.27 1.000 7_0008 8 0.11 -0.52 -0.33 0.47 0.71 0.49 7561.8 29 0 0.61 29 0.78 0.78 2.27 1.000 8_0009 15 0.33 -0.49 -0.10 0.48 0.70 0.28 20567 47 7 0.60 26 0.78 0.78 2.27 1.000 9_0010 8 0.57 -0.05 -0.36 0.87 0.48 0.39 20751 34 0 0.67 24 0.78 0.78 2.27 1.000 10_0011 7 0.40 -0.64 -0.24 0.65 0.96 0.48 62228 84 0 0.51 28 0.78 0.78 2.27 1.000 11_0012 10 0.34 -0.31 -0.14 0.53 0.38 0.31 19125 47 0 0.54 25 0.78 0.78 2.27 1.000 12_0013 9 0.54 -0.71 0.08 0.86 0.87 0.38 47314 78 0 0.68 30 0.78 0.78 2.27 1.000 13_0014 13 0.22 -0.49 -0.17 0.38 0.60 0.28 11779 34 8 0.63 27 0.78 0.78 2.27 1.000 14_0015 7 0.21 -0.56 -0.31 0.70 1.06 0.44 15984 32 0 0.62 28 0.78 0.78 2.27 1.000 15_0016 9 0.07 -0.61 -0.45 0.41 0.88 0.55 15889 46 11 0.62 27 0.78 0.78 2.27 1.000 16_0017 12 0.26 -0.35 -0.21 0.40 0.44 0.32 42367 70 0 0.61 27 0.78 0.78 2.27 1.000 17_0018 8 0.45 -0.30 -0.32 0.54 0.42 0.43 24558 47 0 0.60 27 0.78 0.78 2.27 1.000 18_0019 9 0.30 -0.54 -0.35 0.48 0.70 0.54 31396 49 0 0.59 26 0.78 0.78 2.27 1.000 19_0020 9 0.32 -0.27 -0.20 0.41 0.41 0.28 49061 67 0 0.60 27 0.78 0.78 2.27 1.000 Background pixels updated = 97.46% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.40 -0.56 -0.18 0.51 0.64 0.57 12600 45 0 0.64 28 0.78 0.78 2.27 1.000 21_0022 10 0.41 -0.57 -0.38 0.57 0.80 0.61 17398 47 0 0.59 26 0.78 0.78 2.27 1.000 22_0023 7 0.42 -0.98 -0.39 1.12 1.29 0.46 26902 47 14 0.62 28 0.78 0.78 2.27 1.000 23_0024 13 0.15 -0.35 -0.26 0.28 0.47 0.38 48808 73 0 0.62 27 0.78 0.78 2.27 1.000 24_0025 10 0.31 -0.32 -0.29 0.47 0.37 0.65 37400 63 10 0.62 25 0.78 0.78 2.27 1.000 25_0026 5 0.36 -0.40 -0.21 0.65 0.77 0.25 13690 37 0 0.61 27 0.78 0.78 2.27 1.000 26_0027 9 0.53 -0.16 -0.26 0.77 0.35 0.53 59215 80 0 0.65 24 0.78 0.78 2.27 1.000 27_0028 11 0.23 -0.33 0.05 0.30 0.39 0.21 65478 87 0 0.69 27 0.78 0.78 2.27 1.000 28_0029 12 0.28 -0.51 -0.19 0.36 0.62 0.26 6436.2 27 8 0.62 27 0.78 0.78 2.27 1.000 I/Sigma = 32.29 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.069 Region 1 Sum = 6868.14; Maximum = 78.1483; FM = 0.252 !Region 1: Section 1->3 0 0 0 1 0 0 0 0 0 0 1 1 2 1 0 1 0 0 5 12 12 8 4 3 1 1 0 1 1 0 0 -1 0 0 -1 -1 1 2 1 1 0 0 0 -1 -1 5 17 16 13 9 5 3 1 1 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 0 1 0 3 10 11 9 7 5 3 2 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 3 8 8 6 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 2 4 5 4 3 2 2 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 -1 -1 0 0 0 1 4 4 3 2 2 2 1 1 0 0 1 0 0 0 1 0 0 -1 1 1 0 0 0 1 0 0 0 3 4 3 2 2 1 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 0 1 1 0 1 2 2 2 2 2 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 1 1 2 1 0 0 !Region 1: Section 4->6 18 37 45 36 25 21 15 7 2 20 41 63 64 59 58 50 27 7 8 18 34 47 53 72 91 70 20 20 53 59 58 48 31 17 10 4 25 57 75 90 90 71 46 31 10 10 24 39 58 75 87 87 80 46 13 34 41 41 37 26 17 9 2 17 42 59 70 79 68 48 32 10 8 21 34 48 69 86 88 78 40 7 22 27 27 23 18 12 8 2 8 22 34 41 43 39 30 24 7 4 10 17 26 36 46 57 60 32 6 14 18 18 17 13 9 6 3 6 16 24 29 33 29 22 17 6 4 8 13 20 30 34 38 45 25 3 9 12 13 14 13 8 5 3 3 11 17 20 26 25 18 13 5 3 6 11 15 23 25 28 30 17 2 9 11 11 11 9 6 4 2 2 9 14 16 20 20 15 11 4 1 5 8 11 17 21 23 24 14 2 6 7 8 8 8 6 3 1 2 7 11 12 16 17 16 9 3 1 4 7 10 15 20 26 23 10 1 4 3 3 5 4 3 1 0 1 4 6 7 9 8 5 4 1 1 2 3 5 7 7 8 8 3 !Region 1: Section 7->9 1 4 8 16 24 51 90 85 29 0 1 2 3 5 16 32 37 17 0 0 0 0 0 1 2 4 3 2 7 12 21 38 66 91100 70 1 2 3 5 10 22 34 44 34 0 0 1 1 1 1 2 4 4 3 7 10 16 32 62 88 94 60 1 2 3 4 9 20 34 42 31 0 0 1 1 1 1 3 5 4 2 4 5 9 19 36 62 75 49 0 0 1 3 6 13 25 35 25 -1 -1 0 1 1 1 3 5 4 3 3 5 8 15 24 38 58 40 1 1 2 2 4 9 16 27 21 0 0 0 0 1 1 2 3 3 2 3 4 7 11 17 26 37 27 1 2 2 3 4 7 11 17 15 0 0 0 1 2 2 1 2 3 1 3 4 6 8 14 22 29 20 0 1 2 2 3 6 9 14 11 0 0 1 1 1 2 1 2 2 1 2 4 6 8 14 25 29 15 1 2 2 2 3 5 9 13 8 0 1 1 0 0 1 1 1 2 1 1 1 2 3 4 8 10 5 0 1 1 1 2 2 3 5 3 0 1 0 0 1 1 1 0 1 I/Sigma = 269.73 Thresh = 0.020 Blend = F #Contributing = 65 InitialProfileWt = 0.035 Region 2 Sum = 376478; Maximum = 5166.85; FM = 0.909 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 1 0 0 0 1 3 8 15 12 4 1 1 0 0 0 0 1 0 0 0 0 0 0 2 5 11 10 3 1 0 0 1 5 14 33 33 11 2 1 0 0 0 0 1 1 0 0 0 0 0 2 8 17 19 9 2 0 0 1 7 24 49 56 28 6 1 0 0 0 0 1 1 0 0 0 0 0 3 9 17 21 15 4 0 0 1 10 28 49 63 45 13 1 0 0 0 0 1 1 0 0 0 0 0 3 8 13 18 12 3 0 0 1 11 25 40 53 35 10 1 0 0 0 0 0 0 0 0 0 0 0 2 6 9 10 4 1 0 0 1 7 18 29 29 11 2 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 3 1 0 0 0 0 3 9 15 10 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 !Region 2: Section 4->6 0 1 4 7 7 3 1 0 0 0 1 4 9 12 8 4 1 0 0 0 2 7 12 9 5 2 1 1 3 10 20 19 9 4 2 0 0 2 9 26 33 21 12 5 1 0 1 7 28 38 25 14 7 2 1 6 20 43 43 20 7 2 1 1 5 26 65 70 40 17 7 2 0 4 25 76 86 48 22 10 2 1 9 29 57 63 37 10 2 0 1 10 44 78 82 58 23 7 2 1 10 53 96100 70 31 10 2 2 13 34 57 70 53 19 3 1 2 19 55 78 86 72 35 9 2 2 24 71 97100 83 45 13 3 2 13 32 49 58 40 12 2 0 2 20 51 69 72 57 25 5 1 2 26 67 84 85 69 34 9 2 1 7 22 35 32 15 4 1 0 1 7 30 51 49 29 9 2 1 1 9 38 63 63 39 15 4 1 0 3 11 19 13 4 1 1 0 0 2 11 28 26 11 4 1 0 0 2 13 34 34 16 6 3 1 0 1 2 3 2 1 0 0 0 0 0 2 5 5 2 1 0 0 0 0 2 7 7 3 1 1 0 !Region 2: Section 7->9 0 0 1 2 5 4 3 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 12 19 13 7 4 1 0 0 1 3 4 4 2 2 0 0 0 0 0 1 1 0 0 0 0 1 11 36 45 26 13 7 2 0 0 2 8 12 7 4 2 1 0 0 0 1 1 1 0 0 0 0 5 27 52 57 38 18 7 1 0 1 6 14 16 10 5 2 0 0 0 1 2 2 1 1 0 0 1 13 40 56 55 42 23 9 2 0 3 10 15 14 10 6 3 1 0 0 1 1 1 1 1 0 0 1 16 42 49 46 36 20 8 2 0 5 12 14 12 9 5 3 1 0 0 1 1 1 1 1 0 0 1 8 25 35 34 22 10 4 1 0 3 8 9 8 6 4 2 0 0 0 1 1 1 1 0 0 0 0 2 9 18 19 11 6 4 1 0 1 3 5 5 4 3 2 0 0 0 0 1 1 0 0 0 0 0 0 2 4 4 2 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 136.96 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.035 Region 3 Sum = 99106; Maximum = 1553.36; FM = 0.579 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 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 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 1 1 2 3 2 1 0 0 0 1 3 7 9 8 5 1 0 0 1 3 7 9 9 7 2 0 0 1 3 5 7 6 4 1 0 1 2 8 16 21 21 14 5 0 1 2 8 16 23 25 21 8 0 1 1 3 7 10 9 5 2 0 1 4 14 28 37 32 19 6 0 1 4 17 34 45 39 27 10 0 1 2 4 8 10 8 5 1 0 2 8 26 42 47 36 21 7 0 2 10 36 62 68 54 34 12 0 1 2 4 8 10 8 4 1 0 4 14 33 51 58 43 21 7 1 5 21 53 83 92 70 39 13 0 1 3 5 9 10 7 4 1 1 7 22 40 57 61 43 21 6 1 11 36 67 92100 75 39 12 1 2 3 6 8 8 5 2 1 1 9 23 41 56 51 34 15 4 1 14 41 69 91 87 62 32 9 1 2 3 5 6 4 2 1 0 1 7 16 33 41 31 19 9 3 2 11 30 57 68 57 39 21 6 0 1 1 2 2 1 1 1 0 0 3 5 13 14 9 7 4 1 1 4 9 23 26 17 13 8 2 !Region 3: Section 7->9 0 0 0 1 2 4 5 5 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 6 10 14 16 7 0 0 1 1 1 3 4 6 3 0 0 0 0 0 0 0 1 0 0 1 2 7 18 24 24 22 9 0 0 1 2 6 8 9 9 4 0 0 0 0 1 1 1 1 0 0 1 5 20 41 47 40 31 10 0 0 1 6 16 18 16 14 4 0 0 0 1 2 2 2 2 1 0 3 12 37 65 71 56 37 12 0 1 3 13 27 29 22 17 5 0 0 0 1 3 3 3 2 1 1 6 24 50 74 80 63 38 12 0 2 8 19 30 32 25 18 6 0 0 0 2 3 3 3 2 1 1 10 33 53 69 71 54 33 11 0 4 13 20 26 27 22 16 5 0 0 1 2 2 2 2 2 1 1 9 28 46 52 48 36 24 8 1 4 13 18 20 18 15 12 4 0 0 1 2 2 2 2 2 1 0 3 9 18 22 13 13 9 3 0 1 4 7 9 5 6 4 1 0 0 0 1 1 1 1 0 0 I/Sigma = 24.21 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 4 Sum = 3151.49; Maximum = 70.4313; FM = 0.156 !Region 4: Section 1->3 0 0 0 1 -1 0 0 0 0 1 0 0 0 0 1 0 -1 0 0 0 1 1 2 1 0 0 0 1 1 0 0 0 0 0 0 0 1 2 0 0 0 1 0 0 0 1 1 2 1 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 -1 0 1 2 1 2 2 2 3 0 0 0 0 -1 0 0 -1 -1 0 0 0 0 0 1 1 -1 -1 0 0 0 2 2 3 2 2 1 1 0 0 0 0 1 0 -1 0 0 -1 -1 -1 0 2 1 -1 0 0 0 0 1 1 3 2 2 2 1 0 -1 0 1 1 1 0 0 0 0 -1 -1 0 1 1 0 0 0 0 1 1 1 2 3 2 1 0 0 -1 0 1 1 0 0 -1 -1 0 -1 0 1 1 1 0 -1 0 1 1 2 1 4 2 0 0 1 0 0 -1 1 1 0 -1 -1 0 0 0 0 1 1 0 -1 0 1 0 1 3 1 2 1 0 1 2 0 1 0 0 0 -1 0 0 0 0 0 1 0 0 -1 -1 1 0 0 1 1 0 0 0 0 1 0 !Region 4: Section 4->6 0 0 1 3 5 7 2 2 1 0 2 5 11 17 50 26 25 9 1 3 6 14 25 72 52 60 18 0 1 4 6 8 8 4 5 3 1 2 7 20 35 53 41 44 28 2 3 8 25 48 83 84100 60 0 1 3 4 6 8 6 7 2 1 3 5 12 24 35 36 39 21 2 4 6 16 32 53 69 83 44 0 1 5 4 5 6 6 4 2 0 2 5 8 16 25 29 25 13 0 2 4 10 21 36 51 55 30 0 1 2 2 4 4 6 4 2 0 2 2 6 11 17 24 21 11 0 2 3 8 14 26 41 44 22 1 3 3 3 4 5 5 3 2 1 2 3 6 9 15 20 20 11 0 1 3 6 11 22 33 38 21 1 3 3 3 5 4 2 2 1 1 2 3 5 8 11 16 14 8 0 1 2 4 9 16 26 28 16 1 2 5 2 2 3 2 2 2 0 1 3 3 6 13 11 13 6 0 0 1 2 7 18 19 26 13 0 1 2 1 0 1 1 1 0 0 0 1 1 2 6 6 5 3 0 0 0 0 3 9 10 11 6 !Region 4: Section 7->9 1 2 3 6 14 32 35 48 12 0 2 2 2 4 5 8 12 4 0 1 1 1 1 1 1 2 1 1 2 5 11 22 44 59 78 45 1 2 3 3 6 11 16 22 13 1 1 1 2 2 3 3 4 2 2 3 3 8 15 29 47 64 34 1 2 2 3 4 8 11 18 11 1 1 1 2 1 2 2 3 2 1 2 2 5 11 19 33 44 24 0 1 1 2 4 5 7 13 7 0 1 1 1 2 1 1 2 1 0 2 2 4 7 14 26 32 17 0 1 0 1 2 2 6 8 5 0 0 -1 1 1 0 1 1 1 0 1 2 3 6 11 20 25 14 0 0 0 1 1 2 5 7 3 0 -1 0 0 0 0 1 1 0 0 1 2 2 4 9 14 19 11 -1 0 1 0 0 2 3 5 2 0 0 0 0 0 0 1 1 0 0 0 1 1 3 9 11 17 10 -2 -1 1 1 0 2 2 4 2 -1 -1 0 1 0 0 0 1 0 0 0 0 0 1 4 5 7 5 -1 -1 0 0 0 1 0 2 1 -1 0 0 0 0 0 0 0 0 I/Sigma = 15.93 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 5 Sum = 1919.21; Maximum = 22.8692; FM = 0.371 !Region 5: Section 1->3 0 3 0 -1 -2 -1 0 0 0 0 3 1 0 -1 0 1 1 0 0 3 3 1 2 3 4 1 1 -2 3 1 -2 -1 1 2 -1 0 0 5 4 1 2 2 2 2 4 1 6 4 7 8 4 2 6 6 -1 3 1 2 -1 1 -1 0 0 -1 5 3 4 3 0 1 4 1 1 7 5 5 6 -2 4 8 0 -3 -3 2 6 -1 2 3 2 1 -2 -1 2 6 2 2 6 3 1 1 1 2 6 3 -1 5 3 2 0 0 1 0 1 1 3 -2 1 0 -1 -1 1 3 4 4 0 1 -2 0 -1 2 4 4 5 5 2 0 -1 -2 -2 1 2 3 0 0 1 1 -1 0 1 2 6 3 2 3 7 3 2 0 0 8 7 5 -1 -1 -2 -5 -3 -2 -2 -2 -2 -1 0 -1 -2 -2 -2 1 1 -1 0 3 0 5 2 -2 6 4 2 -1 3 -1 -2 -2 -3 -1 -3 -2 -1 3 -1 -1 0 -2 1 -1 -1 -1 0 0 4 2 0 7 1 -1 -1 1 1 0 0 0 0 1 0 -2 0 2 0 -1 0 1 2 0 -2 -2 0 1 -1 0 4 2 0 !Region 5: Section 4->6 1 8 11 17 12 16 13 13 4 5 25 40 67 52 68 45 51 16 5 24 38 66 58 75 48 64 25 1 13 17 25 24 23 18 17 9 6 34 61 81 85 93 78 67 32 7 31 58 81 91100 86 86 47 2 9 12 19 18 13 13 16 7 4 18 37 63 67 68 58 57 38 4 19 36 62 71 76 67 70 50 2 3 10 18 13 12 10 11 9 3 12 24 50 54 63 48 43 29 5 14 21 46 56 68 57 51 31 -2 3 8 10 13 11 11 10 4 0 9 25 36 49 47 42 29 12 2 8 23 36 50 51 49 33 14 1 6 9 9 12 8 13 11 5 -2 3 22 29 42 42 42 34 16 -1 2 20 27 41 46 47 38 21 0 4 7 14 9 8 12 8 3 -2 3 17 26 27 39 38 28 11 -2 1 10 19 26 41 42 31 14 1 3 4 13 12 12 12 5 1 2 7 11 27 38 39 33 24 11 2 5 8 20 32 36 38 30 14 -1 -1 1 5 7 5 6 3 3 3 3 4 11 23 14 14 15 12 4 3 2 8 18 11 14 21 12 !Region 5: Section 7->9 2 7 9 18 19 23 25 57 39 0 3 1 3 4 4 15 40 38 0 1 1 1 1 1 4 8 11 4 13 14 22 27 33 44 78 55 2 8 -1 1 4 8 27 59 47 1 3 -1 0 1 3 8 14 12 4 12 9 15 23 27 32 54 43 3 8 -1 -1 6 10 19 38 30 1 2 -1 -1 2 3 6 8 6 4 10 6 12 20 22 28 35 19 3 7 0 4 11 6 14 23 12 1 1 -1 2 4 2 4 5 2 2 7 9 13 20 18 20 17 9 2 5 4 7 10 7 8 9 6 1 1 1 3 3 3 2 3 2 -2 1 8 10 15 14 16 16 10 -3 1 5 7 8 3 4 6 6 -1 1 2 3 3 1 1 2 2 1 3 -1 6 9 11 16 14 9 3 5 -3 4 5 0 5 8 8 1 2 -1 2 2 0 1 3 3 4 3 0 3 6 8 16 18 6 5 4 -1 0 1 0 4 10 4 2 2 0 1 1 0 0 2 2 2 1 -1 1 2 1 5 10 4 1 1 -1 -2 -1 -1 1 5 2 0 1 0 -1 0 0 0 2 1 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.01498; Maximum = 0.011076; FM = 0.404 !Region 6: Section 1->3 0 3 0 0 1 0 0 1 0 1 4 3 1 3 1 1 1 0 3 9 9 5 6 3 3 3 1 -1 4 2 0 1 1 0 0 0 1 6 6 3 4 2 2 2 2 5 13 14 10 10 5 4 6 4 -1 2 1 2 0 1 0 0 1 0 4 4 4 3 1 1 3 1 4 10 11 9 8 1 3 6 1 -2 -2 1 5 0 0 1 -1 0 0 0 2 6 3 1 3 1 0 3 5 7 10 6 1 4 6 2 0 0 1 1 2 0 1 -2 1 1 1 0 3 5 3 2 -1 1 1 4 3 6 7 4 4 4 2 -1 0 0 1 1 0 1 0 0 1 2 0 2 2 2 3 2 1 3 6 5 4 4 4 6 5 3 0 0 0 -1 -1 -1 0 -1 -1 0 1 0 0 0 0 2 0 -1 1 3 3 3 2 1 5 2 0 0 1 0 0 1 -1 -1 -1 -1 -1 2 1 1 1 0 1 -1 -1 -1 1 3 4 2 2 4 1 -1 0 0 1 1 2 0 0 0 0 -1 1 1 1 1 1 1 1 0 -1 0 0 2 1 1 3 1 -1 !Region 6: Section 4->6 7 21 22 19 16 15 11 9 2 12 37 45 55 48 59 39 37 9 9 31 38 53 54 70 52 57 18 12 33 36 33 28 23 17 14 6 23 59 74 81 81 84 66 50 22 19 49 65 78 88100 86 78 39 10 24 29 29 24 16 12 13 6 14 39 53 68 68 66 51 44 26 11 32 46 65 73 81 70 66 39 7 16 23 23 16 13 10 12 7 11 29 40 53 53 55 42 35 19 9 23 31 50 59 66 59 52 25 4 13 15 14 16 11 10 9 4 8 23 33 40 47 43 36 26 10 7 19 29 43 51 53 50 41 15 3 11 14 12 13 10 11 9 4 3 14 27 31 39 34 33 28 11 3 11 25 30 41 41 45 40 18 2 8 12 12 10 8 9 7 1 2 13 22 26 27 31 28 22 9 2 10 17 23 28 37 37 31 14 1 4 8 11 10 10 9 4 0 2 10 17 25 27 29 27 19 8 2 9 16 25 27 33 37 30 13 0 1 3 4 6 4 4 2 1 3 5 8 11 15 11 11 10 7 3 4 7 11 15 12 14 16 9 !Region 6: Section 7->9 3 9 11 16 20 30 35 49 26 1 2 3 3 4 6 14 26 22 1 1 2 1 1 1 2 4 5 7 17 21 25 33 45 53 72 43 3 6 4 4 6 12 24 42 29 2 2 1 2 2 3 6 8 6 4 14 16 21 29 38 44 58 35 2 7 3 0 7 10 19 31 20 1 2 0 -1 2 2 5 6 4 4 10 9 16 24 30 39 44 21 1 4 0 1 6 8 17 22 13 0 1 -1 0 2 2 3 4 3 3 10 11 15 20 26 32 35 14 1 5 3 3 6 8 12 15 7 0 1 1 1 2 2 2 1 1 1 5 11 11 17 20 29 29 14 -1 3 6 4 6 7 11 11 8 -1 2 3 2 2 2 2 2 2 2 5 6 9 13 18 23 21 11 2 3 1 4 5 6 9 9 7 1 1 0 2 2 1 1 1 3 3 5 5 9 11 14 23 25 10 4 5 2 2 4 3 8 12 6 2 2 1 1 1 0 1 2 2 2 2 2 4 6 6 8 13 6 3 3 1 1 2 2 3 6 4 1 2 1 0 1 1 0 1 1 I/Sigma = 18.18 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 7 Sum = 1957.22; Maximum = 19.884; FM = 0.442 !Region 7: Section 1->3 0 3 0 0 4 2 0 1 0 1 7 5 3 7 2 1 3 0 4 14 15 8 11 3 3 5 1 0 6 4 2 3 1 -1 1 1 2 9 11 5 7 2 1 4 1 8 18 24 12 13 5 7 8 2 0 1 3 2 1 1 1 0 2 2 3 7 5 4 1 1 2 1 8 13 19 14 12 4 2 6 2 0 -1 0 5 2 -1 -1 -4 -1 3 1 3 9 4 0 1 -1 0 5 7 12 14 9 2 3 10 2 1 1 0 3 3 -1 -2 -3 1 3 3 1 7 9 2 0 -2 0 4 8 7 10 12 5 3 3 3 -1 1 1 3 2 -2 0 0 1 0 2 1 4 5 2 1 1 1 4 6 7 7 8 9 5 4 1 0 2 1 2 2 0 2 1 -1 1 3 1 2 3 2 4 0 -1 2 3 6 1 2 4 5 1 -2 0 0 2 3 3 0 -1 0 -1 0 2 2 3 3 2 1 0 -2 0 2 5 4 4 5 3 0 -2 0 -1 1 2 4 1 -1 0 0 0 1 1 3 4 1 0 0 -1 0 1 1 2 3 1 2 1 -2 !Region 7: Section 4->6 10 29 27 16 16 12 7 5 1 16 49 44 36 39 46 27 23 3 14 43 39 38 47 61 42 41 7 21 47 47 33 25 19 16 11 3 40 88 85 77 70 74 56 35 13 36 78 79 78 85100 82 63 24 17 36 42 35 26 17 10 11 5 25 62 69 72 63 61 43 31 16 19 50 61 72 75 81 63 54 25 12 28 36 27 18 13 9 14 5 21 50 60 58 53 50 37 28 10 16 38 45 62 68 67 59 47 14 9 23 22 18 19 11 8 8 4 17 41 44 49 48 41 33 24 7 14 34 40 58 57 59 54 46 12 6 16 19 15 15 12 9 8 2 8 28 34 35 38 26 26 25 6 8 23 34 39 46 39 46 43 13 4 12 17 11 10 8 6 5 -1 7 25 30 30 29 24 19 19 7 8 22 28 31 33 37 35 32 13 0 4 13 9 8 8 6 4 -1 2 13 27 27 19 21 22 15 6 3 15 28 35 26 32 37 30 13 1 2 5 4 4 3 2 1 -1 2 7 14 11 8 9 8 5 3 2 7 14 15 13 15 14 13 7 !Region 7: Section 7->9 5 13 14 14 19 28 28 27 9 2 1 6 3 2 6 7 6 3 1 1 4 2 1 1 0 0 0 12 25 31 28 36 50 50 53 18 4 4 9 6 7 12 15 20 5 3 2 4 4 3 3 4 3 0 5 19 26 28 34 41 40 47 16 1 8 6 1 7 8 14 19 4 1 4 1 -1 2 1 3 3 1 4 12 14 22 28 37 43 43 13 -1 2 0 -2 0 9 17 17 9 0 1 -1 -2 -1 1 3 2 3 4 15 15 19 22 35 41 48 12 0 6 2 -2 1 9 15 17 4 0 3 1 -1 1 1 2 -1 0 4 10 17 14 20 28 43 40 14 0 6 7 1 4 11 20 15 7 0 4 4 2 2 3 3 1 1 5 9 15 14 18 27 32 26 9 3 2 5 4 7 12 13 8 4 1 0 1 3 3 3 2 0 2 3 9 12 16 18 21 30 31 13 5 6 4 4 8 5 12 13 7 3 3 2 3 2 0 2 1 2 2 5 5 8 11 11 11 16 9 5 7 4 3 5 5 5 8 7 3 5 3 2 2 2 1 1 2 I/Sigma = 24.64 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 8 Sum = 3764.5; Maximum = 51.7153; FM = 0.369 !Region 8: Section 1->3 0 1 2 0 1 0 0 0 0 1 7 6 2 2 1 0 0 0 14 32 26 10 6 5 1 2 1 1 1 1 1 2 1 1 0 0 3 8 6 4 4 3 2 1 0 24 51 36 18 11 7 3 2 1 0 1 1 1 2 0 1 0 0 1 5 4 3 3 0 2 2 0 14 34 26 13 6 3 3 3 1 0 1 1 1 2 0 0 0 0 2 4 3 3 4 0 1 0 0 11 23 17 10 7 3 2 2 0 0 2 1 0 0 0 0 -1 0 1 5 3 1 2 0 -1 0 0 7 17 13 6 5 2 0 1 0 1 2 2 1 1 -1 0 1 0 1 4 3 1 1 0 0 2 0 5 10 7 3 3 3 1 3 1 1 2 1 1 1 0 0 0 0 2 3 2 2 2 1 0 1 1 3 6 3 3 3 4 2 2 2 0 0 1 1 1 1 0 1 0 0 1 2 2 1 1 0 1 -1 1 3 3 3 1 2 3 2 0 0 1 0 1 0 0 0 0 0 0 1 1 2 0 0 0 0 0 1 2 2 2 1 0 1 1 0 !Region 8: Section 4->6 33 53 49 25 18 11 5 4 1 27 37 45 40 36 19 21 11 2 10 17 30 39 40 26 37 19 3 60100 77 45 29 17 10 6 2 49 74 74 64 56 41 32 19 7 15 30 47 57 66 55 52 38 13 35 71 57 34 17 10 8 5 2 30 55 54 50 41 33 28 15 6 10 22 33 45 53 52 49 34 11 25 50 40 25 17 9 5 4 1 21 41 42 41 37 29 22 14 6 7 18 30 40 46 45 39 29 12 16 35 28 17 13 9 4 2 1 13 29 31 32 31 27 18 11 4 5 12 21 31 41 40 32 24 9 13 22 16 10 9 8 3 5 2 11 20 22 23 25 21 16 11 3 3 10 19 24 33 32 33 23 7 9 14 9 8 6 8 4 5 2 8 15 15 19 19 17 14 11 3 3 9 15 22 29 28 28 21 6 4 7 6 7 4 4 7 5 1 4 9 11 16 16 14 13 9 2 2 7 11 20 24 27 23 16 5 1 2 4 2 2 1 2 2 0 1 2 6 6 6 6 5 4 1 0 1 6 9 9 12 9 7 2 !Region 8: Section 7->9 3 5 11 16 18 16 22 14 3 1 1 1 2 2 4 4 6 2 1 1 0 1 1 2 1 2 1 3 9 18 23 32 30 33 31 12 0 0 2 2 5 9 9 13 6 0 0 0 0 2 4 2 5 2 2 8 13 18 26 29 33 30 11 0 3 3 1 3 6 8 13 5 0 1 1 0 1 2 2 4 1 2 8 13 16 22 25 25 25 11 1 4 3 3 4 2 4 10 5 0 2 2 2 3 0 0 3 1 2 4 8 12 22 23 21 23 10 1 2 3 1 4 3 6 12 6 0 1 2 1 2 0 2 4 2 1 3 7 9 17 20 24 23 9 0 1 1 0 4 4 6 12 7 0 0 2 0 2 1 1 3 3 1 3 6 9 17 20 21 20 7 0 1 1 1 3 5 6 10 5 0 1 1 1 1 1 2 3 2 1 3 4 11 14 19 18 14 5 0 1 0 3 3 5 6 7 3 0 1 0 1 2 2 3 2 1 0 1 3 5 5 9 7 6 2 0 1 0 1 1 3 1 2 1 0 1 0 1 1 1 0 0 0 I/Sigma = 130.50 Thresh = 0.020 Blend = F #Contributing = 39 InitialProfileWt = 0.090 Region 9 Sum = 88607.6; Maximum = 1371.25; FM = 0.524 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 2 4 2 1 1 0 0 0 0 4 9 10 7 4 1 1 0 0 1 2 1 1 0 0 0 0 0 4 11 9 4 2 1 1 0 0 9 25 32 24 12 4 1 1 0 1 3 3 2 0 0 0 0 0 6 18 18 10 3 1 1 0 0 13 39 56 40 19 6 2 1 0 1 5 6 4 1 0 0 0 0 8 25 30 19 7 2 1 0 0 18 55 76 55 30 10 2 1 0 1 5 8 5 2 0 0 0 0 8 26 35 28 12 3 1 0 0 22 62 81 66 40 14 3 1 0 1 4 6 6 2 0 0 0 0 6 21 31 28 13 4 1 0 0 21 52 69 62 39 13 3 1 0 1 3 4 3 1 0 0 0 0 4 14 21 19 10 3 1 0 0 14 37 50 42 25 9 2 1 0 0 1 2 1 1 0 0 0 0 2 7 11 9 5 2 0 0 0 7 19 27 21 11 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 2 5 7 6 2 1 0 0 0 !Region 9: Section 4->6 4 13 19 17 11 3 1 0 0 3 11 17 17 13 5 2 1 0 1 6 9 10 9 7 4 2 1 11 32 54 50 29 11 4 2 1 9 27 44 47 36 22 11 5 1 4 13 23 29 29 22 14 6 2 15 46 81 68 39 14 5 1 1 10 31 52 52 38 20 9 4 1 4 14 23 29 27 20 12 6 2 21 65 99 80 52 21 6 2 0 11 36 57 54 41 23 11 4 1 3 12 21 26 25 20 13 6 2 28 74100 82 60 26 7 2 0 13 37 54 50 41 24 11 4 1 2 9 17 22 22 19 12 6 2 28 62 81 72 52 21 6 2 0 12 28 39 39 32 18 8 3 1 1 5 9 13 15 14 9 4 1 18 44 58 47 31 14 4 1 0 7 18 26 25 19 11 5 2 1 0 2 5 8 9 9 5 3 1 8 22 31 23 13 6 2 1 0 3 8 13 12 9 6 3 1 0 0 1 2 4 5 5 3 2 1 2 5 8 5 3 1 1 0 0 1 2 3 3 2 1 1 0 0 0 0 0 1 1 1 1 1 0 !Region 9: Section 7->9 0 1 2 3 4 5 4 2 1 0 0 0 1 2 3 2 2 1 0 0 0 0 0 1 1 1 0 0 3 7 11 13 12 9 5 2 0 0 1 3 5 5 4 4 2 0 0 0 1 1 1 1 1 0 1 3 7 11 13 11 8 5 2 0 0 1 3 5 5 4 4 2 0 0 0 1 1 1 1 1 0 1 3 6 10 12 11 8 6 2 0 0 1 2 3 4 4 4 2 0 0 0 1 1 1 1 1 1 0 2 4 7 9 10 8 6 2 0 0 1 2 3 3 4 3 2 0 0 0 0 1 1 1 1 1 0 1 2 4 7 8 6 4 2 0 0 0 1 2 2 2 2 1 0 0 0 0 0 1 1 1 0 0 1 1 2 4 5 4 3 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 2 2 2 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 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 (206 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) 206 0 206 5.8850 0.8667 15.054 125.630 Orientation ('UB') matrix: 0.1440767 0.0357278 -0.0039539 0.0295657 -0.0024856 0.0770295 0.0658587 -0.0770446 -0.0043186 A B C Alpha Beta Gamma Vol 6.2463 11.7700 13.0301 90.000 96.565 90.000 951.68 0.0006 0.0014 0.0008 0.000 0.003 0.000 0.22 Corrected for goodness of fit: 0.0027 0.0067 0.0040 0.000 0.016 0.000 1.10 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.931 95.930 24.260 Goniometer zeros (deg): 0.0000* -0.0253 0.0000* 0.0017 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8049 -0.5631 0.0610 -0.3809 -0.0935 0.8759 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.65488e+04 1.40999e+04 4.92 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 206 206 186 Average input ESD (pix, pix, deg): 0.19157 0.15429 0.26855 Goodness of fit: 3.53326 6.52329 3.85365 Average missing volume: 0.042 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:18 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 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 97.15% 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 17 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 19 0.78 0.78 2.27 1.000 2_0003 6 -0.04 -0.30 -0.03 0.21 0.39 0.17 47229 88 0 0.46 23 0.78 0.78 2.27 1.000 3_0004 6 -0.01 -0.58 0.04 0.34 0.65 0.25 7625.9 29 0 0.59 27 0.78 0.78 2.27 1.000 4_0005 14 -0.03 -0.38 0.08 0.22 0.47 0.19 47024 80 0 0.58 26 0.78 0.78 2.27 1.000 5_0006 9 0.05 -0.38 -0.03 0.12 0.46 0.17 68707 96 0 0.76 27 0.78 0.78 2.27 1.000 6_0007 6 0.06 -0.45 -0.18 0.15 0.51 0.35 30799 65 0 0.60 26 0.78 0.78 2.27 1.000 7_0008 11 0.26 -0.55 -0.16 0.57 0.85 0.24 14628 42 0 0.70 29 0.78 0.78 2.27 1.000 8_0009 13 -0.05 -0.38 0.04 0.19 0.45 0.29 25929 55 8 0.63 25 0.78 0.78 2.27 1.000 9_0010 8 0.03 -0.19 -0.03 0.19 0.31 0.17 66984 85 0 0.73 25 0.78 0.78 2.27 1.000 10_0011 7 -0.00 -0.34 -0.01 0.11 0.39 0.18 15995 41 0 0.59 30 0.78 0.78 2.27 1.000 11_0012 9 -0.06 -0.23 0.13 0.17 0.34 0.44 23858 60 0 0.60 26 0.78 0.78 2.27 1.000 12_0013 12 0.03 -0.28 0.08 0.09 0.37 0.19 41881 75 0 0.63 28 0.78 0.78 2.27 1.000 13_0014 11 -0.01 -0.28 -0.14 0.07 0.32 0.31 22526 48 0 0.69 28 0.78 0.78 2.27 1.000 14_0015 9 0.09 -0.44 -0.04 0.44 0.53 0.29 10331 34 0 0.71 27 0.78 0.78 2.27 1.000 15_0016 11 -0.01 -0.24 -0.05 0.23 0.43 0.25 30430 58 0 0.65 25 0.78 0.78 2.27 1.000 16_0017 14 -0.04 -0.26 -0.05 0.24 0.38 0.17 37123 71 0 0.63 26 0.78 0.78 2.27 1.000 17_0018 5 -0.01 -0.39 -0.03 0.13 0.48 0.14 8027.0 34 0 0.79 25 0.78 0.78 2.27 1.000 18_0019 8 -0.11 -0.26 -0.04 0.21 0.29 0.18 9410.3 36 0 0.63 25 0.78 0.78 2.27 1.000 19_0020 9 0.08 -0.21 0.02 0.14 0.32 0.13 75966 97 0 0.67 27 0.78 0.78 2.27 1.000 Background pixels updated = 96.97% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.06 -0.32 0.01 0.17 0.42 0.17 14069 47 0 0.72 26 0.78 0.78 2.27 1.000 21_0022 11 0.13 -0.33 -0.08 0.48 0.60 0.35 21128 54 9 0.69 27 0.78 0.78 2.27 1.000 22_0023 7 0.09 -0.16 -0.05 0.14 0.36 0.09 62369 100 0 0.73 28 0.78 0.78 2.27 1.000 23_0024 10 0.00 -0.18 -0.04 0.21 0.27 0.25 39203 60 0 0.69 25 0.78 0.78 2.27 1.000 24_0025 11 0.16 -0.14 -0.06 0.52 0.25 0.90 35390 59 0 0.67 25 0.78 0.78 2.27 1.000 25_0026 6 0.29 -0.55 -0.12 0.68 0.89 0.22 14033 40 0 0.66 27 0.78 0.78 2.27 1.000 I/Sigma = 45.41 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.069 Region 1 Sum = 12150.2; Maximum = 146.824; FM = 0.434 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 2 2 1 1 1 0 0 4 14 12 10 7 4 3 2 0 0 1 1 1 1 0 0 0 0 4 7 7 5 4 2 1 1 0 19 41 41 35 24 13 7 4 1 0 1 1 1 1 1 0 0 0 3 6 5 4 3 2 1 1 0 14 32 32 26 18 10 6 3 1 0 1 0 0 1 0 0 0 0 2 4 4 3 3 1 0 1 0 13 26 24 19 14 8 4 3 1 0 1 0 0 0 0 0 0 0 1 3 2 2 2 1 1 1 0 6 17 16 13 11 7 4 2 1 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 0 3 9 10 9 7 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 2 6 7 7 5 3 2 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 4 5 5 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 1 1 1 0 !Region 1: Section 4->6 8 26 26 27 25 16 11 10 3 6 23 31 37 43 37 23 29 10 2 10 18 23 31 35 25 34 14 31 77 91 86 68 47 31 16 5 20 57 83 94 92 90 77 55 20 5 18 32 47 67 92100 90 38 23 59 69 66 53 38 27 16 5 14 45 65 80 82 77 65 48 17 4 15 27 44 60 73 77 70 28 22 49 51 48 37 25 17 10 3 13 35 46 56 54 55 48 36 13 3 11 19 32 45 63 68 62 25 11 32 37 37 34 24 16 10 3 7 25 35 45 49 49 43 35 13 2 9 14 23 34 50 58 56 22 6 16 21 23 19 15 11 7 2 4 12 19 25 28 32 29 23 8 1 4 8 13 21 32 36 36 15 4 11 16 17 14 11 8 6 2 3 9 14 18 22 22 20 17 7 1 3 6 10 16 23 27 28 13 2 7 10 13 13 11 8 5 1 2 6 9 14 18 19 18 15 5 1 2 5 8 11 16 21 22 10 1 3 4 3 4 3 3 2 1 1 2 3 4 5 6 7 6 3 0 1 2 2 4 7 9 8 6 !Region 1: Section 7->9 0 2 3 5 9 14 14 18 7 0 0 1 1 1 2 3 4 1 0 0 0 0 0 0 0 0 0 1 3 5 11 24 42 56 58 26 0 1 1 1 2 5 9 10 4 0 0 1 0 0 0 0 0 0 1 3 5 10 19 31 41 43 18 0 1 1 2 2 5 8 9 3 0 0 0 0 0 1 1 0 0 1 3 4 9 18 30 39 41 18 1 1 1 2 2 4 7 9 3 0 0 0 0 0 0 1 0 0 1 2 3 5 12 23 33 37 16 0 1 0 1 2 3 6 8 3 0 0 0 0 1 0 0 1 0 1 1 2 3 7 13 20 24 11 0 0 0 1 1 2 4 6 3 0 0 0 0 1 0 1 1 1 0 1 2 3 6 10 16 19 10 0 0 1 1 1 2 3 5 3 0 0 0 0 0 0 1 1 1 0 1 2 3 4 7 11 15 7 0 0 0 1 1 2 2 4 2 0 0 0 0 0 1 0 1 1 0 1 1 1 2 3 5 5 4 0 0 0 0 1 0 1 2 1 0 0 0 0 0 0 0 1 1 I/Sigma = 230.57 Thresh = 0.020 Blend = F #Contributing = 60 InitialProfileWt = 0.053 Region 2 Sum = 269904; Maximum = 3983.46; FM = 0.919 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 1 4 9 16 14 5 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 8 7 3 1 0 0 1 5 17 36 32 14 3 1 0 0 0 0 0 0 0 0 0 0 0 2 7 11 10 6 1 0 0 2 9 28 53 53 32 8 1 0 0 0 0 0 0 0 0 0 0 0 3 6 11 11 8 3 0 0 2 12 32 56 61 46 16 2 0 0 0 0 0 0 0 0 0 0 0 3 6 9 9 7 3 0 0 2 13 33 51 54 42 17 2 0 0 0 0 0 0 0 0 0 0 0 2 5 7 6 4 2 0 0 1 11 28 42 38 25 9 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 1 4 15 27 20 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 !Region 2: Section 4->6 0 1 2 4 4 3 1 1 0 0 1 2 4 6 6 4 2 0 0 0 1 2 4 5 4 2 1 1 5 11 22 23 12 4 1 0 0 2 7 17 27 20 9 3 1 0 1 3 9 19 18 9 3 1 1 6 21 49 52 28 9 2 1 1 3 14 37 51 37 18 6 1 0 1 6 23 39 33 17 6 1 2 11 38 79 88 58 18 4 1 1 7 26 62 77 57 26 9 2 0 3 14 43 58 45 23 9 2 3 17 50 88100 80 31 5 1 2 12 40 74 84 69 36 10 2 1 6 28 61 65 51 30 11 2 2 20 52 81 90 73 31 5 1 1 14 42 70 78 64 35 10 1 1 10 36 61 62 48 29 10 2 2 16 44 68 66 45 17 3 1 1 11 34 57 59 43 21 6 1 1 10 31 49 47 35 21 8 1 1 6 23 43 37 18 5 1 0 0 4 17 36 35 21 10 3 1 0 5 15 30 30 23 13 5 1 0 1 3 8 8 4 1 0 0 0 1 3 7 10 7 3 1 0 0 1 3 7 11 10 5 2 0 !Region 2: Section 7->9 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 7 4 2 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 9 18 15 8 4 1 0 0 0 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 5 22 31 24 12 5 1 0 0 1 5 8 7 4 2 1 0 0 0 0 1 1 1 0 0 0 2 14 35 37 27 15 6 1 0 1 3 9 10 8 4 2 1 0 0 0 0 1 1 1 0 0 0 6 23 38 35 25 15 6 1 0 1 6 10 9 7 4 2 1 0 0 0 1 1 1 1 0 0 0 7 22 30 27 21 13 5 1 0 2 6 8 8 6 4 2 1 0 0 0 1 1 1 0 0 0 0 3 11 17 17 15 9 4 1 0 1 3 5 5 5 3 2 0 0 0 0 1 1 1 0 0 0 0 1 2 5 8 7 4 2 1 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 155.29 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.079 Region 3 Sum = 126971; Maximum = 2157.52; FM = 0.863 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 6 7 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 6 10 10 8 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 4 7 11 13 9 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 5 9 13 13 8 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 9 13 10 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 6 9 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 3 1 1 0 0 0 !Region 3: Section 4->6 0 2 3 5 6 4 2 0 0 0 1 3 5 6 6 3 1 0 0 0 1 2 3 4 3 2 0 1 3 7 14 15 10 4 1 0 0 2 7 16 19 15 8 3 1 0 1 2 7 10 11 8 4 1 1 4 14 30 32 20 8 2 0 1 4 16 40 44 30 13 4 1 0 2 6 19 26 21 13 7 2 1 9 26 49 52 36 13 3 0 1 10 33 70 77 55 21 6 1 0 4 15 39 53 40 21 10 2 2 16 36 57 65 46 17 3 0 2 20 51 87100 73 29 6 1 1 9 28 59 76 58 27 11 3 3 22 43 63 63 43 16 3 1 4 32 64 95100 73 30 7 1 2 18 41 67 80 63 30 11 2 3 18 39 61 50 29 11 2 0 4 29 61 90 82 54 23 6 1 3 21 46 64 67 51 26 10 2 2 10 24 42 33 15 6 2 0 2 16 40 66 56 31 13 4 1 2 15 36 51 48 32 18 8 2 0 3 8 13 9 5 2 1 0 0 4 13 23 18 11 4 2 0 0 3 12 19 18 12 5 3 1 !Region 3: Section 7->9 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 4 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 8 8 7 6 2 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 12 23 18 13 9 2 0 0 1 2 5 4 4 3 1 0 0 0 0 0 0 0 0 0 0 2 8 23 36 28 17 9 3 0 0 1 5 9 7 5 3 1 0 0 0 0 0 0 0 0 0 1 5 13 29 38 31 18 9 2 0 0 2 6 8 7 5 3 1 0 0 0 0 0 0 0 0 0 1 7 18 27 30 24 16 8 2 0 1 3 6 6 4 4 3 1 0 0 0 0 0 0 0 0 0 1 7 17 22 22 17 12 7 2 0 2 4 5 4 3 3 2 1 0 0 0 0 0 0 0 0 0 0 2 6 8 9 6 4 2 1 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 40.74 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 4 Sum = 7502.56; Maximum = 112.426; FM = 0.515 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 2 3 1 2 2 2 1 0 0 0 -1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 2 2 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 2 3 2 2 1 0 0 0 -1 0 0 0 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 2 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 2 1 0 1 0 0 0 0 1 2 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 2 2 1 2 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 2 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 2 1 1 0 0 !Region 4: Section 4->6 0 3 18 19 25 12 7 5 1 0 6 32 41 54 33 21 17 4 0 4 17 28 35 29 22 21 6 2 17 36 46 44 31 18 11 2 3 32 64 91100 82 57 40 12 2 16 33 55 71 73 62 52 17 3 18 30 40 39 28 19 13 3 5 31 54 80 88 78 65 51 15 2 14 26 48 65 73 72 67 22 2 11 23 34 33 23 20 14 3 3 19 41 64 75 68 66 53 15 2 9 21 37 55 66 72 68 23 1 7 14 23 22 19 18 14 3 2 12 24 42 52 57 59 48 14 1 6 13 25 40 56 64 63 21 1 4 9 14 17 15 14 10 3 1 6 15 27 39 44 45 37 12 1 3 8 16 29 42 50 54 19 0 2 7 10 15 11 8 8 3 1 3 11 19 30 32 29 30 12 0 2 7 12 21 30 35 41 17 0 2 5 7 12 11 8 6 1 0 3 8 12 21 25 24 23 8 0 2 5 7 14 21 25 30 12 0 1 2 2 6 4 3 1 0 0 1 3 4 11 9 11 5 1 0 1 2 3 7 9 12 7 2 !Region 4: Section 7->9 0 1 2 5 6 9 9 11 3 0 0 1 0 1 1 2 3 1 0 0 0 0 0 1 1 0 0 1 2 4 9 16 21 25 31 10 0 1 1 1 2 2 4 9 2 0 1 1 1 1 1 1 1 0 1 1 3 8 16 23 29 41 13 0 1 1 2 2 2 4 11 3 0 1 1 1 0 0 0 0 0 1 1 3 7 14 22 29 41 14 0 1 2 3 2 3 4 12 4 0 0 1 2 1 1 0 1 0 1 1 2 6 11 19 27 41 13 0 0 1 3 3 3 5 12 3 0 0 0 1 1 1 1 1 0 1 1 2 5 8 15 22 38 13 0 0 1 2 3 3 5 12 3 0 0 0 1 2 2 1 0 0 0 0 3 4 5 11 15 28 10 0 0 1 3 1 2 3 8 2 0 0 0 1 0 1 1 0 0 0 0 2 2 3 7 10 16 6 0 0 1 0 0 2 1 3 1 0 0 0 0 0 1 0 -1 0 0 1 1 1 2 3 4 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.40 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 5 Sum = 5058.13; Maximum = 86.8701; FM = 0.398 !Region 5: Section 1->3 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 0 0 0 1 2 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 3 4 5 5 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 3 3 4 3 3 2 2 0 0 0 0 0 -1 1 0 1 0 0 1 0 0 -1 1 0 1 0 0 2 3 2 3 3 2 2 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 0 0 0 1 2 1 2 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 1 1 1 0 0 2 2 3 1 3 1 3 1 0 0 0 1 0 1 1 0 0 0 -1 -1 1 0 1 1 0 0 0 1 1 2 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 2 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 -1 0 0 0 1 1 0 0 0 0 1 0 0 1 1 0 0 !Region 5: Section 4->6 2 15 20 32 22 21 11 10 1 3 23 35 59 45 44 26 22 2 1 9 17 32 30 31 27 27 4 4 27 46 53 48 37 31 19 4 5 43 80100 93 77 65 42 9 2 18 40 55 56 54 59 59 12 5 27 34 39 38 31 26 18 4 7 44 61 72 74 64 55 40 9 3 19 30 39 45 48 52 55 11 2 15 24 27 27 24 20 16 3 3 24 40 50 54 48 40 34 7 1 11 19 27 33 36 39 42 9 1 8 16 18 21 18 14 11 2 1 12 26 32 40 34 30 26 4 1 5 11 16 23 24 28 33 7 1 6 13 15 14 13 11 11 2 1 9 19 24 26 25 24 20 4 0 4 8 12 14 16 22 22 5 0 4 8 12 10 10 10 8 2 1 6 13 20 19 19 20 15 5 0 3 5 10 10 13 15 13 4 0 3 4 9 11 9 7 5 1 0 4 7 14 19 15 15 9 2 0 3 4 7 10 8 10 5 1 0 1 2 3 5 4 3 1 0 0 2 3 6 8 6 7 2 0 0 2 1 3 4 4 5 1 0 !Region 5: Section 7->9 0 0 3 4 9 12 23 30 7 0 0 1 0 4 4 9 14 4 0 0 0 0 1 0 0 1 0 0 1 6 8 13 23 43 67 15 0 0 1 2 4 8 16 31 7 0 0 0 0 1 1 0 2 1 0 2 4 8 11 21 39 60 13 0 1 2 4 3 7 15 27 6 0 0 1 1 0 1 1 1 0 0 3 3 6 7 16 29 42 9 0 2 2 3 1 6 11 19 4 0 0 1 0 0 1 0 1 0 1 1 0 2 3 9 18 30 7 1 1 0 0 1 4 6 13 3 0 1 0 0 0 1 0 1 0 0 1 -1 2 2 6 13 19 4 0 0 0 1 1 3 4 7 2 0 0 0 0 1 1 0 0 0 0 0 1 1 2 4 6 9 3 0 0 1 1 0 1 2 4 1 0 0 1 0 0 0 1 1 0 0 2 1 2 3 2 4 4 1 0 1 1 2 2 1 2 2 0 0 0 1 1 2 0 0 0 0 0 1 0 1 1 1 2 1 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.0294; Maximum = 0.0148204; FM = 0.396 !Region 6: Section 1->3 0 0 0 1 0 0 0 0 0 1 3 3 3 2 1 1 0 0 3 15 14 14 10 6 2 0 0 0 1 1 1 0 1 0 1 0 1 5 4 4 3 2 1 1 0 7 28 26 23 17 11 6 4 1 0 1 1 1 0 0 0 0 0 1 3 4 4 2 1 0 1 1 5 18 19 17 12 8 5 4 1 0 1 1 0 0 0 1 1 0 1 3 3 2 1 2 1 2 1 3 11 13 12 9 7 5 4 1 0 1 0 0 0 1 1 0 0 0 2 2 1 1 3 2 0 0 2 7 8 7 6 6 4 2 1 0 0 0 0 0 1 1 0 0 0 2 2 2 1 2 2 1 0 1 6 7 7 4 5 3 3 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 4 5 6 5 4 4 2 1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 2 3 4 4 3 2 2 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 2 2 2 2 1 1 0 !Region 6: Section 4->6 6 34 38 41 32 27 12 7 1 6 32 46 58 49 48 26 16 2 2 11 22 32 31 36 28 21 4 13 62 73 74 62 45 33 18 3 10 58 85100 93 81 69 40 8 4 21 38 52 59 65 70 57 13 10 46 54 52 45 34 27 19 4 9 49 65 71 71 63 57 42 9 3 20 30 37 45 52 58 56 13 6 29 37 37 32 25 20 14 3 5 31 45 49 49 46 40 33 7 2 14 20 26 31 38 42 43 10 4 18 23 23 24 20 15 11 2 3 19 28 31 38 35 33 27 5 1 8 12 16 23 27 35 36 8 2 13 18 19 17 15 12 9 2 2 14 21 25 27 26 25 20 5 1 6 9 14 17 21 27 26 7 1 9 14 16 15 12 10 8 2 1 10 16 20 22 22 21 16 5 1 6 7 11 14 19 20 19 6 1 5 9 12 12 9 7 5 1 1 6 11 15 20 17 16 11 2 0 3 6 8 13 14 16 14 3 0 1 4 5 5 5 3 2 0 0 2 4 6 9 8 7 4 1 0 1 2 3 6 6 7 6 1 !Region 6: Section 7->9 0 1 4 6 9 13 20 21 4 0 0 1 1 3 3 6 8 2 0 0 0 0 1 0 0 1 0 1 3 6 11 17 28 43 52 13 0 0 1 3 5 8 13 20 5 0 0 0 0 1 1 1 1 0 1 3 5 9 13 22 36 47 11 0 1 2 3 3 5 12 17 4 0 0 1 1 0 0 1 1 0 1 4 4 6 9 16 26 34 8 0 2 2 2 2 4 7 12 3 0 1 1 0 0 1 0 1 0 1 3 1 3 5 11 19 27 7 0 2 0 1 1 3 5 10 2 0 1 0 0 0 1 0 1 0 0 2 1 3 4 8 15 20 5 0 2 0 0 1 3 4 7 2 0 1 0 0 1 1 1 1 0 0 2 1 2 3 6 10 13 4 0 0 1 0 0 1 3 4 1 0 0 0 0 0 0 1 0 0 0 2 3 2 4 4 8 9 2 0 1 1 1 1 1 3 3 1 0 0 1 0 1 0 1 0 0 0 1 1 1 1 2 3 5 1 0 0 0 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 21.54 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 7 Sum = 2503.28; Maximum = 32.9014; FM = 0.341 !Region 7: Section 1->3 0 1 1 1 1 1 0 0 0 1 6 6 6 5 4 1 0 0 6 32 29 27 19 13 4 0 0 0 2 3 2 0 1 0 2 0 2 11 10 9 6 4 3 3 0 12 55 48 41 31 19 12 6 1 0 2 2 2 0 0 0 1 0 2 7 8 8 3 2 1 3 1 8 34 34 29 21 13 9 8 2 0 2 2 1 0 0 1 0 0 1 5 6 5 2 2 2 3 1 4 18 23 21 14 11 8 7 2 0 1 1 0 1 2 1 -1 0 0 3 4 3 3 5 3 1 1 2 11 14 13 9 10 7 4 1 0 1 0 0 1 1 2 0 0 0 4 4 3 2 4 3 2 0 2 10 12 11 7 9 5 4 1 0 1 0 0 0 0 0 0 0 0 3 2 2 3 2 2 2 0 0 7 9 11 10 7 6 4 1 0 0 0 -1 1 1 0 1 0 0 1 2 1 3 3 1 1 0 0 3 7 7 7 5 3 3 1 0 0 0 0 1 1 0 0 0 0 0 2 1 2 2 1 1 0 0 0 4 5 4 3 1 1 1 !Region 7: Section 4->6 11 59 63 55 45 36 13 1 0 8 44 61 58 51 54 25 3 0 2 13 28 33 31 40 29 8 0 19 99100 94 75 52 35 15 1 14 75 88 95 89 78 67 31 3 5 26 35 47 55 67 71 42 6 13 66 73 64 51 36 27 20 3 10 55 67 62 59 55 53 40 7 4 22 27 28 37 47 55 49 10 7 39 48 44 35 26 20 13 2 5 36 47 44 39 36 35 29 5 3 17 21 20 22 30 37 37 7 5 26 28 25 23 20 15 10 1 4 27 27 25 29 29 31 24 4 1 12 13 13 19 24 34 32 6 3 20 23 21 19 16 11 7 1 3 20 23 24 28 26 24 19 4 1 9 11 17 19 22 29 27 6 1 14 20 21 19 14 10 7 2 2 16 21 21 24 24 19 15 4 1 9 9 12 17 24 24 22 6 1 7 15 15 13 9 6 5 1 1 9 17 16 20 19 15 14 2 0 5 9 9 16 19 21 21 4 0 1 6 8 7 7 4 4 1 0 1 5 6 10 11 8 8 1 0 1 2 3 7 9 9 12 2 !Region 7: Section 7->9 1 2 5 9 10 13 16 8 0 0 0 1 2 2 2 4 3 0 0 0 0 1 0 0 0 0 0 2 4 7 14 19 30 38 28 6 0 -2 1 4 5 8 11 8 2 0 -1 0 1 1 2 2 1 0 1 5 6 8 13 19 28 28 6 0 1 2 2 3 3 8 6 1 0 0 1 0 1 0 1 0 0 1 7 5 5 9 12 17 20 4 0 3 2 2 4 2 3 4 0 0 1 1 1 1 0 0 0 0 0 4 3 3 4 9 15 19 3 0 4 1 1 1 2 3 6 0 0 1 1 1 0 1 1 1 0 0 4 2 5 5 8 16 18 4 0 4 0 -1 1 3 5 5 1 0 2 0 -1 1 1 1 1 0 0 3 2 3 4 7 13 15 4 0 1 0 -1 -1 -1 3 3 1 0 0 0 -1 -1 -1 0 0 0 0 2 4 2 5 6 13 15 3 0 1 2 0 0 0 5 5 0 0 0 1 0 0 0 1 1 0 0 1 1 1 2 3 5 9 2 0 0 1 1 1 1 1 3 0 0 0 0 0 0 1 0 0 0 I/Sigma = 43.29 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 8 Sum = 9876.3; Maximum = 139.109; FM = 0.364 !Region 8: Section 1->3 0 1 1 0 0 0 0 0 0 7 12 8 6 3 1 1 0 0 20 45 31 25 11 7 3 1 0 1 2 1 1 1 1 0 0 0 9 21 16 9 5 3 2 1 0 28 76 63 38 22 12 6 4 1 1 1 1 1 2 1 0 0 0 7 17 14 7 5 2 1 1 0 24 63 53 32 18 10 5 3 1 1 1 1 1 1 1 0 0 0 6 13 10 6 3 2 1 1 0 19 48 39 24 13 8 5 2 1 1 0 1 1 0 1 1 1 0 3 7 6 5 2 1 1 2 0 11 29 25 17 9 5 4 2 1 0 0 0 1 0 0 0 1 1 2 4 3 4 1 1 1 1 1 5 15 14 11 6 3 3 2 1 0 1 0 0 0 0 1 0 0 1 3 2 2 1 1 1 1 0 2 8 9 7 5 3 2 1 0 0 1 1 1 1 0 0 0 0 0 2 3 2 2 1 1 1 0 1 4 6 5 4 2 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 2 1 2 1 0 !Region 8: Section 4->6 20 60 51 42 26 21 14 4 0 9 41 49 45 39 38 35 13 2 3 16 27 27 28 30 31 16 3 30100 96 72 51 37 21 12 2 15 63 85 83 74 68 47 33 6 5 23 45 51 54 55 46 36 8 26 81 82 61 41 28 17 11 3 13 49 67 66 58 51 38 28 7 4 17 31 37 40 43 38 32 9 22 63 59 44 31 23 15 8 2 11 38 46 45 43 42 32 23 6 4 13 20 25 30 34 33 29 8 14 41 39 31 22 16 10 7 1 8 26 31 32 32 33 24 20 5 3 8 13 18 23 29 25 24 7 8 23 24 22 15 12 7 6 1 5 16 20 24 23 26 18 16 4 2 6 10 15 18 24 21 20 6 4 13 16 15 12 9 6 4 1 4 10 15 19 21 22 16 13 3 2 4 8 12 18 21 18 16 4 1 6 10 10 10 8 6 4 1 1 5 11 14 17 17 14 10 2 1 3 6 9 14 18 16 14 4 0 1 4 4 4 4 3 2 0 0 1 5 7 8 10 5 5 1 0 1 3 5 6 9 6 6 2 !Region 8: Section 7->9 0 2 5 6 6 8 9 6 2 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 4 9 11 14 16 16 14 4 0 1 1 2 2 2 2 2 1 0 0 1 1 1 1 1 0 0 1 3 6 8 11 13 15 15 5 0 1 1 2 2 1 2 3 1 0 0 0 1 1 0 1 1 0 1 2 4 6 8 10 13 14 4 0 0 1 1 2 1 3 4 1 0 0 0 0 0 0 1 1 0 1 1 2 4 6 9 11 12 4 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 1 1 1 1 1 3 5 6 7 9 11 4 0 1 1 2 2 1 2 3 1 0 1 0 1 1 0 1 1 0 1 1 3 4 5 7 8 8 2 0 1 2 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 0 2 2 2 4 6 7 8 3 0 1 1 1 1 2 2 3 1 0 0 0 1 1 1 1 1 1 0 1 1 1 2 3 3 4 2 0 0 0 1 0 0 1 1 1 0 0 0 1 0 0 1 1 0 I/Sigma = 126.51 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.118 Region 9 Sum = 70955; Maximum = 949.654; FM = 0.783 !Region 9: Section 1->3 0 1 0 0 0 0 0 0 0 1 3 2 1 1 0 0 0 0 2 6 7 7 4 2 1 1 0 1 1 1 0 0 0 0 0 0 3 7 6 4 2 1 1 0 0 5 15 20 20 15 7 3 1 0 1 2 1 1 0 0 0 0 0 3 9 9 6 3 1 1 0 0 6 21 30 31 24 11 4 1 0 1 2 2 2 1 0 0 0 0 4 12 14 11 6 2 1 1 0 7 26 40 46 36 17 6 2 0 1 3 3 3 2 1 0 0 0 4 14 18 17 12 5 1 1 0 9 32 50 57 47 25 9 2 0 1 3 3 3 2 1 0 0 0 4 15 18 18 15 8 2 1 0 9 33 50 56 49 30 12 3 0 1 2 2 2 2 1 0 0 0 3 12 14 15 14 8 3 0 0 8 27 40 45 41 26 12 2 0 0 1 1 1 1 1 0 0 0 2 7 8 9 9 5 2 0 0 5 18 25 28 26 16 7 1 0 0 0 0 0 0 0 0 0 0 1 3 3 3 2 2 1 0 0 1 7 9 9 8 4 1 0 0 !Region 9: Section 4->6 2 7 12 18 12 6 3 2 0 1 5 9 19 18 11 7 4 1 0 2 4 9 13 10 8 5 1 5 18 34 46 43 24 10 4 1 3 12 28 45 49 32 17 8 2 1 4 11 21 26 24 17 11 2 6 25 49 65 62 33 14 4 1 4 18 40 61 64 42 22 9 2 1 6 16 27 32 30 22 13 3 8 32 63 87 83 45 18 5 1 5 22 49 74 77 50 26 10 2 1 7 17 29 35 32 23 14 3 11 40 76100 94 59 25 7 1 6 26 56 79 81 57 30 11 2 1 6 17 28 33 31 24 15 3 12 41 75 94 87 61 29 7 1 7 24 53 71 70 53 30 11 2 1 4 14 23 26 25 21 14 3 11 34 60 72 69 47 23 6 1 6 19 39 51 53 39 22 9 2 1 3 8 14 18 18 15 10 2 7 22 38 45 43 28 12 3 1 4 12 23 30 32 23 13 5 1 0 1 4 7 10 11 9 7 2 1 8 13 14 13 7 2 1 0 0 4 8 9 10 6 4 2 0 0 1 1 2 3 3 4 2 1 !Region 9: Section 7->9 0 0 1 2 4 5 5 4 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 6 10 12 12 10 3 0 0 0 1 3 4 5 5 2 0 0 0 0 0 1 1 1 0 0 1 3 8 12 16 16 12 3 0 0 1 2 4 6 7 6 2 0 0 0 0 1 1 1 2 1 0 1 4 9 14 17 16 13 3 0 0 1 2 4 6 7 7 2 0 0 0 0 1 1 2 2 1 0 1 4 8 12 16 16 14 4 0 0 1 2 4 6 7 7 2 0 0 0 0 1 1 1 2 1 0 1 3 6 9 12 14 12 3 0 0 0 1 3 4 6 6 2 0 0 0 0 0 1 1 1 1 0 1 1 3 6 9 10 9 2 0 0 0 1 1 3 4 4 2 0 0 0 0 0 1 1 1 0 0 0 1 1 3 5 6 6 2 0 0 0 0 1 2 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 2 2 0 0 0 0 0 0 0 1 1 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 (205 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) 205 0 205 5.3560 0.8603 16.551 127.294 Orientation ('UB') matrix: 0.1442187 0.0356955 -0.0037351 0.0291621 -0.0024487 0.0770374 0.0658513 -0.0770912 -0.0041765 A B C Alpha Beta Gamma Vol 6.2449 11.7662 13.0331 90.000 96.608 90.000 951.29 0.0005 0.0012 0.0006 0.000 0.002 0.000 0.18 Corrected for goodness of fit: 0.0018 0.0046 0.0021 0.000 0.009 0.000 0.69 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.808 95.840 24.245 Goniometer zeros (deg): 0.0000* -0.0183 0.0000* 0.0182 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7794 -0.6555 0.0616 -0.3343 -0.1210 0.8835 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.56757e+04 8.23227e+03 3.80 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 205 205 176 Average input ESD (pix, pix, deg): 0.15917 0.13026 0.05080 Goodness of fit: 3.16476 4.84684 2.78307 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:19 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 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 96.95% 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 17 0.00 0.00 3.86 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 3.86 1.000 2_0003 4 0.01 -0.09 -0.04 0.05 0.16 0.14 73484 131 0 0.63 23 2.98 2.69 3.86 1.000 3_0004 7 -0.13 -0.44 0.14 0.29 0.46 0.38 10215 32 0 0.45 25 3.15 2.92 3.63 1.000 4_0005 15 -0.00 -0.22 0.06 0.18 0.30 0.19 47965 83 0 0.71 25 2.91 3.02 3.43 1.000 5_0006 8 0.05 -0.09 -0.01 0.13 0.17 0.05 68573 96 0 0.79 30 2.82 3.07 3.21 1.000 6_0007 8 0.08 -0.11 -0.02 0.19 0.26 0.21 40088 80 0 0.71 28 2.79 3.16 3.30 1.000 7_0008 10 0.17 -0.31 -0.05 0.41 0.52 0.12 14054 41 0 0.73 27 2.76 3.17 3.14 1.000 8_0009 13 -0.02 -0.22 0.01 0.16 0.29 0.36 27772 60 8 0.72 26 2.78 3.17 3.07 1.000 9_0010 9 0.05 -0.13 0.01 0.16 0.22 0.17 67589 91 0 0.77 25 2.75 3.12 3.20 1.000 10_0011 6 0.04 -0.11 -0.03 0.16 0.18 0.08 11526 37 0 0.63 28 2.73 3.10 3.13 1.000 11_0012 9 -0.06 -0.10 -0.10 0.17 0.20 0.34 24350 64 0 0.66 27 2.75 3.10 3.10 1.000 12_0013 10 0.04 -0.18 0.02 0.08 0.23 0.11 20894 54 0 0.65 27 2.73 3.09 3.21 1.000 13_0014 14 0.18 -0.22 -0.06 0.54 0.54 0.22 41058 69 0 0.75 29 2.73 3.14 3.20 1.000 14_0015 10 0.10 -0.23 -0.04 0.31 0.32 0.24 11823 39 0 0.76 26 2.71 3.16 3.28 1.000 15_0016 10 0.09 -0.03 -0.11 0.14 0.14 0.24 33001 61 0 0.65 25 2.70 3.13 3.24 1.000 16_0017 13 -0.02 -0.15 -0.05 0.18 0.27 0.20 40952 77 0 0.69 25 2.72 3.10 3.19 1.000 17_0018 7 -0.02 -0.17 -0.11 0.13 0.21 0.24 10841 40 0 0.75 26 2.73 3.09 3.18 1.000 18_0019 6 -0.10 -0.13 0.04 0.16 0.17 0.21 10268 41 0 0.61 24 2.73 3.07 3.17 1.000 19_0020 10 0.06 -0.13 -0.00 0.09 0.21 0.09 69936 91 0 0.69 27 2.73 3.08 3.15 1.000 Background pixels updated = 96.88% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.05 -0.14 -0.01 0.14 0.21 0.12 14579 48 0 0.74 27 2.72 3.09 3.19 1.000 21_0022 11 0.00 -0.10 -0.02 0.34 0.30 0.20 22475 57 9 0.73 27 2.74 3.12 3.19 1.000 22_0023 7 0.09 -0.02 0.00 0.12 0.17 0.06 63039 101 0 0.75 28 2.76 3.13 3.19 1.000 23_0024 10 0.01 -0.10 0.13 0.12 0.17 0.53 40418 62 0 0.70 25 2.75 3.12 3.21 1.000 24_0025 11 0.13 -0.06 0.26 0.43 0.16 0.77 35703 60 9 0.69 26 2.75 3.11 3.20 1.000 I/Sigma = 54.19 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.069 Region 1 Sum = 16461; Maximum = 143.101; FM = 0.628 !Region 1: Section 1->3 0 1 0 1 0 0 0 0 0 2 4 3 2 1 1 0 1 1 11 21 17 11 7 5 3 2 1 0 1 1 1 1 1 1 0 0 3 6 5 4 3 2 2 1 0 19 38 39 33 22 13 8 4 1 0 1 1 1 1 0 1 0 0 3 7 6 5 3 2 1 1 0 23 46 48 38 25 14 7 4 1 0 1 1 1 1 0 0 0 0 4 7 6 4 3 2 1 1 1 25 49 47 36 23 14 8 4 2 0 0 1 1 1 1 0 0 0 2 4 4 3 3 2 1 1 0 16 34 35 29 20 13 8 4 1 0 1 1 1 1 1 0 0 0 2 4 3 3 2 2 1 0 0 13 28 28 22 15 9 5 3 1 0 1 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 7 17 19 16 11 7 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 4 10 11 10 8 6 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 3 4 5 3 2 1 0 0 !Region 1: Section 4->6 17 34 36 30 25 21 13 6 2 10 22 33 40 43 41 33 19 5 2 5 12 22 29 34 40 28 9 32 72 82 79 62 41 28 16 5 20 48 65 78 81 71 60 43 16 4 12 21 35 55 68 73 65 29 40 86 99 93 71 47 29 16 4 25 60 84 99 99 85 67 45 16 5 16 31 50 71 80 80 67 30 45 93 99 89 68 49 34 18 5 28 65 84 95100 95 84 56 19 5 17 31 48 73 91 99 81 33 30 67 78 72 56 40 28 16 4 19 47 66 75 76 69 64 48 18 4 13 25 39 57 70 80 73 35 23 53 61 58 47 31 21 12 4 15 39 56 69 71 62 52 37 14 4 12 23 37 51 58 60 52 25 15 34 40 38 31 23 16 9 3 10 24 33 40 45 48 44 31 12 2 6 12 21 36 52 59 50 25 8 19 25 25 22 17 13 8 3 5 13 21 26 29 30 30 24 10 1 4 8 13 19 27 34 36 18 4 5 8 10 8 5 3 2 0 2 4 8 11 11 10 8 7 2 1 2 4 6 9 12 12 12 7 !Region 1: Section 7->9 0 1 2 4 7 12 20 18 6 0 0 1 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 1 3 4 9 19 31 41 43 21 0 1 1 2 2 4 8 9 4 0 0 0 1 0 0 0 0 0 1 3 5 12 25 36 44 43 22 0 1 1 2 3 5 8 9 5 0 0 0 0 0 0 0 0 0 1 3 6 12 25 38 50 50 24 0 1 1 2 3 5 9 10 5 0 0 1 0 0 0 0 0 0 1 3 5 11 22 34 47 49 26 1 1 1 2 3 6 10 11 6 0 0 0 0 0 1 1 1 0 1 3 5 9 17 24 31 34 18 1 1 1 1 2 4 7 8 5 0 0 0 0 1 1 1 1 0 1 2 3 7 14 24 33 34 19 1 1 1 1 2 3 6 8 5 0 0 0 0 0 0 0 1 0 1 1 2 4 6 11 19 25 14 0 0 0 1 1 2 5 7 4 0 0 0 0 1 0 1 1 0 0 1 1 2 3 6 7 9 6 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 I/Sigma = 245.43 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.061 Region 2 Sum = 299958; Maximum = 4434.56; FM = 0.931 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 1 2 6 14 13 5 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 9 7 3 1 0 0 1 5 18 42 41 19 3 1 0 0 0 0 0 0 0 0 0 0 0 2 6 11 10 6 2 0 0 1 8 27 55 60 40 11 1 0 0 0 0 0 0 0 0 0 0 0 3 6 10 11 8 3 0 0 2 11 33 57 65 53 21 2 0 0 0 0 0 0 0 0 0 0 0 3 6 9 8 6 2 0 0 2 13 34 51 53 42 16 2 0 0 0 0 0 0 0 0 0 0 0 2 5 6 5 3 1 0 0 1 9 25 40 35 22 7 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 1 4 12 24 18 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 7 5 2 1 0 0 !Region 2: Section 4->6 0 1 3 5 5 3 1 0 0 0 1 2 5 7 5 3 1 0 0 0 1 2 4 4 3 1 0 0 2 7 18 21 12 4 1 0 0 1 5 15 26 21 10 3 1 0 1 2 9 20 20 10 4 1 1 5 21 57 62 33 9 2 0 0 3 12 39 56 40 17 5 1 0 1 6 24 45 36 17 6 1 1 9 36 79 93 67 21 4 0 1 6 25 65 82 62 28 9 1 0 3 14 49 66 49 25 9 2 2 16 50 86100 86 37 6 1 1 12 42 77 85 72 39 11 1 1 7 32 66 68 52 31 12 2 2 18 51 79 84 70 30 5 0 2 15 44 71 76 64 36 10 1 1 11 39 63 61 48 31 11 1 1 12 38 64 60 40 14 3 0 1 10 32 57 58 43 21 7 1 1 8 28 47 46 36 20 7 1 1 5 18 38 33 15 5 1 0 1 4 14 33 35 20 9 3 1 0 4 12 27 30 21 11 4 1 0 1 5 11 10 4 1 1 0 0 1 4 9 10 7 4 1 0 0 1 4 7 9 8 5 2 0 !Region 2: 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 3 8 8 4 2 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 10 22 19 8 3 1 0 0 0 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 25 35 26 13 5 1 0 0 1 5 8 6 3 2 0 0 0 0 0 1 1 1 0 0 0 3 17 37 37 27 15 6 1 0 1 3 8 9 7 4 2 0 0 0 0 1 1 1 1 0 0 0 6 23 37 32 24 14 6 1 0 1 5 8 8 6 4 2 0 0 0 0 1 1 1 1 0 0 0 5 17 26 24 19 11 5 1 0 1 4 6 6 5 4 2 0 0 0 0 1 1 1 1 0 0 0 2 7 14 16 13 7 3 1 0 0 2 3 4 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 2 4 6 6 3 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 198.08 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.079 Region 3 Sum = 142767; Maximum = 2340.76; FM = 0.909 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 2 5 9 8 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 9 16 16 10 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 1 5 13 20 22 16 5 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 1 8 18 24 26 19 7 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 2 8 19 26 24 14 5 1 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 0 0 0 1 6 14 22 17 8 3 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 1 4 8 12 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 3 1 1 0 0 !Region 3: Section 4->6 0 1 3 6 6 3 1 0 0 0 1 2 6 7 5 2 1 0 0 0 1 2 3 4 3 1 0 1 4 11 24 24 14 5 1 0 0 3 9 23 27 19 9 3 0 0 1 3 8 13 13 9 4 1 1 7 24 50 50 34 10 2 0 1 6 22 51 57 42 16 4 1 0 2 7 20 30 26 15 6 2 2 13 40 65 71 53 17 3 0 1 12 40 74 87 65 25 5 1 1 4 15 38 54 43 22 8 2 3 22 54 75 79 60 22 3 0 3 22 58 89100 78 32 6 1 1 8 26 53 69 57 28 9 2 3 24 57 78 72 48 18 3 0 3 27 66 94 93 70 30 7 1 1 13 35 58 65 56 30 11 2 2 16 41 65 53 28 10 2 0 3 20 53 81 72 47 20 5 1 1 13 36 53 52 42 23 8 1 2 9 20 38 31 14 5 1 0 2 11 29 54 47 27 12 4 1 1 8 25 40 38 28 16 6 1 0 2 5 9 9 4 2 1 0 0 3 7 16 16 9 4 2 0 0 2 6 14 15 10 6 3 1 !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 4 5 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 11 11 8 5 2 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 13 23 20 13 6 2 0 0 0 2 5 4 3 2 1 0 0 0 0 0 0 0 0 0 0 2 6 21 31 27 16 7 2 0 0 1 4 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 3 11 23 27 24 16 7 2 0 0 2 4 5 4 3 2 1 0 0 0 0 0 0 0 0 0 0 5 14 21 20 18 12 6 1 0 1 2 4 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 4 11 17 16 13 8 4 1 0 1 2 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 6 5 4 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 46.51 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 4 Sum = 9120.07; Maximum = 114.276; FM = 0.717 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 7 10 9 6 2 1 2 0 0 0 0 -1 0 0 0 0 0 0 1 1 1 0 1 1 1 0 2 9 11 9 7 4 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 8 10 9 7 5 4 3 1 0 0 0 0 0 1 1 0 0 0 1 1 1 1 2 1 1 0 1 6 9 9 7 5 3 2 1 0 1 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 1 4 7 7 5 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 3 5 5 4 4 4 2 0 0 0 1 0 0 1 0 0 0 0 1 2 1 1 1 0 0 0 0 3 4 4 4 3 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 2 2 2 1 0 0 0 !Region 4: Section 4->6 0 6 21 23 14 9 4 3 1 1 9 30 37 25 19 9 7 3 0 5 14 21 16 15 11 10 3 5 34 52 50 39 20 11 7 2 6 44 74 84 69 43 27 18 5 2 17 33 48 43 32 26 22 6 9 45 57 62 48 30 20 11 2 11 55 78100 86 64 45 27 6 4 20 34 53 51 47 40 31 7 8 39 52 60 51 37 26 15 3 11 48 71 96 91 79 60 38 9 4 17 30 51 56 60 55 44 11 6 29 44 54 44 38 30 17 3 8 36 59 85 83 83 70 45 11 3 13 25 45 54 64 63 53 14 4 18 31 40 35 35 30 17 4 5 23 41 63 68 77 71 44 12 2 8 18 34 46 60 65 53 15 2 11 20 25 27 30 26 16 4 2 13 26 40 52 64 59 40 13 1 5 12 22 35 49 56 47 15 1 7 13 19 22 19 17 13 3 1 8 16 29 39 43 40 33 10 0 4 8 16 24 34 41 39 11 0 3 5 9 8 6 6 3 0 0 4 6 13 15 13 18 8 1 0 2 3 6 11 11 18 8 1 !Region 4: Section 7->9 0 1 2 4 3 6 7 8 1 0 0 0 1 1 2 3 3 0 0 0 0 1 1 0 0 0 0 0 2 5 9 9 9 14 17 4 0 1 1 2 2 2 5 7 2 1 1 0 1 1 1 1 1 0 1 2 4 9 10 13 17 21 5 0 1 1 1 2 3 5 7 1 0 1 0 1 1 1 1 1 0 0 1 4 9 12 16 25 29 7 0 1 1 2 2 2 7 9 2 0 1 0 1 1 1 1 1 0 0 2 4 8 12 17 27 36 9 0 1 2 2 2 2 6 11 3 0 0 1 1 0 0 0 1 0 0 1 4 8 11 16 29 36 9 0 1 3 3 2 3 7 11 3 0 0 1 1 1 1 1 1 0 0 1 4 6 9 14 27 32 8 0 1 2 2 3 3 8 10 2 0 0 1 1 2 1 1 0 0 0 1 3 4 6 10 21 25 5 0 1 2 2 2 2 5 7 2 0 0 0 1 1 1 0 0 0 0 1 1 2 3 3 8 4 0 0 0 1 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 38.21 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 5 Sum = 7982; Maximum = 112.607; FM = 0.603 !Region 5: Section 1->3 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 2 4 4 3 3 1 1 0 0 0 0 -1 0 0 0 0 0 0 1 0 -1 0 1 0 1 0 2 7 9 7 7 6 3 2 0 0 0 0 0 0 0 -1 0 0 0 1 1 1 0 1 0 0 0 2 8 9 9 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 7 8 8 7 5 4 3 1 0 0 0 0 -1 0 -1 0 0 0 0 0 0 0 1 0 1 0 1 4 6 7 5 5 4 3 1 0 0 0 -1 0 0 -1 1 0 0 0 0 0 0 1 0 2 0 1 3 4 5 4 3 4 2 1 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 1 1 1 0 0 2 3 3 3 2 3 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 2 3 3 3 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 !Region 5: Section 4->6 2 14 24 25 17 16 10 6 1 3 18 33 36 24 23 15 9 2 1 6 13 15 11 12 13 12 2 10 47 65 55 49 39 24 14 2 12 61 91 79 68 56 39 24 3 3 21 37 34 30 31 35 31 4 13 57 70 63 51 43 34 18 3 16 80100 91 74 64 53 31 4 6 31 40 39 35 36 44 41 6 10 44 59 60 51 41 34 22 4 13 60 81 86 73 63 55 37 6 5 23 32 36 34 36 43 46 7 7 33 45 50 44 38 31 22 4 10 45 62 71 64 58 50 38 6 3 17 24 30 30 31 37 42 7 4 20 29 36 32 27 24 19 3 5 27 40 52 49 42 38 33 5 2 10 16 22 24 23 28 33 5 2 12 21 23 24 17 19 15 2 2 15 27 33 35 28 30 25 4 1 5 10 14 15 15 20 22 4 1 8 15 16 18 14 12 8 1 2 10 18 21 26 22 19 11 1 1 3 6 8 10 12 13 9 1 1 4 7 7 6 6 4 3 0 1 5 8 10 8 10 6 3 0 1 2 2 3 3 5 4 2 0 !Region 5: Section 7->9 0 0 2 2 2 5 11 13 2 0 0 0 0 1 1 4 5 1 0 0 0 0 0 0 0 0 0 0 2 5 5 6 14 28 32 5 0 1 2 1 2 4 10 12 2 0 0 0 0 0 0 1 1 0 0 3 4 5 9 14 34 45 7 0 1 1 1 3 4 12 17 3 0 0 0 0 0 0 1 1 0 0 3 4 5 9 15 32 49 9 0 1 2 2 3 5 11 19 4 0 1 1 1 1 0 0 1 0 0 2 3 6 7 11 26 42 8 0 1 1 3 2 3 9 16 4 0 0 0 1 0 0 0 0 0 0 2 4 4 6 8 19 32 6 0 1 2 1 2 3 7 12 3 0 0 1 0 0 0 0 0 0 0 0 2 2 3 5 10 19 4 0 0 1 1 1 2 4 8 2 0 0 1 0 0 1 1 1 0 0 0 0 0 1 4 6 7 2 0 0 0 0 0 2 2 3 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 2 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.02179; Maximum = 0.0114854; FM = 0.584 !Region 6: Section 1->3 0 0 0 0 1 0 0 0 0 1 1 2 1 1 1 0 0 0 3 9 11 11 8 6 3 1 0 0 0 0 0 1 1 1 1 0 1 2 2 1 2 2 2 1 0 5 22 25 23 16 12 8 4 1 0 0 0 0 0 1 0 0 0 1 2 2 3 2 2 1 1 0 6 24 26 24 16 12 8 5 1 0 0 0 1 0 1 1 1 0 1 2 2 2 2 2 1 1 0 6 22 24 20 15 10 6 4 1 0 0 0 1 0 1 -1 0 0 0 1 2 2 1 2 0 1 0 4 17 18 15 12 8 6 4 1 0 0 1 1 0 1 0 1 0 0 1 2 2 1 1 0 2 0 3 11 11 11 8 6 4 4 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 6 8 8 7 4 4 3 0 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 4 5 5 5 3 3 2 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 2 2 2 2 1 0 !Region 6: Section 4->6 6 24 34 35 25 23 14 6 1 5 24 38 42 35 37 28 12 2 1 8 15 20 22 27 30 18 2 14 66 82 77 62 47 32 18 3 12 67 93 92 84 74 61 38 6 4 23 37 44 51 60 64 50 10 16 74 87 81 63 50 38 21 3 15 78100 99 89 80 65 43 8 5 29 41 48 55 62 62 55 12 15 62 76 73 59 46 34 20 4 13 63 85 91 83 74 63 43 8 4 23 34 44 50 55 59 56 11 10 49 57 56 47 37 29 19 3 10 50 64 71 66 59 51 39 8 3 19 26 34 37 43 48 49 11 7 31 38 41 34 27 21 17 3 6 31 44 53 49 43 38 32 6 2 12 19 26 28 31 35 38 8 4 18 26 27 25 18 16 12 2 4 18 30 34 34 29 29 24 5 1 7 13 16 18 21 26 28 7 2 10 16 17 17 14 12 7 1 2 10 18 21 24 22 21 15 3 1 4 7 9 13 16 19 18 4 1 4 7 8 6 6 4 2 0 1 4 7 10 9 10 8 5 1 0 2 3 5 5 7 8 7 2 !Region 6: Section 7->9 0 1 3 4 7 10 17 14 2 0 0 1 1 1 1 3 4 1 0 0 0 0 0 0 0 0 0 0 3 6 9 16 27 38 36 7 0 0 2 1 2 4 8 9 2 0 0 0 0 0 0 1 0 0 0 4 7 10 17 27 38 43 10 0 1 2 1 3 5 10 12 3 0 0 1 0 0 0 1 1 0 1 4 5 10 16 24 36 45 10 0 1 1 3 3 5 10 14 3 0 0 0 1 1 0 1 1 0 0 3 4 8 11 18 29 39 9 0 0 0 3 3 4 8 13 3 0 0 0 1 0 0 1 1 0 0 3 5 6 8 13 20 30 7 0 1 2 1 2 3 5 10 2 0 0 1 0 0 0 0 1 0 0 2 3 3 5 8 13 20 6 0 1 1 0 1 2 3 7 2 0 0 1 0 0 0 0 1 0 0 0 1 2 3 6 10 13 4 0 0 1 0 0 2 2 4 1 0 0 0 0 0 1 0 0 0 0 1 0 1 1 2 4 5 1 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 31.33 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 7 Sum = 4839.25; Maximum = 51.3105; FM = 0.517 !Region 7: Section 1->3 0 1 1 0 1 0 0 0 0 1 2 2 2 2 1 1 0 0 4 15 18 19 13 10 6 1 0 0 0 -1 0 2 1 2 1 0 1 4 3 4 4 2 3 1 0 5 36 40 38 25 17 12 5 0 0 0 -1 0 1 2 0 0 0 1 3 2 4 4 3 2 2 0 6 37 39 37 25 17 13 7 1 0 0 0 2 1 2 1 3 0 1 3 3 4 4 4 2 2 1 6 32 36 30 22 16 8 4 1 0 0 1 2 1 3 -1 0 0 0 2 3 4 4 3 0 1 0 4 26 26 20 17 11 6 5 1 0 0 2 3 -1 2 0 0 0 0 2 3 4 1 2 1 2 0 3 16 15 14 10 8 5 5 1 0 1 1 2 -1 0 1 1 0 0 2 2 4 1 1 2 1 0 2 8 10 13 9 6 5 3 0 0 0 1 3 1 1 1 -1 0 0 1 2 2 2 1 2 0 0 0 4 6 6 6 4 5 2 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 2 1 0 0 1 3 3 2 3 3 1 0 !Region 7: Section 4->6 7 33 43 45 33 31 19 6 0 5 28 41 46 43 48 40 13 0 1 9 16 24 32 40 46 20 1 12 81 95 94 71 54 40 21 3 10 71 89100 95 90 82 50 7 3 25 36 53 70 86 92 64 11 13 82 94 90 70 55 40 23 3 9 70 90 96 93 90 72 52 10 3 26 39 53 69 83 74 63 14 11 70 83 75 60 45 30 16 3 8 59 78 84 80 72 60 41 7 3 22 33 48 57 65 63 56 10 8 58 60 52 44 31 22 13 2 7 50 57 59 56 50 42 34 6 2 20 25 32 37 46 47 45 8 5 35 39 36 29 22 14 12 2 4 30 41 43 37 34 29 26 4 1 12 20 24 23 31 33 36 7 3 20 25 26 22 16 11 7 1 3 19 28 29 25 21 20 19 3 1 9 15 16 15 18 22 26 6 1 9 14 15 13 11 9 4 1 1 9 15 16 18 18 18 15 3 0 3 8 9 14 16 22 24 5 0 2 6 6 5 6 5 2 0 0 2 6 8 8 9 9 7 1 0 1 3 5 7 7 10 11 2 !Region 7: Section 7->9 0 1 4 6 11 15 23 13 1 0 0 1 1 1 0 2 2 0 0 0 0 0 0 -1 0 0 0 0 3 8 14 25 38 45 35 6 0 -1 2 1 3 4 6 4 1 0 -1 0 0 1 0 0 0 0 1 5 10 15 24 37 38 34 8 0 1 4 2 2 5 6 5 1 0 0 2 1 1 1 0 0 0 1 5 6 14 20 29 33 34 7 0 1 0 3 2 5 7 7 1 0 0 0 2 0 1 1 1 0 1 4 5 9 13 21 25 28 5 0 0 -1 3 3 4 6 8 1 0 -1 0 1 1 1 1 2 0 0 3 6 7 8 15 16 23 4 0 0 1 1 2 3 1 6 1 0 0 0 0 1 0 -1 1 0 0 3 5 4 4 8 11 16 4 0 2 2 0 0 1 1 3 1 0 1 1 0 0 0 0 0 0 0 1 2 3 4 6 11 15 3 0 1 1 1 0 1 2 4 1 0 0 1 0 0 1 1 1 0 0 0 1 2 3 2 5 8 2 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 I/Sigma = 44.93 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 8 Sum = 11300.1; Maximum = 129.794; FM = 0.483 !Region 8: Section 1->3 0 1 1 0 0 0 0 0 0 1 2 3 1 1 1 1 1 0 7 15 18 14 9 7 3 1 0 1 1 1 0 1 1 0 0 0 2 6 5 3 2 2 1 1 0 15 42 45 36 22 12 6 4 1 1 1 1 1 0 1 0 0 0 2 6 5 4 2 2 1 1 1 20 52 55 37 21 12 7 4 1 0 0 0 0 0 1 0 0 0 2 5 4 2 1 1 0 0 0 21 54 52 33 19 11 5 2 0 0 1 1 0 0 1 0 0 0 2 4 4 2 1 1 0 0 0 19 48 44 29 17 9 4 2 0 1 1 1 0 1 1 0 0 0 2 3 3 2 1 1 0 0 0 14 36 33 20 12 6 3 2 0 0 0 0 1 1 0 0 1 0 1 2 2 2 2 1 0 1 0 10 22 20 14 9 5 2 2 1 0 0 0 1 1 0 0 0 0 1 1 0 1 2 0 0 1 0 5 10 10 8 6 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 1 0 !Region 8: Section 4->6 12 26 31 31 20 16 8 3 1 6 15 22 35 32 39 26 11 2 1 5 10 27 36 52 40 20 3 24 70 82 74 51 30 18 9 2 12 39 59 79 76 70 56 35 8 2 10 29 62 81 91 81 57 14 33 90100 75 47 30 18 10 2 16 51 70 78 67 59 48 34 8 3 14 32 61 69 75 69 55 15 37 95 95 69 43 25 13 6 1 20 54 64 69 57 48 37 26 6 4 13 28 50 55 60 55 44 12 33 85 81 59 37 22 12 6 1 18 49 54 53 43 36 29 21 5 4 12 21 34 38 42 39 35 10 26 65 62 41 26 15 9 5 1 15 36 41 34 29 26 23 18 4 3 9 14 20 24 31 32 30 8 17 40 38 28 18 11 6 4 1 10 23 25 23 21 19 18 14 3 2 6 9 13 19 23 28 24 6 7 18 21 16 12 7 4 3 1 4 11 14 15 16 15 15 11 3 1 4 6 10 15 20 23 18 5 1 2 5 5 4 3 1 1 0 0 1 5 5 7 6 7 5 1 0 1 3 4 8 9 11 10 3 !Region 8: Section 7->9 0 2 3 9 15 22 19 11 2 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 3 9 22 33 40 38 29 8 0 1 1 1 2 3 3 3 1 0 1 0 1 1 1 1 1 0 1 4 10 21 28 34 33 29 9 0 1 1 1 2 3 3 3 1 0 0 0 1 1 1 1 0 0 1 3 9 17 22 27 27 24 8 0 0 2 1 2 2 3 3 1 0 0 1 1 1 1 1 0 0 0 3 6 11 15 19 19 19 6 0 1 1 1 2 2 2 3 1 0 0 0 0 1 0 1 1 0 1 2 3 6 10 13 15 17 6 0 0 0 0 1 1 2 4 2 0 0 0 0 0 0 0 1 0 0 2 2 5 8 10 14 14 4 0 0 0 1 2 1 2 3 1 0 0 0 1 1 0 0 1 0 0 1 2 4 6 9 11 11 4 0 0 1 2 1 1 1 3 1 0 0 0 0 0 0 0 1 0 0 1 2 2 3 4 6 6 2 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 136.38 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.154 Region 9 Sum = 83846.2; Maximum = 1113.13; FM = 0.883 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 5 5 3 1 1 1 0 1 1 1 0 0 0 0 0 0 2 5 4 3 1 1 0 0 0 3 9 12 13 9 5 2 1 0 1 1 1 1 0 0 0 0 0 2 6 6 5 3 1 1 0 0 3 11 18 22 17 8 3 1 0 1 2 2 1 0 0 0 0 0 3 8 9 10 6 2 1 0 0 4 15 25 35 29 13 4 1 0 1 2 2 2 1 0 0 0 0 3 9 12 15 11 5 1 1 0 5 19 33 46 39 21 7 2 0 1 2 2 2 1 1 0 0 0 3 10 13 16 13 8 3 1 0 6 21 35 47 41 27 11 2 0 1 2 2 1 1 1 0 0 0 3 8 11 12 11 7 3 1 0 5 18 28 35 33 24 10 2 0 0 1 1 1 1 0 0 0 0 2 5 7 8 6 4 2 0 0 3 12 18 22 19 13 5 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 0 0 0 1 4 7 6 5 3 1 0 0 !Region 9: Section 4->6 1 4 8 15 13 6 3 2 0 0 2 8 16 19 12 7 3 1 0 1 3 8 13 12 9 5 2 2 9 20 33 34 20 9 3 1 1 6 18 38 48 33 18 8 2 0 2 9 23 33 29 20 12 4 3 14 32 56 60 33 13 4 1 2 10 31 64 77 49 25 10 2 1 4 16 36 46 38 27 15 4 4 19 48 82 82 46 19 6 1 2 16 47 89 97 63 33 12 3 1 7 24 46 54 44 32 17 5 5 26 61 96 91 59 27 7 1 3 21 59 96100 72 40 13 2 1 8 27 46 53 45 33 17 5 6 31 66 91 85 63 32 8 1 4 24 61 87 88 69 40 13 2 1 8 24 39 44 39 29 15 4 6 27 52 69 66 47 22 5 1 4 20 44 64 66 48 26 9 2 1 5 15 26 31 26 19 11 3 4 17 32 42 38 24 10 3 1 2 12 25 36 37 24 12 5 1 1 3 7 12 16 13 10 6 2 1 6 11 12 10 5 2 1 0 1 5 8 10 10 6 3 2 0 0 1 2 3 4 4 3 3 1 !Region 9: Section 7->9 0 0 1 2 5 7 7 5 2 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 8 14 16 14 11 4 0 0 1 2 4 6 6 5 2 0 0 0 0 1 1 1 1 0 0 1 5 12 19 21 19 14 5 0 0 1 3 6 9 8 7 3 0 0 0 0 1 2 2 2 1 0 2 7 15 21 23 21 16 6 0 0 1 4 6 9 9 8 3 0 0 0 1 1 2 2 2 1 0 2 7 14 19 21 21 16 6 0 0 1 3 5 7 8 8 3 0 0 0 1 1 1 2 2 1 0 1 5 10 14 17 17 14 5 0 0 1 2 4 6 7 7 3 0 0 0 0 1 1 2 2 1 0 1 2 6 9 12 12 10 4 0 0 0 1 2 5 5 5 2 0 0 0 0 0 1 1 1 1 0 1 1 2 4 6 7 6 3 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 2 1 0 0 0 0 0 1 1 1 1 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 (205 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) 205 0 205 5.3559 0.8603 16.552 127.314 Orientation ('UB') matrix: 0.1443263 0.0356621 -0.0036171 0.0290083 -0.0024431 0.0770450 0.0658301 -0.0771093 -0.0041139 A B C Alpha Beta Gamma Vol 6.2431 11.7658 13.0344 90.000 96.648 90.000 951.01 0.0004 0.0011 0.0005 0.000 0.002 0.000 0.17 Corrected for goodness of fit: 0.0013 0.0033 0.0014 0.000 0.007 0.000 0.49 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.757 95.809 24.225 Goniometer zeros (deg): 0.0000* -0.0090 0.0000* 0.0245 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7762 -0.7404 0.0621 -0.2690 -0.1579 0.8774 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.15493e+03 5.00673e+03 2.96 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 205 205 175 Average input ESD (pix, pix, deg): 0.14094 0.11477 0.04987 Goodness of fit: 3.08873 3.18895 2.34977 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 1.158 1.251 2.462 Average missing volume: 0.045 % with too much missing I: 3.502 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 3. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:20 Current XYZ spot size: 1.158 1.251 2.462 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): 0.162 0.145 0.344 Profile convolver halfwidth: 1.00 1.00 1.70 Background pixels updated = 96.59% 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 17 0.00 0.00 3.19 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 3.19 1.000 2_0003 3 -0.04 0.00 -0.06 0.05 0.06 0.11 70782 129 0 0.75 22 2.47 3.08 3.19 1.000 3_0004 8 -0.08 -0.19 0.06 0.19 0.23 0.24 30086 58 0 0.46 25 2.81 3.62 3.02 1.000 4_0005 14 -0.05 -0.13 0.03 0.12 0.19 0.17 58250 96 0 0.77 27 2.54 3.65 2.79 1.000 5_0006 11 0.03 -0.05 -0.02 0.12 0.15 0.07 60937 87 0 0.77 31 2.45 3.75 2.63 1.000 6_0007 7 0.03 -0.01 -0.01 0.15 0.13 0.18 48155 89 0 0.79 28 2.43 3.81 2.62 1.000 7_0008 9 0.10 -0.15 -0.04 0.33 0.33 0.09 16429 43 0 0.76 30 2.41 3.76 2.54 1.000 8_0009 12 -0.02 -0.13 0.01 0.19 0.18 0.09 34854 68 0 0.75 27 2.41 3.74 2.47 1.000 9_0010 10 0.01 -0.07 -0.20 0.09 0.13 0.53 66675 91 0 0.83 25 2.41 3.73 2.56 1.000 10_0011 6 0.00 -0.10 -0.02 0.12 0.18 0.05 14197 41 0 0.66 27 2.39 3.68 2.47 1.000 11_0012 9 -0.07 -0.07 -0.02 0.13 0.17 0.04 28100 71 0 0.71 28 2.39 3.64 2.47 1.000 12_0013 10 0.05 -0.14 -0.01 0.13 0.20 0.09 23977 59 0 0.68 27 2.36 3.62 2.55 1.000 13_0014 14 0.16 -0.14 -0.06 0.48 0.42 0.13 44725 73 0 0.78 30 2.35 3.62 2.55 1.000 14_0015 9 0.11 -0.09 -0.06 0.28 0.22 0.19 14431 43 0 0.78 28 2.33 3.61 2.63 1.000 15_0016 11 0.13 0.05 -0.06 0.36 0.33 0.18 36419 65 0 0.69 27 2.33 3.60 2.61 1.000 16_0017 13 -0.05 -0.08 -0.04 0.14 0.15 0.17 45470 83 0 0.73 25 2.35 3.58 2.59 1.000 17_0018 6 -0.04 -0.04 0.03 0.09 0.08 0.11 12633 45 0 0.75 26 2.35 3.56 2.59 1.000 18_0019 7 -0.11 -0.11 0.02 0.17 0.15 0.13 15806 47 0 0.71 25 2.35 3.56 2.59 1.000 19_0020 9 0.05 -0.10 -0.01 0.08 0.14 0.07 80374 102 0 0.72 28 2.35 3.57 2.57 1.000 Background pixels updated = 96.54% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 13 0.05 -0.12 -0.02 0.12 0.16 0.12 18152 53 0 0.75 28 2.34 3.59 2.62 1.000 21_0022 11 0.02 -0.06 -0.06 0.13 0.11 0.16 26272 62 9 0.77 27 2.38 3.62 2.63 1.000 22_0023 7 0.12 -0.02 -0.00 0.18 0.17 0.06 69511 107 0 0.76 30 2.39 3.64 2.63 1.000 23_0024 10 -0.02 -0.08 0.10 0.07 0.13 0.61 42856 66 0 0.75 25 2.39 3.63 2.64 1.000 I/Sigma = 66.38 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.079 Region 1 Sum = 25621.3; Maximum = 323.513; FM = 0.803 !Region 1: Section 1->3 0 1 0 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 4 10 11 8 5 2 1 1 0 1 2 1 1 1 0 0 0 0 4 7 5 3 2 1 1 1 0 9 22 25 19 11 5 2 1 1 1 1 1 1 0 0 0 0 0 3 6 5 3 2 1 1 1 1 9 25 29 24 14 6 3 2 1 1 1 1 1 0 1 0 0 0 2 5 5 3 2 1 1 1 0 11 31 40 33 18 9 4 2 1 0 1 1 1 0 1 0 0 0 1 4 4 3 2 1 1 1 0 11 31 41 34 20 9 4 2 1 0 1 1 1 1 0 0 0 0 1 3 3 2 2 1 1 1 0 8 21 28 24 15 8 4 2 1 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 4 10 14 14 9 5 3 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 2 4 6 7 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 2 1 1 0 0 !Region 1: Section 4->6 4 11 16 15 13 7 3 2 0 1 5 8 12 15 14 9 5 2 0 1 2 5 10 13 13 9 3 9 27 39 38 31 18 9 4 1 3 11 21 32 42 37 26 14 4 1 2 5 13 27 35 35 25 9 12 36 54 53 42 24 13 5 2 5 17 34 49 62 53 38 20 6 1 3 9 22 44 56 56 38 13 17 53 80 79 59 35 17 8 2 8 29 55 78 91 79 55 28 8 1 6 16 37 68 85 81 51 17 19 57 84 83 63 38 19 8 2 9 33 61 86100 90 64 32 9 2 8 20 44 78 97 91 57 19 14 40 60 61 47 30 16 7 2 7 24 44 66 78 74 53 28 9 2 6 15 35 62 81 77 51 18 8 20 30 34 28 19 10 5 1 4 12 22 35 45 46 35 20 7 1 4 8 19 35 51 52 37 14 3 7 13 16 15 11 7 3 1 2 5 9 17 23 26 22 14 5 1 2 4 9 18 28 31 25 10 0 2 4 6 6 5 3 1 0 0 1 3 6 9 10 9 5 2 0 1 1 3 7 11 13 9 4 !Region 1: Section 7->9 0 1 1 1 3 5 7 6 3 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3 7 12 19 16 7 0 0 0 1 1 1 3 3 1 0 0 0 0 0 0 0 0 0 0 1 2 4 12 23 31 25 10 0 0 1 1 1 3 4 4 2 0 0 0 0 0 0 0 0 0 1 1 3 8 21 36 45 34 12 0 1 1 1 2 4 6 6 2 0 0 0 0 0 0 1 1 0 1 2 4 9 24 40 49 37 13 0 1 1 1 2 4 7 7 3 0 0 0 0 0 0 0 1 0 0 2 3 7 19 34 42 33 13 0 1 1 1 2 4 6 6 3 0 0 0 0 0 0 1 1 0 0 2 2 4 10 21 29 25 10 0 1 1 0 1 2 5 6 3 0 0 0 0 0 0 1 1 1 0 1 1 3 6 11 18 17 8 0 0 0 0 1 2 3 4 2 0 0 0 0 0 0 1 1 1 0 0 1 1 2 5 7 7 3 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 290.93 Thresh = 0.020 Blend = F #Contributing = 54 InitialProfileWt = 0.061 Region 2 Sum = 346155; Maximum = 11583.5; FM = 0.936 !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 1 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 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 13 17 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 4 2 0 0 0 0 1 7 32 47 21 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 5 2 0 0 0 0 1 13 45 60 38 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 1 10 32 35 17 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 12 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 0 !Region 2: Section 4->6 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 5 2 1 0 0 0 0 0 2 6 4 1 0 0 0 0 0 1 4 4 2 0 0 0 0 3 18 28 10 1 0 0 0 0 1 11 25 15 3 1 0 0 0 1 5 20 15 4 1 0 0 1 9 50 78 40 5 0 0 0 1 5 35 65 40 8 1 0 0 0 3 23 52 34 9 2 0 0 2 21 73100 68 11 1 0 0 1 15 59 81 58 15 2 0 0 1 10 50 66 43 14 2 0 0 2 15 54 63 34 6 1 0 0 1 13 47 59 37 10 1 0 0 1 10 40 47 31 10 2 0 0 1 4 20 24 8 2 0 0 0 0 4 18 26 14 4 1 0 0 0 3 14 22 15 5 1 0 0 0 1 3 4 2 1 0 0 0 0 1 4 6 4 1 0 0 0 0 1 3 6 5 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 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 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 2 9 7 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 10 26 17 4 1 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 5 28 36 21 7 1 0 0 0 1 4 7 5 2 1 0 0 0 0 0 1 1 0 0 0 0 0 5 21 24 15 5 1 0 0 0 1 3 5 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 1 7 12 9 3 1 0 0 0 0 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 1 0 0 0 0 1 1 1 1 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 I/Sigma = 149.53 Thresh = 0.020 Blend = F #Contributing = 40 InitialProfileWt = 0.090 Region 3 Sum = 117158; Maximum = 3721.34; FM = 0.948 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 2 4 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 9 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 2 7 15 18 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 1 0 0 0 0 3 9 20 23 11 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 3 8 16 17 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 5 7 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 3: Section 4->6 0 0 1 3 3 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 1 1 0 0 1 4 8 10 5 1 0 0 0 1 2 6 11 8 3 1 0 0 0 1 2 6 6 4 2 0 0 2 8 21 26 13 3 0 0 0 1 6 19 35 22 6 1 0 0 0 2 8 21 18 8 2 0 0 3 16 39 51 28 5 1 0 0 2 13 46 76 47 11 1 0 0 1 5 24 51 39 13 3 0 1 5 23 51 62 33 6 1 0 0 4 26 71100 63 14 2 0 0 1 13 45 74 55 17 3 0 1 5 19 43 46 19 4 1 0 0 4 27 69 81 48 12 2 0 0 2 17 49 65 48 15 3 0 1 4 10 20 20 8 2 1 0 0 3 12 37 44 23 7 1 0 0 2 8 30 41 27 10 2 0 0 2 5 7 6 3 1 0 0 0 2 6 11 16 10 3 1 0 0 1 4 10 18 14 5 1 0 0 1 2 2 2 1 0 0 0 0 1 2 3 3 2 1 0 0 0 0 2 3 4 3 2 1 0 !Region 3: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 13 7 3 0 0 0 0 0 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 17 17 9 3 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 10 17 16 8 2 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 13 11 5 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 7 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.26 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 4 Sum = 13964.6; Maximum = 238.196; FM = 0.822 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 0 0 0 1 5 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 6 10 8 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 6 13 11 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 4 11 11 8 5 3 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 3 7 8 6 5 2 2 1 0 0 1 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 1 2 4 5 4 4 2 1 1 0 0 1 1 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 2 3 4 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 2 2 2 1 0 0 !Region 4: Section 4->6 0 4 8 10 8 3 1 0 0 0 4 10 16 17 9 5 1 0 0 1 4 9 12 12 9 4 1 3 16 26 23 17 8 4 1 0 3 16 31 37 34 19 11 3 1 1 4 11 18 23 23 22 11 3 4 26 50 45 30 13 5 3 1 4 28 58 65 50 27 14 7 1 2 7 18 29 27 23 23 16 4 4 28 64 70 48 25 11 4 1 5 31 75100 80 50 26 10 2 2 9 22 42 41 35 29 16 4 3 23 55 70 55 39 18 6 1 4 25 63 99 99 79 44 17 3 2 7 19 41 54 56 49 26 5 2 11 33 50 46 42 21 9 2 2 12 38 71 86 87 52 25 4 1 4 12 31 49 62 57 35 6 1 5 16 28 31 30 18 8 1 1 5 18 38 57 63 44 24 5 1 2 7 17 33 47 48 32 7 0 2 9 17 20 17 14 7 1 1 3 10 22 34 36 32 19 4 1 1 4 10 19 26 33 25 5 0 1 4 6 8 8 5 2 0 0 1 4 7 12 14 12 6 1 0 1 1 3 6 8 9 6 1 !Region 4: Section 7->9 0 0 1 2 4 8 8 4 1 0 0 0 0 1 2 2 2 0 0 0 0 0 0 0 0 1 0 0 0 2 3 6 15 20 13 4 0 0 1 1 1 4 6 5 2 0 0 0 0 0 0 0 1 0 0 1 2 4 5 12 19 19 6 0 0 0 1 2 4 6 7 3 0 0 0 0 1 1 1 1 0 0 2 2 4 5 11 19 16 6 0 1 1 1 2 3 5 5 3 0 0 1 0 1 1 1 0 0 1 1 2 4 7 15 30 21 5 0 0 1 1 2 3 7 6 2 0 0 0 0 1 1 1 0 0 1 1 2 5 7 17 33 25 5 0 0 1 2 2 4 8 7 2 0 0 0 1 0 0 1 1 0 1 1 2 4 5 15 28 22 5 0 0 1 2 2 4 7 6 2 0 0 0 0 1 1 0 1 0 1 0 2 2 4 7 17 15 3 0 0 1 1 1 2 4 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 48.30 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 5 Sum = 13687.2; Maximum = 221.856; FM = 0.742 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 -1 0 1 0 0 1 1 1 0 -1 0 2 1 1 4 5 5 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 2 7 9 8 6 3 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 2 9 12 10 9 6 3 2 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 2 1 1 7 11 12 9 6 4 3 1 0 -1 0 -1 0 0 0 0 0 0 -1 0 0 0 1 1 1 0 1 3 7 8 6 6 4 2 0 0 0 0 -1 0 0 0 0 0 0 1 0 0 1 1 1 -1 0 0 2 4 5 5 4 3 0 0 0 0 -1 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 2 3 4 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 0 0 !Region 5: Section 4->6 1 7 10 10 8 5 3 1 0 1 7 12 11 10 7 5 2 1 0 2 4 5 7 11 12 7 2 4 22 31 27 20 12 6 2 1 4 24 37 31 24 18 10 4 1 1 7 12 11 12 20 21 14 3 9 46 60 50 38 21 10 4 1 10 54 71 58 45 30 16 7 1 3 15 22 19 17 23 23 15 4 12 58 86 75 60 40 20 9 2 13 65100 91 73 54 32 15 3 3 17 30 30 29 37 43 28 7 8 43 73 80 64 49 30 13 2 8 47 84 95 79 66 47 24 4 2 12 25 30 31 43 62 48 10 4 22 47 57 50 42 30 15 2 4 24 52 67 63 56 46 28 5 1 6 15 22 25 33 53 49 11 2 9 22 32 30 25 22 12 2 2 10 24 37 37 34 33 23 4 1 3 7 11 14 19 33 36 9 1 5 14 19 19 16 14 6 1 1 5 14 21 23 21 18 10 1 0 1 3 5 7 10 13 14 3 0 2 4 7 7 7 6 1 0 0 2 4 7 9 9 7 1 0 0 1 1 2 2 3 4 2 0 !Region 5: Section 7->9 0 0 2 2 4 10 13 9 3 0 0 1 0 1 2 4 3 1 0 0 0 0 0 0 1 0 0 0 1 3 2 6 16 22 18 5 0 0 1 1 0 3 6 5 2 0 0 0 0 -1 0 1 0 0 1 1 3 3 5 15 20 17 5 0 1 1 1 1 3 5 5 2 0 1 0 0 0 0 1 0 0 1 1 3 3 7 21 36 30 8 0 0 1 1 1 4 8 9 3 0 0 0 0 0 1 1 1 0 0 1 3 4 8 24 53 48 11 0 0 2 2 2 4 12 12 3 0 1 1 1 0 1 2 1 0 0 1 2 4 6 18 44 47 11 0 1 1 2 2 4 10 11 3 0 1 1 0 0 1 1 0 0 0 2 1 2 3 9 26 33 9 0 1 1 1 1 2 6 7 2 0 0 1 0 0 1 1 0 0 0 1 0 0 1 4 8 12 3 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.02909; Maximum = 0.0136047; FM = 0.789 !Region 6: Section 1->3 0 1 1 0 1 0 0 0 0 1 3 3 1 1 0 0 0 0 2 7 7 6 4 2 1 0 0 1 1 1 1 0 0 0 1 0 2 5 4 3 1 0 1 1 1 4 13 15 12 8 5 3 2 1 0 1 0 0 0 0 0 1 0 1 3 3 2 1 0 1 1 1 4 14 17 16 11 6 3 2 1 0 0 0 0 1 0 1 0 0 1 2 2 1 2 1 2 1 1 5 17 21 21 15 9 5 2 1 0 0 0 0 0 1 0 0 0 0 2 1 2 1 2 1 1 1 5 17 21 21 15 9 5 3 1 0 0 0 0 0 1 0 1 0 0 0 1 1 1 1 1 1 0 3 10 15 15 10 7 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 5 7 8 7 5 4 1 0 0 0 0 0 1 1 0 0 0 0 1 0 1 1 1 1 0 0 0 2 4 5 4 4 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 1 2 1 1 0 !Region 6: Section 4->6 2 10 14 15 12 8 5 1 0 1 6 11 13 13 12 9 3 1 1 2 3 4 7 11 12 6 2 6 25 35 34 29 21 13 6 1 4 19 31 34 34 31 25 14 3 1 5 9 12 18 28 33 24 5 10 43 58 57 48 33 18 9 2 8 39 58 62 62 53 39 23 5 2 11 18 23 34 47 50 37 10 15 59 88 87 70 47 25 12 3 12 55 92 98 92 75 53 31 7 3 15 30 39 52 68 70 51 13 13 55 84 89 70 50 28 13 3 10 51 85100 93 79 56 31 7 3 15 28 40 53 67 74 56 14 9 35 58 62 51 38 24 12 2 8 34 58 70 68 59 46 28 6 2 11 19 28 38 48 59 49 13 4 17 27 34 30 23 17 10 1 4 16 27 39 39 34 31 21 4 1 5 9 16 20 26 37 35 9 1 6 14 18 17 15 10 5 1 1 6 14 20 22 22 18 11 2 1 2 5 8 11 16 21 19 5 0 2 5 7 7 6 4 1 0 0 1 5 8 9 9 7 3 1 0 1 2 3 4 7 7 5 2 !Region 6: Section 7->9 0 1 1 2 4 7 9 6 2 0 0 1 0 1 1 3 2 1 0 0 0 0 0 0 1 0 0 0 1 3 3 6 15 22 18 5 0 0 1 1 1 3 5 4 1 0 0 0 0 0 0 1 0 0 1 1 3 4 10 22 31 27 8 0 0 1 1 1 3 6 6 2 0 0 0 0 0 0 1 1 0 1 2 4 7 15 33 44 38 11 0 0 0 1 2 4 7 8 3 0 0 0 0 0 1 1 1 0 0 2 4 7 16 33 51 46 13 0 0 1 2 2 5 10 10 3 0 0 0 1 1 1 1 1 0 0 2 3 6 12 23 41 41 12 0 1 1 1 2 4 9 9 3 0 1 0 0 0 1 1 1 0 0 1 2 4 6 12 25 29 9 0 1 1 1 1 2 5 7 2 0 0 1 0 0 0 1 1 0 0 1 1 1 3 7 13 15 5 0 1 1 0 0 1 3 4 2 0 0 0 0 0 0 1 1 0 0 0 0 1 1 3 5 5 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 41.42 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 9432.38; Maximum = 119.476; FM = 0.778 !Region 7: Section 1->3 1 3 1 1 1 1 0 0 0 2 7 4 3 2 1 1 0 0 4 12 12 9 7 4 2 0 0 1 3 2 1 0 0 0 1 0 4 9 8 4 2 1 1 1 0 6 19 21 15 12 8 5 3 0 1 1 1 0 0 0 1 1 0 2 5 4 3 0 0 1 1 1 5 18 20 20 14 9 5 2 1 0 0 0 -1 1 1 2 1 0 1 3 2 1 2 1 3 1 1 7 22 24 26 19 11 6 2 1 0 0 0 0 0 1 1 0 0 1 2 1 2 3 2 1 1 1 6 22 26 25 18 11 5 2 1 0 0 0 1 1 1 0 1 0 0 1 1 3 3 2 0 2 0 4 13 19 17 12 8 4 3 1 0 -1 0 2 0 1 1 1 0 0 1 1 3 1 1 2 1 0 2 7 9 10 7 5 4 3 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 2 1 0 0 0 2 4 5 4 4 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 2 1 2 1 1 1 !Region 7: Section 4->6 4 13 17 18 15 12 7 2 0 2 5 8 12 13 14 11 3 0 1 1 2 3 6 9 10 3 0 8 25 33 36 35 29 21 12 2 4 11 20 31 38 41 40 25 4 1 2 5 10 19 32 42 31 6 9 33 46 58 55 44 27 14 3 5 20 38 59 72 73 61 41 9 1 5 13 25 45 66 74 59 15 14 53 78 89 74 50 30 16 4 9 42 76 95100 88 71 48 11 3 13 28 44 68 89 90 72 18 16 61 82 86 69 45 24 12 3 12 54 79 92 92 78 55 34 8 4 19 31 45 64 79 71 57 15 12 43 61 57 45 29 16 9 2 11 44 58 62 60 48 37 24 5 4 16 23 30 40 48 50 40 11 6 22 28 30 25 17 10 6 1 6 22 28 35 32 25 22 15 3 2 8 12 19 20 24 31 27 7 1 6 12 15 13 11 6 4 1 1 6 14 17 18 18 15 10 2 1 2 7 9 13 18 24 20 6 0 1 4 6 5 5 2 1 1 0 1 5 7 8 8 5 4 1 0 0 3 4 6 8 9 8 3 !Region 7: Section 7->9 1 1 1 1 2 2 4 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 1 2 2 5 12 20 17 4 0 1 1 1 2 2 4 2 1 0 0 0 0 1 1 2 1 0 1 1 2 5 13 28 39 35 10 0 0 0 1 1 3 6 6 2 0 0 0 0 0 1 1 1 0 1 2 4 9 22 41 47 43 13 0 -1 -1 2 2 4 5 6 3 0 0 -1 0 1 1 0 0 0 0 3 5 10 22 38 41 38 12 0 0 0 2 2 5 7 6 2 0 0 -1 1 1 1 1 0 0 0 2 4 7 14 23 30 28 10 0 1 0 1 2 3 6 6 3 0 0 -1 1 0 0 1 1 0 0 1 3 5 6 12 18 20 8 0 0 2 0 0 1 3 5 3 0 0 0 0 -1 0 1 1 0 0 0 1 2 4 7 15 16 6 0 1 1 0 0 1 3 4 2 0 0 0 0 0 0 1 1 0 0 0 1 1 2 3 6 7 3 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 60.35 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 8 Sum = 21124.8; Maximum = 282.578; FM = 0.685 !Region 8: Section 1->3 0 1 1 0 0 0 0 0 0 1 3 2 2 1 1 1 0 0 2 6 13 16 8 4 2 1 0 1 2 1 1 1 1 0 0 0 4 7 5 4 2 1 1 0 0 5 16 28 27 14 7 3 1 0 2 2 1 1 1 1 1 0 0 5 8 5 2 1 1 1 1 0 7 22 28 25 15 8 3 2 0 2 2 1 1 1 0 1 0 0 5 8 3 2 1 1 2 1 0 10 27 34 33 19 8 4 2 1 1 1 0 0 0 0 0 0 0 3 4 2 1 0 1 1 1 0 10 30 38 33 17 8 3 1 1 1 1 1 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 9 26 30 25 13 5 2 1 0 1 1 0 1 0 0 0 0 0 1 2 1 1 1 1 0 0 0 5 14 15 12 8 3 1 1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 1 0 2 4 5 4 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 !Region 8: Section 4->6 1 8 25 32 19 12 5 1 0 1 3 12 16 16 16 14 7 1 0 0 1 3 10 19 22 14 3 5 23 50 56 39 24 11 5 1 2 10 23 35 44 50 39 23 5 0 1 3 11 41 70 66 44 12 8 34 57 63 48 28 13 6 2 4 17 32 51 69 66 47 27 7 1 3 8 27 75100 86 54 15 14 50 80 89 60 29 13 6 2 7 27 51 76 80 62 43 25 7 2 5 13 40 83 90 79 53 16 20 68 98 94 55 26 10 4 2 11 40 65 78 68 47 31 19 5 2 8 16 37 62 65 57 42 13 21 65 79 70 39 18 7 4 1 12 42 53 55 42 30 21 14 4 2 8 12 21 32 38 38 30 10 13 37 40 34 21 10 5 2 0 9 25 27 27 23 18 15 10 3 2 5 7 11 18 25 28 23 8 4 11 12 13 10 5 3 2 0 3 7 9 12 13 12 10 7 2 1 2 4 6 12 19 21 17 7 1 1 2 3 3 2 1 1 0 0 1 2 3 4 4 4 3 1 0 0 1 2 5 8 8 7 3 !Region 8: Section 7->9 0 0 0 1 4 8 10 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 16 31 32 23 8 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 10 31 48 45 31 10 0 0 1 1 1 2 4 4 2 0 0 0 0 1 0 0 0 0 1 2 4 13 35 44 43 32 11 0 1 1 1 2 4 4 4 2 0 0 1 1 1 1 1 0 1 1 2 4 12 25 32 32 26 10 0 2 1 1 2 3 4 4 3 0 1 0 0 1 1 1 0 1 1 2 3 6 13 18 21 20 8 0 1 1 0 1 2 3 4 3 0 1 1 0 0 0 1 1 1 0 1 2 3 8 12 16 16 7 0 0 0 1 1 1 2 4 2 0 0 0 0 1 0 0 1 0 0 1 2 3 5 10 12 12 6 0 0 1 1 1 1 2 3 2 0 0 0 0 0 0 0 1 1 0 0 1 1 2 4 5 5 3 0 0 1 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 I/Sigma = 129.18 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.176 Region 9 Sum = 84670.3; Maximum = 2408.3; FM = 0.95 !Region 9: Section 1->3 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 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 4 4 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 4 7 9 6 2 1 0 0 0 1 1 1 0 0 0 0 0 1 3 4 4 3 1 0 0 0 1 5 10 18 16 4 1 0 0 0 0 1 1 1 0 0 0 0 1 3 5 9 8 2 0 0 0 1 6 14 31 30 10 2 0 0 0 0 1 1 1 0 0 0 0 1 2 4 9 10 4 1 0 0 1 5 14 29 31 13 2 0 0 0 0 0 1 0 0 0 0 0 0 1 3 5 5 2 0 0 0 1 3 9 16 16 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 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 0 0 0 0 0 0 !Region 9: Section 4->6 0 1 1 2 2 1 0 0 0 0 0 1 2 4 3 2 1 0 0 0 0 1 3 3 2 1 0 0 2 4 8 8 4 1 1 0 0 1 3 8 16 13 6 2 0 0 0 1 4 13 14 8 3 0 1 3 9 20 23 10 3 1 0 0 1 6 23 44 27 10 3 0 0 1 3 15 36 28 14 4 1 1 4 15 43 54 21 4 1 0 0 2 13 55 86 46 16 4 1 0 1 7 34 58 42 21 7 1 1 6 23 66 74 36 8 1 0 0 3 23 79100 62 19 4 1 0 1 11 42 60 47 22 7 1 1 6 24 58 63 34 7 1 0 1 4 21 62 75 46 14 3 0 0 1 8 27 40 30 15 5 1 1 4 14 29 30 13 3 1 0 0 2 10 27 33 17 6 2 0 0 1 3 10 15 12 8 3 1 0 2 4 8 6 2 1 0 0 0 1 3 6 6 4 3 1 0 0 0 1 2 3 4 3 2 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 !Region 9: Section 7->9 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 2 5 7 5 2 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 1 6 15 15 9 4 1 0 0 0 1 4 6 5 3 1 0 0 0 0 1 1 1 1 0 0 0 2 12 23 22 14 6 1 0 0 1 3 6 8 6 4 1 0 0 0 0 1 2 2 1 1 0 0 3 12 21 22 15 7 2 0 0 0 2 5 7 7 5 2 0 0 0 0 1 2 2 2 1 0 0 1 6 12 14 11 6 2 0 0 0 1 3 5 5 4 1 0 0 0 0 1 1 1 1 0 0 0 1 2 4 6 6 4 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 2 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 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 ................ 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 5.3540 0.8602 16.558 127.334 Orientation ('UB') matrix: 0.1443663 0.0356714 -0.0035721 0.0290079 -0.0023978 0.0770446 0.0658487 -0.0771494 -0.0040461 A B C Alpha Beta Gamma Vol 6.2420 11.7605 13.0367 90.000 96.697 90.000 950.49 0.0004 0.0011 0.0005 0.000 0.002 0.000 0.17 Corrected for goodness of fit: 0.0011 0.0029 0.0012 0.000 0.006 0.000 0.42 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.768 95.778 24.224 Goniometer zeros (deg): 0.0000* -0.0042 0.0000* 0.0247 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7547 -0.7303 0.0644 -0.2109 -0.1880 0.8720 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.73084e+03 3.67308e+03 2.53 5 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 187 Average input ESD (pix, pix, deg): 0.14753 0.12119 0.04849 Goodness of fit: 2.94405 2.35527 2.08883 Old XYZ spot size: 1.158 1.251 2.462 New XYZ spot size: 1.504 1.679 2.629 Average missing volume: 0.035 % with too much missing I: 4.082 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 4. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:21 Current XYZ spot size: 1.504 1.679 2.629 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): 0.210 0.194 0.359 Profile convolver halfwidth: 1.00 1.00 1.63 Background pixels updated = 96.23% 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 18 0.00 0.00 3.40 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 3.40 1.000 2_0003 3 -0.07 0.03 -0.02 0.09 0.03 0.08 75131 132 0 0.76 22 2.11 3.02 3.40 1.000 3_0004 8 -0.11 -0.12 0.05 0.26 0.17 0.19 33602 62 0 0.48 26 2.69 3.51 3.18 1.000 4_0005 14 -0.07 -0.06 0.00 0.12 0.10 0.15 59572 98 0 0.79 28 2.39 3.55 2.94 1.000 5_0006 11 0.03 0.02 -0.00 0.11 0.09 0.06 62767 88 0 0.78 31 2.29 3.66 2.75 1.000 6_0007 7 -0.01 0.00 -0.00 0.12 0.06 0.14 49778 91 0 0.80 29 2.23 3.68 2.64 1.000 7_0008 9 0.03 -0.02 -0.01 0.31 0.26 0.10 17798 45 0 0.77 30 2.21 3.65 2.60 1.000 8_0009 12 -0.03 -0.07 0.00 0.15 0.10 0.07 36532 70 0 0.75 28 2.23 3.62 2.53 1.000 9_0010 10 -0.01 -0.03 -0.10 0.14 0.10 0.32 68215 92 0 0.83 27 2.22 3.59 2.64 1.000 10_0011 6 -0.03 -0.08 0.01 0.12 0.15 0.04 15166 42 0 0.67 27 2.20 3.59 2.56 1.000 11_0012 9 -0.08 -0.04 -0.02 0.13 0.12 0.03 29534 73 0 0.72 28 2.20 3.55 2.56 1.000 12_0013 10 0.08 -0.06 -0.05 0.15 0.16 0.10 24907 60 0 0.70 29 2.18 3.52 2.64 1.000 13_0014 14 0.13 -0.10 -0.04 0.38 0.32 0.11 45611 74 0 0.79 31 2.20 3.49 2.65 1.000 14_0015 10 0.06 -0.05 -0.02 0.21 0.16 0.15 14945 44 0 0.79 28 2.17 3.46 2.73 1.000 15_0016 11 0.05 0.06 -0.02 0.50 0.49 0.10 37847 66 0 0.68 28 2.17 3.46 2.72 1.000 16_0017 12 -0.01 -0.05 -0.04 0.14 0.08 0.14 50138 89 0 0.76 26 2.19 3.45 2.70 1.000 17_0018 6 0.11 -0.12 -0.03 0.35 0.28 0.07 13827 47 0 0.76 28 2.17 3.43 2.71 1.000 18_0019 7 -0.04 -0.04 0.01 0.10 0.06 0.11 17630 49 0 0.71 26 2.17 3.44 2.70 1.000 19_0020 9 0.08 -0.06 -0.02 0.12 0.09 0.07 81391 103 0 0.74 29 2.16 3.44 2.69 1.000 Background pixels updated = 96.20% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 13 0.07 -0.06 -0.03 0.15 0.09 0.09 19313 54 0 0.76 29 2.15 3.44 2.74 1.000 21_0022 11 0.12 -0.09 -0.06 0.27 0.18 0.12 27419 63 9 0.78 28 2.18 3.47 2.77 1.000 22_0023 7 0.13 0.02 0.01 0.17 0.11 0.07 71308 108 0 0.76 30 2.19 3.48 2.77 1.000 23_0024 10 -0.02 -0.07 0.14 0.13 0.12 0.62 44114 67 0 0.76 25 2.18 3.47 2.76 1.000 I/Sigma = 69.90 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.079 Region 1 Sum = 31209.5; Maximum = 566.752; FM = 0.855 !Region 1: Section 1->3 0 0 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 5 8 6 3 1 1 0 0 1 1 1 1 1 0 0 0 0 2 6 5 3 1 1 1 0 0 4 15 22 17 8 3 1 1 0 1 1 1 1 1 0 0 0 0 3 7 5 3 1 1 1 0 0 5 17 23 19 10 4 1 1 0 1 1 1 1 0 0 0 0 0 2 5 4 3 1 1 1 0 0 4 18 28 25 12 5 2 1 0 0 1 1 1 0 1 0 0 0 1 3 4 3 2 1 1 1 0 4 19 34 33 17 6 2 1 0 0 1 1 1 0 0 0 0 0 1 2 2 2 1 1 1 0 0 3 14 23 23 12 5 2 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 5 9 11 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 3 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 !Region 1: Section 4->6 1 6 12 13 10 4 2 1 0 0 2 5 9 12 8 5 2 0 0 1 1 3 7 7 6 4 1 3 15 32 33 26 12 4 2 1 1 5 14 25 35 24 12 5 1 0 2 3 9 20 23 18 9 2 3 17 35 40 29 14 6 2 1 1 6 16 31 42 33 18 7 1 1 2 4 11 27 34 28 14 3 4 26 52 62 44 21 9 3 1 2 11 30 55 69 54 30 11 2 1 2 7 22 50 63 51 23 4 5 35 73 85 60 30 12 4 1 3 18 47 81100 81 45 15 3 1 4 12 36 76 95 72 31 6 4 27 52 63 46 25 10 3 1 2 15 36 64 80 67 38 14 3 1 3 10 30 62 78 61 28 6 2 11 21 28 23 14 6 2 1 1 6 14 28 38 37 24 10 2 0 2 5 13 29 43 39 21 5 1 3 6 11 11 8 4 1 1 1 2 5 11 18 19 14 7 2 0 1 2 6 14 22 23 15 4 0 1 2 4 4 3 1 1 0 0 1 2 4 6 8 6 3 1 0 0 1 2 5 9 9 5 2 !Region 1: Section 7->9 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 8 10 7 2 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 1 2 5 12 15 10 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 13 26 29 15 3 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 21 39 38 20 4 0 0 1 1 1 3 4 4 1 0 0 0 0 0 0 1 1 1 0 1 2 5 16 31 33 19 5 0 0 1 1 1 2 4 4 2 0 0 0 0 0 0 1 1 0 0 1 1 3 8 18 22 15 4 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 1 1 1 0 1 1 2 4 9 13 12 4 0 0 0 0 1 1 2 3 2 0 0 0 0 0 0 1 1 1 0 0 0 1 1 4 5 5 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 I/Sigma = 284.10 Thresh = 0.020 Blend = F #Contributing = 53 InitialProfileWt = 0.053 Region 2 Sum = 345600; Maximum = 17744.3; FM = 0.879 !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 1 1 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 5 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 3 22 41 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 2 0 0 0 0 0 6 35 57 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 3 19 26 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 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 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 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 6 13 4 0 0 0 0 0 0 4 13 6 1 0 0 0 0 0 2 10 6 1 0 0 0 0 3 33 71 28 2 0 0 0 0 2 22 58 29 3 0 0 0 0 1 14 47 26 4 0 0 0 0 8 58100 51 4 0 0 0 0 6 47 83 46 6 0 0 0 0 3 40 69 36 7 1 0 0 0 5 33 51 18 2 0 0 0 0 4 30 49 23 4 0 0 0 0 3 25 41 22 4 1 0 0 0 1 5 7 2 0 0 0 0 0 1 5 10 5 1 0 0 0 0 1 4 10 6 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 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 !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 1 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 6 21 12 2 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 19 32 16 3 0 0 0 0 0 2 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 11 19 11 3 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 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 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 0 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 = 148.45 Thresh = 0.020 Blend = F #Contributing = 40 InitialProfileWt = 0.090 Region 3 Sum = 122856; Maximum = 6112.69; FM = 0.918 !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 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 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 5 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 12 15 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 6 16 21 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 5 10 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 4 5 2 0 0 0 0 0 1 3 5 3 1 0 0 0 0 0 1 2 2 2 1 0 0 1 3 12 17 7 1 0 0 0 0 2 10 23 13 2 0 0 0 0 1 3 12 11 3 1 0 0 1 9 32 47 21 2 0 0 0 1 6 34 71 38 5 1 0 0 0 2 15 45 31 7 1 0 0 1 13 44 60 25 2 0 0 0 1 12 61100 52 6 1 0 0 0 5 35 71 46 8 1 0 0 1 9 28 33 11 1 0 0 0 1 9 46 67 30 4 1 0 0 0 5 31 54 32 6 1 0 0 1 5 9 8 3 1 0 0 0 1 4 14 22 11 2 0 0 0 0 2 11 22 14 3 1 0 0 1 2 3 2 1 0 0 0 0 1 2 5 5 3 1 0 0 0 0 1 4 6 4 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 1 1 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 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 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 9 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 13 13 5 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 10 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 6 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.21 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 4 Sum = 16518; Maximum = 394.369; FM = 0.853 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 1 4 6 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 1 0 0 0 1 4 8 6 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 4 12 12 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 3 11 13 8 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 2 6 9 7 4 2 2 0 0 0 1 1 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 1 4 5 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 1 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 2 1 1 0 0 !Region 4: Section 4->6 0 3 10 10 6 2 0 1 0 0 3 12 16 11 4 1 1 0 0 1 3 8 7 4 2 1 0 1 8 19 21 15 4 1 1 0 0 7 20 34 30 14 4 2 1 0 2 6 15 22 18 7 3 1 1 11 31 32 20 7 3 1 0 1 10 31 43 35 19 7 2 1 1 2 6 16 21 26 17 6 1 1 15 56 67 39 15 5 2 0 1 15 56 85 61 31 13 3 1 0 3 10 27 27 27 21 8 2 1 12 52 80 59 33 10 2 0 1 12 52100 96 65 24 6 1 0 3 9 30 43 49 33 9 2 1 6 26 51 50 38 14 5 1 1 6 26 65 86 77 35 10 2 0 2 5 21 41 57 43 12 2 1 2 10 24 29 24 12 3 1 1 2 10 30 47 49 30 9 1 0 1 3 10 23 38 34 12 2 0 1 6 13 18 14 8 2 0 0 1 6 15 25 26 18 7 1 0 1 2 5 10 16 18 10 2 0 1 2 5 7 5 3 1 0 0 0 2 6 10 9 6 2 0 0 0 0 2 4 5 5 2 0 !Region 4: Section 7->9 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 2 3 8 11 6 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 0 1 0 0 1 1 2 6 17 16 7 1 0 0 0 1 1 3 3 2 0 0 0 0 0 0 1 0 0 0 0 1 2 3 4 13 17 10 2 0 0 1 1 2 3 3 3 1 0 0 0 0 1 1 0 0 0 0 1 1 3 5 18 21 8 2 0 0 1 1 1 2 3 2 0 0 0 0 0 1 1 1 0 0 0 1 2 4 5 21 26 8 1 0 0 1 2 2 2 3 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 4 14 19 7 1 0 0 0 1 1 2 2 1 0 0 1 0 0 1 0 0 1 0 0 1 1 1 2 4 9 7 2 0 0 0 0 1 0 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 0 0 0 0 0 0 0 0 1 0 0 0 0 I/Sigma = 51.58 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 5 Sum = 17065.8; Maximum = 333.825; FM = 0.787 !Region 5: Section 1->3 0 0 0 1 0 0 -1 0 0 0 0 0 1 0 0 -1 0 0 0 2 3 2 2 1 0 0 0 0 1 0 0 0 0 -1 0 0 1 2 1 1 0 0 0 0 0 1 5 6 5 4 2 1 0 1 0 0 0 0 0 -1 0 0 0 1 1 1 1 0 0 1 1 0 1 5 8 7 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 7 14 13 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 0 1 7 16 17 13 7 4 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 4 9 12 10 7 4 2 0 0 0 0 0 0 0 0 -1 0 1 1 0 0 1 1 0 0 0 1 2 4 7 6 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 2 3 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 1 0 0 !Region 5: Section 4->6 1 7 13 12 8 3 1 1 0 0 5 14 14 10 5 2 1 0 0 1 4 8 13 9 5 2 0 2 16 28 25 18 9 3 1 1 1 14 28 27 23 15 7 3 1 0 3 9 13 25 28 18 8 3 3 23 39 35 24 12 4 2 1 3 21 40 35 27 19 9 4 1 1 5 10 10 15 26 21 11 2 4 40 81 74 53 25 10 3 1 3 37 81 75 56 35 16 6 1 1 7 16 18 21 33 27 14 3 3 35 89 99 76 48 20 6 1 2 31 86100 83 64 35 13 2 1 6 17 23 30 56 58 25 5 2 15 50 71 62 46 25 8 1 1 13 46 70 67 60 42 17 3 0 3 9 16 23 47 62 33 5 1 5 19 34 32 27 18 7 1 1 5 17 32 34 33 28 13 2 1 2 3 6 10 22 36 24 5 1 3 9 17 20 17 12 5 0 1 3 8 15 20 18 15 7 1 1 1 1 3 5 8 12 10 3 1 1 3 5 8 6 4 1 0 0 1 2 5 8 6 5 1 0 0 0 1 1 2 3 3 2 1 !Region 5: Section 7->9 0 0 1 5 9 7 5 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 16 22 17 9 3 0 0 1 0 1 4 4 2 1 0 -1 -1 -1 0 1 1 0 0 0 1 3 3 7 19 18 12 2 0 0 1 0 0 3 3 3 0 0 0 0 -1 0 1 0 0 0 0 2 2 3 7 20 21 14 3 0 1 0 0 1 2 3 3 1 0 0 0 0 1 1 0 0 0 0 1 2 4 9 33 43 22 4 0 0 1 1 1 4 6 4 1 0 0 0 0 0 1 2 0 0 1 1 2 4 7 28 45 25 5 0 0 1 1 1 3 6 4 1 0 -1 0 0 0 1 1 0 0 0 1 1 1 3 12 25 18 5 0 1 1 0 1 2 3 3 1 0 0 0 0 0 0 0 1 0 1 1 0 1 1 4 7 8 3 0 0 0 0 0 1 1 2 1 0 0 -1 -1 0 0 0 1 0 0 0 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.03517; Maximum = 0.01783; FM = 0.844 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 5 5 4 3 1 0 0 0 1 1 1 0 0 0 0 0 2 5 4 3 2 1 1 0 0 3 11 15 13 9 5 2 1 0 1 1 1 0 0 0 1 1 0 3 6 5 3 1 1 1 1 0 4 12 16 13 8 4 3 2 1 0 0 0 0 0 0 1 0 0 2 3 2 1 1 1 1 1 0 3 12 18 18 12 6 3 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 2 1 0 3 12 21 22 16 8 4 2 1 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 0 2 8 14 17 12 7 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 3 6 8 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 2 3 4 4 4 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 1 1 0 !Region 6: Section 4->6 1 5 12 15 13 8 3 1 0 0 3 9 12 13 9 5 1 0 0 1 2 5 9 8 5 2 0 3 15 30 34 28 17 8 3 1 1 10 21 27 30 22 13 6 1 0 2 6 9 20 22 17 10 3 4 21 37 38 30 18 9 5 2 2 15 28 34 34 29 19 10 3 0 4 7 10 18 30 28 18 5 5 32 65 68 54 30 14 6 2 3 25 58 69 68 54 33 16 4 1 5 13 22 38 55 49 29 8 5 37 83 95 75 45 19 7 2 3 29 77100 95 76 45 20 5 1 7 20 34 53 78 70 38 9 4 25 56 71 57 38 18 7 1 3 21 52 73 72 60 39 18 4 1 6 15 25 40 58 60 36 8 2 10 22 33 29 21 13 5 1 2 10 21 33 35 32 25 12 3 1 3 6 12 18 28 36 24 6 1 4 8 15 16 13 8 4 1 1 3 8 15 19 18 14 7 2 1 2 3 6 9 15 18 14 4 0 1 2 5 6 4 3 1 0 0 1 3 6 7 6 5 2 0 0 0 1 3 4 5 6 5 2 !Region 6: Section 7->9 0 0 1 2 5 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 14 12 8 3 0 0 1 1 1 3 3 2 1 0 0 0 0 0 1 1 0 0 0 1 2 3 6 16 18 14 4 0 0 1 0 1 2 3 3 1 0 0 0 0 0 1 0 0 0 0 2 2 4 11 26 30 20 6 0 1 0 1 1 3 4 3 1 0 1 0 0 0 1 0 0 0 0 1 3 6 17 39 44 27 7 0 0 0 1 2 4 6 4 2 0 0 0 0 0 1 1 0 0 0 1 3 5 13 30 40 27 7 0 0 1 1 2 4 6 5 2 0 0 0 0 0 1 1 0 0 0 1 2 3 5 14 23 19 6 0 0 1 1 1 2 3 4 2 0 0 0 0 0 0 1 1 0 0 1 0 2 3 7 12 12 4 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 4 5 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 45.42 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 12459.2; Maximum = 200.593; FM = 0.84 !Region 7: Section 1->3 0 0 0 0 0 1 1 0 0 1 2 2 1 1 1 1 0 0 1 4 7 8 7 6 2 0 0 0 1 1 1 1 1 1 0 0 3 8 8 5 3 3 1 1 0 5 15 23 20 15 10 4 2 0 1 2 1 1 0 1 1 1 1 5 10 8 5 2 2 2 2 1 7 18 21 18 12 7 4 3 1 1 1 0 -1 0 0 1 0 0 3 5 3 2 0 0 1 1 0 6 15 18 19 13 7 3 1 0 0 0 -1 -1 0 1 1 1 0 1 2 1 0 2 2 2 1 1 5 15 22 23 17 9 4 2 1 0 0 0 0 0 0 1 1 0 1 1 0 2 2 1 1 2 1 3 11 17 18 13 7 3 3 1 0 0 -1 1 0 1 1 0 0 0 0 0 2 1 2 1 1 0 1 4 7 9 7 5 3 2 0 0 -1 0 0 0 0 0 0 0 0 -1 1 1 1 1 0 0 0 0 2 3 4 4 4 2 2 1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 !Region 7: Section 4->6 1 3 9 17 18 15 6 1 0 0 1 4 9 16 14 7 2 0 0 0 1 1 5 6 4 1 0 3 13 30 40 38 27 14 5 1 1 5 13 24 33 28 19 9 2 0 1 3 5 11 13 13 11 3 5 19 31 38 34 25 16 8 2 2 9 16 29 37 38 31 18 5 0 2 4 8 17 30 33 27 9 5 23 43 57 53 37 19 9 3 2 13 34 60 76 71 52 30 8 1 4 10 25 49 73 71 48 14 8 38 70 86 70 41 19 9 3 5 28 69 97100 81 54 30 8 2 9 24 43 70 91 78 51 14 7 33 59 66 49 28 12 7 2 5 30 61 72 70 53 33 20 5 1 9 22 33 49 59 53 39 11 4 15 25 29 24 14 8 3 1 3 16 26 34 32 24 19 10 3 1 5 9 17 21 28 31 23 8 1 4 7 13 11 9 4 4 2 1 4 9 15 16 15 11 7 2 0 2 4 9 12 19 21 17 5 0 1 2 4 5 3 2 2 0 0 0 3 6 6 5 4 3 1 0 0 2 4 5 7 8 8 3 !Region 7: Section 7->9 0 0 0 0 1 2 1 0 0 0 0 0 -1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 4 5 6 2 0 0 2 1 0 2 2 1 0 0 0 1 1 0 1 1 0 0 0 1 2 2 5 11 16 16 6 0 1 1 1 1 2 3 2 1 0 1 1 0 0 1 1 0 0 0 2 1 5 14 32 38 28 9 0 2 0 1 1 3 5 4 2 0 1 0 0 0 1 1 0 0 1 1 3 9 22 43 43 34 11 0 -1 0 2 2 4 5 5 3 0 0 0 1 1 1 0 0 0 0 1 3 7 17 29 33 29 10 0 0 0 1 3 4 6 6 3 0 0 0 0 1 0 1 1 0 0 0 2 4 6 14 20 21 8 0 0 1 1 0 1 4 5 3 0 0 0 0 -1 0 1 0 0 0 0 1 2 4 9 15 16 6 0 0 0 0 0 1 4 4 2 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 7 8 3 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 63.80 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 8 Sum = 25384.9; Maximum = 481.471; FM = 0.798 !Region 8: Section 1->3 0 1 0 1 0 0 0 0 0 1 1 1 2 1 0 0 0 0 0 1 3 7 5 2 1 0 0 0 1 1 1 0 0 1 0 0 2 4 3 3 1 1 1 1 1 1 5 10 20 13 6 2 1 0 1 1 1 1 1 0 0 0 0 2 6 5 3 2 1 1 0 0 2 10 18 24 13 5 2 1 0 1 2 1 1 1 0 0 0 0 3 8 6 3 1 1 1 0 0 4 15 23 23 14 6 2 1 0 1 2 1 0 0 0 0 0 0 3 8 4 2 1 1 1 1 1 4 17 28 28 16 6 2 1 1 1 1 0 0 0 0 0 0 0 3 5 2 1 1 0 0 0 1 3 14 24 22 12 4 1 1 1 0 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 1 0 1 6 10 9 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 3 3 2 1 1 1 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 !Region 8: Section 4->6 0 1 4 15 15 8 3 0 0 0 1 2 8 10 8 5 1 0 0 1 1 1 2 4 6 2 0 1 4 19 48 37 18 6 2 0 0 2 10 26 26 22 15 6 1 0 1 1 3 9 20 25 12 2 2 9 34 56 39 20 7 3 1 1 4 17 34 43 44 29 12 2 0 1 2 8 37 67 55 26 5 3 18 50 66 51 23 8 3 1 1 9 29 53 71 60 34 13 2 0 2 6 23 75100 72 32 6 4 31 77 92 58 23 8 3 1 2 18 52 78 75 50 28 12 3 1 3 10 31 70 78 60 30 6 4 35 73 74 42 16 5 2 1 2 23 53 61 47 29 17 8 2 0 4 11 20 36 43 38 22 6 2 17 32 29 19 7 3 1 0 2 13 24 24 21 16 11 5 1 0 3 5 8 16 25 25 15 5 0 4 6 7 7 4 2 1 1 1 3 5 7 9 9 7 4 1 0 1 2 4 10 17 16 11 3 0 1 1 1 2 1 1 0 0 0 0 1 1 3 3 3 1 0 0 0 0 1 4 7 6 4 1 !Region 8: Section 7->9 0 0 1 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 1 1 3 8 11 6 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 15 30 28 16 4 0 0 0 0 1 1 2 3 2 0 0 0 0 0 0 0 1 1 0 1 2 8 31 48 40 20 5 0 0 1 1 1 2 3 3 2 0 0 0 1 0 1 0 1 1 0 1 3 9 29 39 34 21 5 0 0 1 1 1 3 3 4 2 0 0 1 0 0 1 0 1 1 0 1 2 5 14 21 23 17 5 0 0 1 0 1 2 3 5 3 0 0 1 0 0 0 1 2 1 0 1 1 3 7 13 16 13 5 0 0 0 1 1 1 2 5 3 0 0 0 0 0 0 1 1 1 0 0 1 2 5 9 11 10 4 0 0 1 2 1 1 2 5 3 0 0 0 1 0 0 0 2 1 0 0 0 1 2 4 4 4 1 0 0 0 1 1 0 1 2 2 0 0 0 1 0 0 0 1 1 I/Sigma = 127.73 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.176 Region 9 Sum = 88537.9; Maximum = 3959.52; FM = 0.917 !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 1 1 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 1 1 1 0 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 6 12 10 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 3 6 5 1 0 0 0 0 2 9 24 26 6 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 5 6 2 0 0 0 0 2 8 21 24 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 1 3 8 7 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 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 !Region 9: Section 4->6 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 3 3 1 0 0 0 0 0 1 3 6 4 2 0 0 0 0 0 1 4 5 2 1 0 0 1 4 10 11 4 1 0 0 0 0 2 10 23 14 4 1 0 0 0 1 6 19 17 6 1 0 0 2 8 30 40 12 2 0 0 0 1 5 37 72 32 7 1 0 0 0 2 23 51 34 11 2 0 0 2 13 56 70 24 3 0 0 0 1 11 68100 48 9 1 0 0 0 5 35 61 41 13 3 0 0 2 13 45 52 19 2 0 0 0 1 10 48 64 29 6 1 0 0 1 3 19 32 21 8 2 0 0 1 6 15 14 4 1 0 0 0 1 4 13 15 7 3 1 0 0 0 1 4 7 6 4 1 0 0 0 1 2 1 1 0 0 0 0 0 1 1 2 2 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 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 9 4 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 1 8 20 18 9 3 1 0 0 0 2 6 7 5 3 1 0 0 0 0 1 2 1 1 0 0 0 1 9 21 20 11 4 1 0 0 0 2 5 7 6 3 1 0 0 0 0 1 1 1 1 0 0 0 1 4 9 11 7 3 1 0 0 0 0 2 4 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 3 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (200 input reflections)... 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) 200 0 200 5.3529 0.8601 16.561 127.356 Orientation ('UB') matrix: 0.1443435 0.0357210 -0.0035048 0.0289945 -0.0024602 0.0770464 0.0659102 -0.0771468 -0.0040798 A B C Alpha Beta Gamma Vol 6.2423 11.7577 13.0374 90.000 96.726 90.000 950.30 0.0005 0.0012 0.0005 0.000 0.002 0.000 0.17 Corrected for goodness of fit: 0.0010 0.0027 0.0011 0.000 0.005 0.000 0.39 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.743 95.818 24.250 Goniometer zeros (deg): 0.0000* -0.0674 0.0000* 0.0248 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7451 -0.5075 0.0666 -0.1539 -0.1966 0.8610 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.76520e+03 2.92071e+03 2.25 25 1 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 200 200 190 Average input ESD (pix, pix, deg): 0.16489 0.13625 0.04764 Goodness of fit: 2.81205 1.76474 1.94169 Old XYZ spot size: 1.504 1.679 2.629 New XYZ spot size: 1.667 2.153 2.763 Average missing volume: 0.036 % with too much missing I: 4.082 Fractional overlap in H,K,L: 0.000 0.000 0.000 WARNING: Spot refinement did not fully converge. For best results you can try re-starting with the last determined XYZ values: 1.667 2.153 2.763 Integration ============================= 10/26/2021 10:24:22 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): 1.667 2.153 2.763 Spot size used (deg): 1.667 2.153 2.763 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 17 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): 0.233 0.249 0.371 Profile convolver halfwidth: 1.00 1.00 1.58 Background pixels updated = 95.86% 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 18 0.00 0.00 2.76 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.76 1.000 2_0003 2 -0.13 0.08 -0.05 0.13 0.09 0.05 69975 106 0 0.74 22 2.00 4.02 2.76 1.000 3_0004 8 -0.00 0.01 0.00 0.19 0.11 0.10 35301 67 0 0.78 27 2.37 4.05 2.75 1.000 4_0005 14 -0.08 -0.02 -0.00 0.12 0.05 0.12 51087 100 0 0.81 30 2.05 3.87 2.73 1.000 5_0006 11 0.01 0.06 0.01 0.10 0.09 0.06 53570 92 0 0.82 31 1.96 3.95 2.73 1.000 6_0007 8 -0.03 0.01 0.00 0.10 0.09 0.12 36975 83 0 0.81 31 1.90 3.89 2.71 1.000 7_0008 8 0.06 0.00 -0.01 0.17 0.15 0.11 19696 50 0 0.84 32 1.96 3.92 2.70 1.000 8_0009 12 -0.01 -0.02 -0.01 0.16 0.04 0.08 32748 71 0 0.78 28 1.98 3.91 2.69 1.000 9_0010 10 0.02 0.04 -0.05 0.22 0.15 0.20 50784 95 0 0.83 27 1.96 3.86 2.72 1.000 10_0011 6 -0.05 -0.06 0.01 0.10 0.13 0.03 15354 43 0 0.72 27 1.94 3.84 2.70 1.000 11_0012 9 -0.05 0.00 -0.01 0.11 0.07 0.03 25391 74 0 0.75 28 1.92 3.78 2.69 1.000 12_0013 10 0.07 -0.02 -0.03 0.14 0.13 0.10 25748 61 0 0.72 30 1.92 3.74 2.72 1.000 13_0014 14 0.12 -0.08 -0.02 0.32 0.24 0.09 30851 75 0 0.81 31 1.93 3.68 2.72 1.000 14_0015 10 0.04 -0.01 -0.01 0.20 0.15 0.12 12223 45 0 0.81 28 1.90 3.64 2.75 1.000 15_0016 11 -0.03 -0.00 -0.00 0.30 0.20 0.06 34821 67 0 0.71 28 1.91 3.64 2.75 1.000 16_0017 12 0.03 -0.00 -0.05 0.19 0.05 0.12 44194 90 0 0.78 27 1.91 3.64 2.74 1.000 17_0018 6 0.13 -0.09 -0.03 0.36 0.26 0.07 14105 48 0 0.78 28 1.91 3.62 2.75 1.000 18_0019 7 -0.02 0.05 -0.00 0.13 0.08 0.11 18795 50 0 0.73 26 1.90 3.62 2.75 1.000 19_0020 8 0.11 -0.02 -0.03 0.16 0.10 0.08 65708 113 0 0.78 29 1.90 3.61 2.74 1.000 Background pixels updated = 95.84% 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 14 0.06 -0.00 -0.02 0.14 0.09 0.09 17590 54 0 0.76 30 1.89 3.60 2.77 1.000 21_0022 11 0.12 -0.06 -0.04 0.25 0.10 0.12 27829 64 0 0.79 30 1.92 3.64 2.78 1.000 22_0023 7 0.14 0.03 0.00 0.19 0.11 0.07 59886 110 0 0.78 31 1.92 3.65 2.78 1.000 23_0024 10 0.02 -0.03 0.17 0.16 0.08 0.62 38620 69 0 0.78 25 1.91 3.62 2.78 1.000 24_0025 11 0.29 -0.08 -0.35 0.63 0.18 1.09 35220 64 0 0.73 27 1.91 3.59 2.78 1.000 25_0026 7 0.11 -0.03 0.03 0.27 0.24 0.11 29252 69 0 0.78 29 1.91 3.60 2.80 1.000 26_0027 6 0.08 -0.04 0.04 0.14 0.07 0.16 17847 46 0 0.73 27 1.91 3.59 2.80 1.000 27_0028 14 -0.01 0.03 -0.01 0.20 0.14 0.07 55035 100 0 0.74 29 1.90 3.54 2.80 1.000 28_0029 12 0.11 -0.13 -0.05 0.39 0.29 0.13 23278 65 0 0.82 31 1.89 3.52 2.82 1.000 29_0030 9 0.04 -0.05 0.02 0.18 0.16 0.27 17237 51 0 0.79 29 1.88 3.49 2.81 1.000 30_0031 9 0.09 -0.13 -0.05 0.29 0.37 0.11 32333 71 0 0.82 31 1.89 3.48 2.81 1.000 31_0032 11 0.05 0.01 0.06 0.24 0.14 0.17 18343 48 0 0.73 27 1.89 3.45 2.81 1.000 32_0033 8 0.02 -0.03 0.01 0.09 0.09 0.06 38684 91 0 0.79 31 1.89 3.44 2.81 1.000 33_0034 5 0.08 0.00 -0.02 0.13 0.05 0.06 50940 114 0 0.80 33 1.89 3.44 2.81 1.000 34_0035 11 0.04 -0.03 -0.08 0.16 0.06 0.14 73453 100 0 0.68 28 1.89 3.39 2.83 1.000 35_0036 15 0.02 -0.03 0.01 0.13 0.12 0.07 53981 101 0 0.71 28 1.88 3.36 2.84 1.000 36_0037 12 0.09 -0.06 0.02 0.23 0.17 0.09 26044 73 0 0.83 31 1.89 3.36 2.86 1.000 37_0038 8 0.00 -0.02 0.01 0.06 0.08 0.07 50160 85 0 0.63 28 1.89 3.35 2.86 1.000 38_0039 12 0.28 0.00 -0.07 0.64 0.41 0.14 46248 90 0 0.73 29 1.89 3.31 2.86 1.000 39_0040 6 -0.19 0.03 -0.01 0.48 0.06 0.14 12255 32 33 0.61 24 1.89 3.31 2.89 1.000 Background pixels updated = 95.76% 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 8 0.11 0.02 -0.03 0.24 0.07 0.21 20226 45 13 0.73 27 1.88 3.29 2.89 1.000 41_0042 9 -0.03 -0.01 -0.00 0.07 0.09 0.04 32726 71 0 0.75 33 1.88 3.27 2.88 1.000 42_0043 12 -0.12 -0.11 0.06 0.21 0.21 0.10 18173 48 0 0.76 26 1.87 3.23 2.88 1.000 43_0044 9 0.09 -0.03 -0.03 0.14 0.06 0.15 21758 50 0 0.74 27 1.87 3.22 2.88 1.000 44_0045 9 0.13 0.08 -0.03 0.45 0.38 0.09 14155 40 0 0.77 30 1.88 3.22 2.88 1.000 45_0046 8 -0.02 -0.06 -0.02 0.11 0.09 0.03 37036 77 0 0.74 28 1.88 3.20 2.88 1.000 46_0047 3 -0.04 -0.16 -0.09 0.13 0.20 0.11 33340 76 0 0.72 29 1.88 3.20 2.89 1.000 47_0048 16 0.02 -0.04 -0.01 0.15 0.11 0.11 21341 51 0 0.73 28 1.88 3.17 2.89 1.000 48_0049 5 -0.09 -0.07 0.02 0.14 0.09 0.03 72850 119 0 0.75 29 1.88 3.16 2.88 1.000 49_0050 11 -0.02 -0.11 0.01 0.11 0.14 0.04 15579 49 0 0.75 30 1.88 3.13 2.89 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 (427 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) 427 0 427 5.8840 0.8606 15.057 127.234 Orientation ('UB') matrix: 0.1442079 0.0357161 -0.0035078 0.0290216 -0.0024872 0.0770064 0.0658969 -0.0770653 -0.0041110 A B C Alpha Beta Gamma Vol 6.2471 11.7681 13.0439 90.000 96.730 90.000 952.33 0.0003 0.0005 0.0004 0.000 0.002 0.000 0.10 Corrected for goodness of fit: 0.0007 0.0010 0.0008 0.000 0.004 0.000 0.21 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.750 95.847 24.266 Goniometer zeros (deg): 0.0000* -0.0444 0.0000* 0.0264 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.3004 -0.5056 0.0746 -0.1652 -0.1961 0.8091 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.47552e+03 5.50419e+03 2.09 17 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 427 427 418 Average input ESD (pix, pix, deg): 0.19299 0.16131 0.05261 Goodness of fit: 2.62585 1.74465 1.73638 Background pixels updated = 95.92% 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 -0.00 -0.14 -0.03 0.22 0.22 0.08 29018 70 0 0.80 30 1.88 3.11 2.89 1.000 51_0052 10 -0.04 0.01 -0.02 0.26 0.15 0.06 49252 96 0 0.80 29 1.90 3.11 2.89 1.000 52_0053 14 -0.02 -0.06 0.00 0.13 0.09 0.07 88353 142 0 0.79 30 1.90 3.09 2.89 1.000 53_0054 12 -0.02 -0.09 -0.01 0.11 0.10 0.07 42418 92 0 0.75 31 1.90 3.08 2.90 1.000 54_0055 11 0.04 0.00 -0.02 0.14 0.18 0.07 41263 72 0 0.77 29 1.91 3.07 2.89 1.000 55_0056 5 -0.11 -0.08 -0.09 0.29 0.10 0.16 8940.7 24 0 0.67 23 1.91 3.07 2.90 1.000 56_0057 9 0.02 -0.07 0.01 0.17 0.10 0.19 21007 50 0 0.69 27 1.91 3.05 2.89 1.000 57_0058 8 0.07 -0.05 0.01 0.16 0.09 0.14 18350 46 0 0.76 31 1.92 3.06 2.90 1.000 58_0059 10 -0.05 -0.06 0.02 0.10 0.09 0.11 44645 90 0 0.76 29 1.91 3.05 2.89 1.000 59_0060 11 0.46 0.28 -0.07 1.53 1.25 0.19 11044 42 9 0.72 28 1.92 3.03 2.90 1.000 Background pixels updated = 96.15% 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 -0.07 -0.09 0.00 0.13 0.11 0.07 37071 77 0 0.79 30 1.92 3.03 2.89 1.000 61_0062 12 -0.07 -0.01 0.01 0.33 0.20 0.13 33415 74 0 0.77 29 1.92 3.01 2.90 1.000 62_0063 8 -0.09 -0.10 -0.01 0.10 0.11 0.07 54798 100 0 0.72 28 1.92 3.00 2.90 1.000 63_0064 15 0.09 0.08 -0.05 0.41 0.75 0.17 35904 71 7 0.80 30 1.92 2.99 2.90 1.000 64_0065 11 -0.06 -0.14 0.02 0.14 0.17 0.09 33453 79 0 0.80 28 1.92 2.98 2.90 1.000 65_0066 7 0.09 -0.25 -0.05 0.36 0.36 0.11 61624 111 0 0.82 31 1.92 2.96 2.89 1.000 66_0067 9 -0.06 -0.15 -0.04 0.23 0.21 0.11 15003 40 11 0.70 30 1.92 2.95 2.89 1.000 67_0068 3 -0.18 -0.11 0.03 0.18 0.12 0.05 51888 91 0 0.63 30 1.92 2.95 2.89 1.000 68_0069 14 0.03 -0.11 -0.03 0.34 0.25 0.09 36064 73 0 0.76 31 1.93 2.94 2.89 1.000 69_0070 12 -0.03 -0.14 -0.05 0.14 0.18 0.09 17082 49 0 0.78 29 1.93 2.92 2.88 1.000 70_0071 11 -0.17 -0.19 0.29 0.27 0.24 0.95 50449 90 0 0.76 30 1.93 2.92 2.87 1.000 71_0072 6 0.14 0.01 -0.22 0.25 0.27 0.29 17214 36 0 0.79 27 1.93 2.91 2.87 1.000 72_0073 11 -0.17 -0.01 0.08 0.22 0.38 0.15 64768 108 0 0.78 29 1.93 2.90 2.87 1.000 73_0074 13 -0.13 -0.17 0.02 0.26 0.19 0.10 42087 74 0 0.74 28 1.94 2.89 2.87 1.000 74_0075 10 0.12 -0.21 -0.06 0.42 0.29 0.16 28316 60 10 0.69 29 1.94 2.88 2.86 1.000 75_0076 7 -0.07 -0.10 0.03 0.25 0.20 0.07 34071 72 0 0.80 33 1.95 2.88 2.86 1.000 76_0077 9 -0.08 -0.20 -0.03 0.16 0.25 0.12 86797 139 0 0.81 28 1.95 2.88 2.86 1.000 77_0078 10 -0.00 -0.13 -0.02 0.27 0.15 0.05 43189 95 0 0.78 34 1.95 2.87 2.85 1.000 78_0079 12 -0.07 -0.17 -0.23 0.27 0.21 0.83 34293 72 8 0.70 29 1.95 2.87 2.84 1.000 79_0080 9 -0.08 -0.09 -0.00 0.26 0.28 0.07 49816 84 0 0.72 28 1.95 2.86 2.84 1.000 Background pixels updated = 95.87% 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 10 0.01 -0.42 -0.11 0.34 0.58 0.16 20093 51 0 0.79 28 1.96 2.85 2.84 1.000 81_0082 8 -0.11 -0.13 0.03 0.15 0.13 0.09 30284 66 0 0.76 27 1.95 2.85 2.83 1.000 82_0083 10 -0.01 -0.17 -0.00 0.34 0.19 0.06 34273 69 0 0.79 33 1.95 2.84 2.83 1.000 83_0084 10 -0.16 -0.21 0.00 0.25 0.29 0.07 32325 76 0 0.79 31 1.97 2.85 2.82 1.000 84_0085 10 -0.06 -0.12 0.08 0.22 0.16 0.22 12174 37 10 0.75 27 1.96 2.83 2.82 1.000 85_0086 8 0.03 -0.24 0.03 0.14 0.26 0.06 29206 66 0 0.79 31 1.96 2.83 2.82 1.000 86_0087 5 -0.19 -0.13 -0.04 0.19 0.13 0.13 55134 91 0 0.60 26 1.96 2.83 2.81 1.000 87_0088 13 -0.14 -0.21 0.02 0.23 0.28 0.12 81267 111 0 0.79 30 1.97 2.83 2.81 1.000 88_0089 9 -0.07 -0.30 -0.00 0.33 0.42 0.08 25909 61 0 0.72 28 1.98 2.83 2.80 1.000 89_0090 3 -0.05 -0.09 0.15 0.19 0.10 0.17 76067 188 0 0.76 25 1.98 2.83 2.79 1.000 90_0091 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 1.98 2.83 2.79 1.000 91_0092 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 1.98 2.83 2.79 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_10_0092.sfrm I/Sigma = 81.21 Thresh = 0.020 Blend = F #Contributing = 224 InitialProfileWt = 0.000 Region 1 Sum = 42373.3; Maximum = 1400.36; FM = 0.846 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 2 4 4 2 1 1 0 0 0 0 0 1 1 0 0 0 1 2 2 2 2 1 1 1 0 2 6 12 20 14 5 2 1 0 0 1 1 0 0 0 0 0 0 2 4 4 4 2 1 1 1 0 4 15 24 30 19 6 2 2 1 0 1 1 0 0 1 1 0 0 2 4 3 2 1 1 1 1 0 4 12 15 13 7 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 3 3 3 2 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 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 1 1 2 2 2 1 1 0 0 1 1 2 3 3 2 2 0 0 0 1 1 2 3 3 2 1 1 2 6 15 13 8 4 2 1 1 2 6 15 17 16 11 6 1 0 1 2 5 9 15 16 9 2 2 11 32 68 63 33 13 4 1 1 7 26 64 82 73 45 17 3 0 2 6 18 38 61 54 23 4 4 21 55 89 78 39 16 5 1 2 11 39 79100 83 50 17 2 1 3 9 25 50 69 57 21 3 3 15 29 35 25 13 6 2 1 1 6 19 30 34 26 15 6 1 0 1 4 10 19 23 18 7 1 1 4 5 5 4 3 2 1 1 1 2 3 4 4 4 3 2 1 0 1 1 2 3 3 3 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: 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 0 1 1 2 2 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 3 6 8 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 1 1 3 7 17 22 11 3 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 1 0 0 1 2 4 10 20 23 10 2 0 0 1 1 1 2 3 3 1 0 0 0 0 0 0 0 1 0 0 1 1 2 5 8 8 4 1 0 0 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 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 0 0 0 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 = 275.58 Thresh = 0.020 Blend = F #Contributing = 270 InitialProfileWt = 0.000 Region 2 Sum = 323570; Maximum = 25271; FM = 0.824 !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 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 1 1 0 0 0 0 0 0 1 7 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 3 17 38 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 9 17 6 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 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 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 4 2 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 2 5 4 1 0 0 0 0 2 19 47 16 1 0 0 0 0 1 16 43 22 4 0 0 0 0 1 12 32 18 4 1 0 0 0 5 41100 46 2 0 0 0 0 3 32 79 44 6 1 0 0 0 1 25 52 29 6 1 0 0 0 3 19 43 14 1 0 0 0 0 1 13 33 15 2 0 0 0 0 0 7 19 10 2 0 0 0 0 0 2 3 1 0 0 0 0 0 0 1 2 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 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 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 2 4 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 18 8 2 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 17 29 10 2 0 0 0 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 10 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 170.16 Thresh = 0.020 Blend = F #Contributing = 185 InitialProfileWt = 0.000 Region 3 Sum = 171983; Maximum = 13108; FM = 0.854 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 5 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 5 7 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 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 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 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 6 9 5 1 0 0 0 0 2 7 13 8 2 0 0 0 0 1 2 5 4 1 0 0 0 1 4 20 34 18 3 0 0 0 1 5 30 64 35 6 1 0 0 0 2 14 36 20 4 1 0 0 1 4 22 39 23 4 1 0 0 0 5 48100 61 11 1 0 0 0 3 31 71 45 8 1 0 0 0 1 7 13 8 2 1 0 0 0 2 22 48 30 6 1 0 0 0 1 17 41 28 5 1 0 0 0 0 1 1 1 1 0 0 0 0 0 2 6 4 1 0 0 0 0 0 2 7 5 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 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 4 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 8 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 8 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 2 3 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 I/Sigma = 64.10 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.006 Region 4 Sum = 30985.4; Maximum = 1177.98; FM = 0.88 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 5 7 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 4 9 13 9 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 3 7 9 7 3 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 3 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 1 1 0 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 4: Section 4->6 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 4 7 5 2 1 1 0 0 1 4 7 5 3 2 1 0 0 0 1 2 2 2 1 1 0 1 5 18 35 23 6 2 1 0 0 4 17 36 27 9 3 2 0 0 1 4 9 9 6 3 2 0 1 10 37 72 60 24 6 2 0 1 9 38 85 87 43 12 3 1 0 2 9 25 38 28 10 3 1 1 7 27 51 52 30 11 3 1 1 6 30 72100 76 29 7 1 0 2 9 30 67 68 30 7 1 0 2 8 15 18 13 6 3 1 0 2 9 26 48 47 22 6 1 0 1 3 15 45 58 28 7 1 0 1 2 3 4 3 2 1 0 0 1 2 5 11 13 7 2 1 0 1 1 4 13 19 11 3 1 0 1 1 2 2 1 1 1 0 0 0 1 2 3 3 2 1 0 0 0 1 2 2 3 3 2 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 !Region 4: Section 7->9 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 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 8 5 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 4 15 21 15 5 2 0 0 1 1 1 2 3 2 1 0 0 0 0 0 1 0 0 0 0 1 1 3 12 20 14 5 1 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 1 0 0 0 1 1 2 4 8 6 3 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 2 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 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 67.33 Thresh = 0.020 Blend = F #Contributing = 19 InitialProfileWt = 0.079 Region 5 Sum = 30745.6; Maximum = 779.37; FM = 0.852 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 3 3 2 2 1 0 1 0 1 1 1 1 0 0 0 0 1 1 1 2 2 0 0 1 0 2 5 8 11 6 3 1 1 0 0 0 0 0 1 0 0 0 0 0 1 2 3 2 1 1 1 0 2 10 22 27 17 7 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 2 9 19 21 15 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 3 7 8 6 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 2 4 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 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 5: Section 4->6 0 1 4 3 2 1 1 0 0 0 1 4 4 2 2 1 1 0 0 0 1 2 3 2 1 1 0 1 7 12 11 7 4 2 1 1 1 6 12 12 9 6 3 2 0 0 2 4 8 10 9 5 3 1 3 13 26 28 18 9 3 2 1 1 10 21 25 24 15 7 4 1 0 3 6 12 20 19 13 6 1 5 29 69 74 53 26 9 4 1 3 20 51 63 67 52 30 12 2 1 5 12 27 49 64 45 18 3 5 27 64 71 57 37 16 6 1 3 19 51 72 82 84 59 22 3 1 4 14 33 64100 89 32 5 1 8 24 34 30 22 12 4 1 1 7 21 37 46 48 37 14 2 1 2 6 16 34 53 54 22 3 1 2 7 13 13 11 6 3 1 1 2 6 12 16 16 14 6 2 0 1 2 4 8 14 17 10 3 0 1 3 7 8 7 4 2 0 0 1 3 6 8 8 7 4 1 0 0 2 2 4 5 6 5 1 0 1 1 3 4 3 2 1 0 0 0 1 2 3 3 2 1 0 0 0 1 1 1 2 2 1 0 !Region 5: Section 7->9 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 4 2 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 6 9 8 4 1 0 1 0 1 1 2 2 2 1 0 0 0 0 0 1 0 0 0 0 2 2 5 10 20 17 8 2 0 1 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 6 15 31 33 13 3 0 1 1 2 2 3 4 3 1 0 0 0 0 0 1 1 0 0 0 1 2 3 9 19 24 12 2 0 0 1 1 1 3 4 3 1 0 0 0 0 0 1 1 0 0 0 1 1 1 3 6 8 6 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 3 3 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.08601; Maximum = 0.0288538; FM = 0.883 !Region 6: Section 1->3 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 1 1 1 1 1 1 1 0 0 1 3 3 3 3 2 1 1 0 0 1 0 1 0 0 0 0 0 1 2 2 2 1 1 1 1 0 2 5 8 8 6 3 2 1 1 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 1 1 0 2 9 16 20 13 6 3 2 1 0 0 0 0 0 0 0 0 0 1 2 3 2 2 2 1 1 0 3 11 18 20 15 8 4 2 1 0 0 0 0 0 0 0 0 0 1 2 2 1 2 1 1 1 0 2 6 9 9 7 4 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 2 2 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 1 1 0 0 !Region 6: Section 4->6 0 1 2 2 2 2 1 0 0 0 1 2 2 2 2 1 1 0 0 0 1 1 2 2 1 1 0 1 4 8 8 7 5 3 2 0 1 3 6 7 8 6 5 3 1 0 1 2 4 6 6 5 3 1 2 9 17 21 17 11 6 4 1 1 6 12 18 21 18 14 10 2 0 2 4 7 13 17 15 10 3 4 19 43 58 53 32 17 10 2 2 12 33 56 74 66 45 24 5 1 3 9 22 43 58 48 25 6 4 24 54 74 66 40 20 8 2 3 18 51 86100 86 58 24 4 1 5 16 36 61 80 68 30 6 3 14 28 36 30 19 9 4 1 2 14 29 44 46 39 26 11 2 1 4 10 19 30 39 35 17 3 1 4 7 10 9 7 4 2 1 1 4 7 11 13 12 9 5 1 1 2 2 5 8 11 12 8 2 0 1 3 4 5 4 3 2 0 0 1 3 5 6 6 4 3 1 0 0 1 2 4 5 5 4 1 0 0 1 2 2 2 1 1 0 0 0 1 2 2 2 1 1 0 0 0 1 1 1 2 2 1 0 !Region 6: 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 1 2 3 3 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 4 7 7 6 2 0 1 1 1 1 2 2 2 1 0 0 0 1 1 1 0 1 0 1 1 2 4 9 18 19 13 4 0 1 1 1 2 2 3 3 1 0 0 0 1 0 1 0 1 0 0 1 3 6 14 25 26 16 4 0 1 1 2 2 3 4 4 2 0 0 1 1 1 1 1 0 0 0 1 2 3 8 14 17 11 3 0 0 1 1 1 2 3 3 1 0 0 0 0 0 1 1 0 0 0 0 1 1 3 5 7 6 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 3 1 0 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 51.00 Thresh = 0.020 Blend = F #Contributing = 24 InitialProfileWt = 0.069 Region 7 Sum = 19828.9; Maximum = 596.42; FM = 0.872 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 3 4 4 3 2 2 1 0 0 1 0 0 0 0 0 0 0 1 3 2 2 1 1 1 1 0 2 6 9 7 6 3 2 1 1 0 1 0 0 0 0 0 0 0 1 3 3 2 2 2 1 1 0 2 8 10 10 8 5 3 2 0 0 0 0 0 0 0 0 0 0 1 3 3 2 2 2 1 1 0 3 9 12 12 11 6 3 2 1 0 0 0 0 0 0 0 0 0 1 2 1 1 2 1 1 1 1 3 7 7 7 7 4 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 1 2 1 1 1 1 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 !Region 7: Section 4->6 0 1 1 2 2 2 1 0 0 0 0 1 1 2 2 2 0 0 0 0 0 0 1 1 1 0 0 1 2 5 7 8 6 4 2 0 0 1 2 4 7 7 7 4 1 0 0 1 1 3 4 5 4 1 1 7 12 14 15 12 9 6 2 1 3 6 11 17 19 18 14 4 0 1 2 3 7 13 15 13 4 2 10 20 32 41 33 23 15 4 1 6 17 39 66 66 52 33 8 1 2 6 16 33 45 41 29 7 4 19 38 60 60 38 22 10 2 2 18 47 87100 77 51 24 5 1 6 17 36 54 56 44 27 7 4 17 27 33 27 15 7 3 1 4 20 36 48 43 30 18 9 2 1 7 14 22 26 26 21 14 4 1 4 6 7 7 5 3 2 1 1 5 7 10 11 9 6 4 1 1 2 3 6 8 10 10 7 2 0 1 2 3 3 2 1 1 1 0 1 3 5 5 5 3 2 1 0 0 1 3 4 5 5 4 1 0 0 1 1 1 1 1 1 0 0 0 1 1 2 1 1 1 0 0 0 1 1 2 2 2 2 1 !Region 7: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 2 1 0 1 0 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 0 1 1 1 2 4 6 7 2 0 1 1 1 1 1 1 2 1 0 0 1 1 1 1 0 1 0 1 1 2 3 7 14 16 15 5 0 1 1 1 2 3 3 4 1 0 1 1 1 1 1 0 1 0 0 1 3 5 12 19 18 17 5 0 1 1 2 2 4 3 4 2 0 1 1 1 1 1 1 1 0 0 1 2 3 7 10 11 11 3 0 1 1 1 1 2 3 3 1 0 1 0 0 0 1 1 0 0 0 0 0 1 3 5 6 6 2 0 0 0 1 1 1 2 2 1 0 1 0 1 0 0 0 0 0 0 0 0 1 1 3 4 4 2 0 0 0 1 1 1 1 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 2 2 1 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 I/Sigma = 56.95 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.011 Region 8 Sum = 26986; Maximum = 814.949; FM = 0.834 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 3 4 3 2 2 1 1 0 0 0 0 0 1 0 0 0 0 2 2 2 1 1 1 1 0 1 5 8 11 10 5 3 1 0 0 0 1 0 0 1 1 0 0 1 3 3 2 2 1 1 1 0 2 10 18 23 18 7 2 2 1 0 0 0 0 0 0 1 0 0 2 3 2 2 1 1 1 1 0 4 13 18 17 9 3 2 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 5 6 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 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 !Region 8: Section 4->6 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 1 2 4 5 3 2 1 1 0 1 1 3 4 6 7 3 1 0 1 1 1 2 6 9 5 1 1 2 6 11 11 9 6 3 1 0 1 3 8 16 28 27 11 2 0 0 1 4 13 32 38 19 4 1 7 20 42 52 32 16 5 1 1 4 15 43 72 74 49 16 3 0 1 4 17 48 76 66 30 6 3 21 55 92 83 38 14 4 1 2 14 44 88100 66 31 10 2 1 4 11 30 55 57 38 18 3 6 30 55 59 35 13 4 2 1 3 20 40 50 37 19 8 4 1 1 3 8 15 18 16 12 6 1 3 12 15 10 5 3 2 1 1 2 8 9 8 6 5 3 2 1 0 1 2 4 5 6 5 3 1 1 2 2 2 1 2 1 1 0 1 1 2 2 2 2 2 1 0 0 0 1 2 2 3 2 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 1 0 !Region 8: Section 7->9 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 1 1 2 4 4 2 0 0 0 1 0 0 1 2 1 0 0 0 1 0 0 0 1 0 0 0 1 2 4 11 16 12 4 0 0 1 1 1 1 3 4 2 0 0 0 1 0 0 1 1 1 0 1 1 5 14 26 30 19 4 0 0 1 1 1 2 4 4 2 0 0 0 0 0 0 0 1 1 0 1 2 7 15 20 19 13 3 0 0 1 1 1 2 3 3 1 0 0 1 0 1 1 0 1 1 0 1 1 3 5 7 7 5 2 0 0 0 0 1 1 2 2 1 0 0 0 0 1 0 1 1 1 0 0 1 2 2 3 3 3 1 0 0 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 1 2 2 2 1 0 0 1 1 1 0 1 1 1 0 0 1 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 I/Sigma = 242.34 Thresh = 0.020 Blend = F #Contributing = 173 InitialProfileWt = 0.000 Region 9 Sum = 239841; Maximum = 18814.1; FM = 0.829 !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 0 0 0 0 0 0 0 0 0 0 0 0 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 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 2 6 13 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 2 7 11 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 1 2 4 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 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 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 1 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 2 3 2 1 0 0 0 0 0 2 4 2 1 0 0 0 0 1 4 8 6 2 0 0 0 0 1 5 10 8 3 1 0 0 0 1 13 35 14 2 0 0 0 0 2 21 54 24 3 1 0 0 0 1 15 32 17 4 1 0 0 1 5 37 82 33 2 0 0 0 0 5 46100 39 3 0 0 0 0 2 19 39 16 2 0 0 0 1 6 28 50 19 1 0 0 0 1 5 29 52 17 1 0 0 0 0 1 8 15 4 1 0 0 0 1 3 7 9 3 0 0 0 0 0 2 5 7 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 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 !Region 9: Section 7->9 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 0 1 3 4 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 6 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 12 8 2 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 4 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 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: 10 Total topped/rescanned pixels: 173 Minimum pixel ceiling(frame): 163809(neal054_10_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_10_0001.sfrm) Total spots predicted: 980 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 79* Outside frame limits: 51* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 9* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 840 Total spot components written: 840 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 840 Twin overlaps written: 0 Average Intensity: 36544.75 Average I/sigma: 102.07 % over "strong" threshold: 93.10 % less than 2 sigma: 1.07 % which spanned more than 1 frame: 92.02 Average X,Y,Z positional errors: 0.01 -0.06 -0.01 RMS X,Y,Z positional errors: 0.30 0.26 0.23 % X,Y,Z more than 0.5 pixel: 5.60 3.81 1.19 % X,Y,Z more than 1.0 pixel: 1.43 0.60 0.48 Avg % profile volume populated: 98.21 Avg % profile volume integrated: 19.45 Avg % profile missing I: 1.73 Avg % profile missing volume: 1.79 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 88.89 Max % intensity on XYZ boundaries: 10.50 15.18 2.40 Average spot-shape correlation: 0.747 RMS spot-shape correlation: 0.762 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.170 0.154 4 1.0 2.0 0.314 0.108 5 2.0 4.0 0.529 0.110 12 4.0 8.0 0.678 0.127 15 8.0 16.0 0.737 0.123 53 16.0 32.0 0.755 0.135 144 32.0 64.0 0.759 0.140 273 64.0 128.0 0.756 0.150 203 128.0 256.0 0.843 0.095 131 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): 155.317 Elapsed since INTEGRATE command (sec): 153.841 Integration time, this run (sec): 5.538 Time in unit-cell LS (sec): 0.132 Per-frame integration time (sec): 0.059 Integration completed normally ======================== 10/26/2021 10:24:28 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.2406855 will be applied to LS-fit intensities Number of spots read: 840 Number of LS-fit intensities scaled: 44 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 840 Sorting Reflection File ============================== 10/26/2021 10:24:28 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_10.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... 840 spot components in 840 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 840 spot components in 840 spots written to file /smb/isengard/data/neal054/work/neal054_10.raw Computing Reflection File Statistics ========== 10/26/2021 10:24:28 Integration of neal054 ................................................................................... Statistics for reflections in neal054_10.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 840 Number of reflection records read = 840 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 840 Number of spot components used = 840 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_10.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 6.247 11.768 13.044 90.000 96.730 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Det X # 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 32.000 1 0 1 0 0.0 9056.200 41.52 11.11 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.86-.07 1.1 .86 .07 64.000 11 0 10 2 0.0 8391.545 39.48 11.29 0.021 0.000 0.8 0.000 0.000 0.00 .52 .18-.09 1.5 1.2 .17 96.000 31 0 31 0 0.0 7361.655 35.32 11.92 0.000 0.000 0.0 0.000 0.000 0.00 .22 .05-.20 .61 .36 .67 128.000 63 0 57 13 4.8 6747.073 31.98 12.45 0.050 0.002 1.4 0.000 0.000 0.00 .08-.09-.02 .52 .27 .57 160.000 90 0 78 25 0.0 11283.834 40.87 13.17 0.096 -0.001 3.8 0.000 0.000 0.00-.02-.07-.04 .29 .20 .16 192.000 120 0 98 44 2.5 14713.494 47.59 13.92 0.140 0.000 5.6 0.000 0.000 0.00 .04-.05-.01 .23 .34 .21 224.000 140 0 102 76 0.7 22456.317 59.98 14.82 0.141 0.000 8.4 0.000 0.000 0.00 .06-.09 .01 .13 .17 .08 256.000 133 0 88 90 0.0 31401.916 80.23 15.39 0.147 0.000 10.2 0.000 0.000 0.00-.10-.06 .00 .15 .20 .08 288.000 95 0 59 72 1.1 43508.389 107.29 15.63 0.148 0.000 12.6 0.000 0.000 0.00-.06-.05-.01 .10 .14 .08 320.000 65 0 38 54 0.0 88074.480 166.17 16.53 0.115 0.000 17.4 0.000 0.000 0.00-.03-.08 .02 .06 .11 .07 352.000 38 0 21 34 2.6 85503.234 190.12 16.10 0.120 0.000 19.8 0.000 0.000 0.00-.01-.09-.00 .07 .19 .09 384.000 22 0 14 16 0.0 105925.46 245.66 15.08 0.049 0.000 10.0 0.000 0.000 0.00-.00-.07 .02 .07 .11 .08 416.000 16 0 9 14 0.0 107699.44 263.65 14.00 0.081 0.000 17.2 0.000 0.000 0.00-.04-.11 .05 .12 .15 .15 448.000 3 0 3 0 0.0 161584.00 355.89 12.68 0.000 0.000 0.0 0.000 0.000 0.00 .07-.08-.01 .10 .11 .07 480.000 12 0 8 8 0.0 183446.98 391.67 13.25 0.050 0.000 17.3 0.000 0.000 0.00-.11-.11 .02 .32 .19 .07 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 31 0 31 13 3.2 28940.997 91.27 11.83 0.130 -0.019 10.9 0.000 0.000 0.00 .42 .29-.09 .00 .95 .16 32.000 33 0 33 13 3.0 28396.913 95.41 12.27 0.094 -0.006 10.0 0.000 0.000 0.00 .07-.06-.03 .34 .30 .08 64.000 85 0 85 39 0.0 34866.286 97.23 13.49 0.135 -0.036 13.8 0.000 0.000 0.00 .04-.06-.03 .21 .18 .09 96.000 99 0 99 46 0.0 49800.337 129.70 14.60 0.115 -0.005 12.4 0.000 0.000 0.00-.04-.08 .01 .14 .11 .07 128.000 118 0 118 71 1.7 27649.924 76.74 15.60 0.115 0.022 8.8 0.000 0.000 0.00-.08-.08-.00 .22 .11 .14 160.000 146 0 104 85 2.7 42918.235 111.34 16.25 0.114 0.002 11.7 0.000 0.000 0.00-.03-.05-.03 .24 .08 .43 192.000 120 0 120 85 0.0 41744.762 106.83 15.61 0.112 0.012 10.6 0.000 0.000 0.00-.05-.04 .03 .18 .08 .31 224.000 91 0 91 52 0.0 28058.309 84.76 14.05 0.130 -0.036 10.0 0.000 0.000 0.00 .04-.06-.01 .31 .17 .13 256.000 54 0 54 18 0.0 38240.560 110.59 13.00 0.117 0.040 15.9 0.000 0.000 0.00 .06-.07-.01 .29 .24 .09 288.000 51 0 51 17 2.0 27012.085 91.30 12.09 0.086 0.007 8.5 0.000 0.000 0.00 .13-.19-.03 .32 .39 .09 320.000 12 0 12 9 0.0 36741.459 107.90 11.87 0.142 0.030 13.8 0.000 0.000 0.00 .03-.59-.09 .28 .71 .13 352.000 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_10.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 30 0 30 19 0.0 23365.926 66.18 14.16 0.138 0.017 7.4 0.000 0.000 0.00 .01-.04 .00 .14 .12 .09 30.000 95 0 95 47 0.0 26983.270 72.34 14.38 0.122 0.011 8.5 0.000 0.000 0.00-.00-.03 .00 .15 .19 .08 60.000 145 0 141 89 0.7 32290.276 86.75 15.19 0.141 0.010 11.0 0.000 0.000 0.00-.01-.08-.00 .20 .21 .19 90.000 157 0 145 90 1.3 36448.065 96.18 15.61 0.132 0.010 12.6 0.000 0.000 0.00-.01-.09-.00 .25 .19 .13 120.000 144 0 139 72 2.8 33724.890 96.93 14.91 0.111 -0.006 10.3 0.000 0.000 0.00-.03-.09 .00 .26 .15 .38 150.000 119 0 118 66 0.0 38852.456 111.94 14.06 0.109 -0.001 11.1 0.000 0.000 0.00-.02-.10-.05 .29 .18 .35 180.000 64 0 63 22 0.0 37943.804 112.81 13.35 0.078 -0.015 11.1 0.000 0.000 0.00 .07-.08-.02 .29 .22 .11 210.000 46 0 46 29 2.2 45912.372 136.54 12.66 0.107 -0.034 12.0 0.000 0.000 0.00 .01-.08-.02 .20 .25 .07 240.000 27 0 26 9 3.7 54091.346 164.21 12.26 0.072 0.017 15.5 0.000 0.000 0.00 .12 .13-.05 .48 .64 .13 270.000 13 0 13 5 0.0 119506.28 309.69 12.07 0.084 -0.017 22.6 0.000 0.000 0.00 .66 .45-.09 1.5 1.2 .17 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 63 0 63 12 1.6 13064.251 48.74 12.11 0.087 0.001 4.3 0.000 0.000 0.00 .20-.20-.04 .40 .41 .09 2.000 54 0 54 32 0.0 56675.117 146.01 12.92 0.113 0.034 15.7 0.000 0.000 0.00-.04-.14-.01 .12 .34 .10 3.000 393 0 325 148 1.5 14902.395 48.89 13.88 0.137 -0.000 6.4 0.000 0.000 0.00 .04-.04-.02 .40 .31 .33 4.000 330 0 218 256 0.6 63524.020 145.41 15.98 0.114 -0.005 13.6 0.000 0.000 0.00-.06-.06 .01 .12 .11 .08 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 287 0 276 168 0.7 30631.210 81.60 14.87 0.138 0.008 10.0 0.000 0.000 0.00-.01-.06-.00 .18 .21 .15 2.000 37 0 36 32 0.0 115564.04 251.06 14.53 0.086 0.031 18.0 0.000 0.000 0.00-.05-.13 .02 .14 .17 .09 3.000 6 0 6 2 0.0 32184.117 107.48 12.01 0.139 -0.045 15.3 0.000 0.000 0.00-.02-.33-.06 .10 .48 .12 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 5 0 5 0 0.0 5147.647 27.06 11.51 0.000 0.000 0.0 0.000 0.000 0.00 .10-.03-.01 .36 .33 .06 6.000 43 0 43 9 0.0 8184.259 37.43 12.06 0.045 -0.001 1.4 0.000 0.000 0.00 .17-.19 .02 .57 .34 .51 7.000 141 0 136 29 2.1 9703.005 38.30 13.06 0.115 -0.005 4.0 0.000 0.000 0.00 .05 .00-.08 .57 .40 .43 8.000 213 0 213 118 0.9 26343.809 71.30 14.56 0.141 -0.010 9.1 0.000 0.000 0.00-.01-.07-.01 .17 .25 .08 9.000 108 0 88 90 1.9 93388.184 199.88 16.60 0.104 -0.013 16.4 0.000 0.000 0.00-.02-.06 .01 .11 .09 .09 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.050 42 0 42 5 0.0 48059.193 112.95 14.42 0.135 -0.041 28.7 0.000 0.000 0.00-.04 .02 .00 .13 .09 .10 6.404 41 0 41 4 0.0 29971.693 90.32 14.41 0.104 -0.029 18.5 0.000 0.000 0.00-.00 .00-.01 .17 .12 .12 10.758 44 0 44 10 0.0 24334.986 78.91 14.17 0.157 -0.062 17.1 0.000 0.000 0.00 .07-.03-.02 .23 .18 .09 15.112 39 0 39 9 0.0 39771.515 103.69 14.60 0.181 -0.114 31.7 0.000 0.000 0.00 .03-.02-.03 .25 .15 .09 19.466 46 0 46 13 0.0 30402.160 88.27 14.39 0.129 -0.072 16.4 0.000 0.000 0.00 .13-.03-.10 .35 .12 .54 23.820 44 0 44 12 0.0 37396.638 107.81 14.34 0.144 -0.081 19.9 0.000 0.000 0.00 .08-.03 .03 .26 .18 .31 28.174 40 0 40 15 0.0 28288.542 86.58 14.46 0.134 -0.084 14.8 0.000 0.000 0.00 .04-.06 .01 .22 .22 .17 32.528 44 0 43 18 0.0 51521.248 139.38 14.30 0.133 -0.060 16.9 0.000 0.000 0.00 .05-.03-.01 .17 .12 .10 36.882 38 0 37 17 7.9 32096.788 96.54 14.64 0.098 -0.076 11.9 0.000 0.000 0.00 .07-.00-.04 .42 .24 .14 41.236 41 0 39 19 0.0 22245.639 73.03 14.54 0.135 -0.095 10.8 0.000 0.000 0.00 .01-.03 .00 .25 .22 .10 45.590 39 0 37 22 0.0 26357.583 81.60 14.61 0.096 -0.057 8.8 0.000 0.000 0.00 .00-.08-.01 .15 .13 .09 49.944 52 0 48 33 0.0 54428.598 132.46 14.46 0.057 0.003 7.8 0.000 0.000 0.00-.02-.05-.01 .17 .15 .07 54.298 37 0 35 23 2.7 26396.000 83.56 14.34 0.080 -0.027 6.9 0.000 0.000 0.00 .02-.05-.01 .25 .17 .14 58.652 46 0 44 32 0.0 33774.945 96.99 14.54 0.069 0.032 6.8 0.000 0.000 0.00 .08 .07-.03 .79 .74 .14 63.006 35 0 34 29 5.7 36120.333 102.81 14.80 0.103 0.056 8.6 0.000 0.000 0.00-.04-.17-.01 .23 .23 .11 67.360 45 0 41 36 0.0 33343.240 93.32 14.32 0.100 0.069 7.5 0.000 0.000 0.00-.02-.12-.05 .25 .23 .13 71.714 49 0 46 43 4.1 49388.974 120.07 14.79 0.116 0.091 9.3 0.000 0.000 0.00-.07-.13 .02 .31 .27 .62 76.068 42 0 39 39 0.0 38790.560 101.83 14.65 0.138 0.120 9.6 0.000 0.000 0.00-.06-.20-.03 .26 .34 .11 80.422 39 0 39 34 2.6 26466.381 78.61 14.71 0.155 0.132 8.9 0.000 0.000 0.00-.07-.16 .03 .25 .21 .13 84.776 37 0 36 35 0.0 54732.397 119.81 14.91 0.168 0.152 14.0 0.000 0.000 0.00-.09-.22 .02 .23 .30 .11 89.130 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 97 0 97 26 0.0 33171.978 94.27 14.42 0.156 -0.094 21.7 0.000 0.000 0.00 .07-.01-.06 .25 .13 .38 10.000 94 0 94 30 0.0 31433.186 94.25 14.47 0.143 -0.083 16.7 0.000 0.000 0.00 .07-.05 .02 .28 .20 .24 20.000 101 0 98 41 3.0 37908.419 112.74 14.45 0.114 -0.063 13.3 0.000 0.000 0.00 .04-.03-.01 .29 .18 .12 30.000 95 0 89 57 0.0 39948.354 110.41 14.55 0.076 -0.026 9.1 0.000 0.000 0.00-.00-.05-.01 .21 .17 .08 40.000 99 0 94 66 1.0 31192.591 91.00 14.44 0.075 0.001 7.0 0.000 0.000 0.00 .05 .01-.02 .56 .52 .14 50.000 98 0 91 81 2.0 39520.512 106.46 14.71 0.108 0.082 8.9 0.000 0.000 0.00-.06-.13 .02 .25 .25 .34 60.000 96 0 89 87 2.1 39486.099 101.46 14.69 0.132 0.105 9.3 0.000 0.000 0.00-.04-.19-.05 .28 .29 .31 70.000 52 0 51 47 1.9 42003.244 106.93 14.67 0.167 0.147 11.6 0.000 0.000 0.00-.10-.19 .03 .24 .27 .13 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 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 7 0 7 1 0.0 42406.886 104.12 14.08 0.254 -0.098 47.3 0.000 0.000 0.00 .00 .05-.03 .19 .13 .06 350.000 101 0 101 12 0.0 36376.905 99.21 14.33 0.118 -0.035 21.7 0.000 0.000 0.00 .01-.01-.01 .18 .13 .11 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 7.990 44 0 44 5 0.0 46308.500 110.95 14.34 0.135 -0.041 28.7 0.000 0.000 0.00-.03 .01 .00 .14 .10 .10 8.050 39 0 39 4 0.0 31019.269 92.26 14.49 0.104 -0.030 18.5 0.000 0.000 0.00-.01 .01-.01 .16 .10 .12 8.111 46 0 46 11 0.0 28017.654 87.87 14.14 0.189 -0.093 20.9 0.000 0.000 0.00 .05-.03-.02 .26 .19 .09 8.171 38 0 38 8 0.0 35386.011 94.95 14.69 0.160 -0.091 28.2 0.000 0.000 0.00 .06-.01-.03 .20 .12 .09 8.232 48 0 48 14 0.0 31068.101 90.11 14.40 0.129 -0.076 17.0 0.000 0.000 0.00 .13-.03-.10 .35 .12 .53 8.292 41 0 41 11 0.0 37586.111 108.12 14.30 0.145 -0.079 19.5 0.000 0.000 0.00 .07-.03 .03 .27 .19 .32 8.353 40 0 40 15 0.0 28288.542 86.58 14.46 0.134 -0.084 14.8 0.000 0.000 0.00 .04-.06 .01 .22 .22 .17 8.413 44 0 43 18 0.0 51521.248 139.38 14.30 0.133 -0.060 16.9 0.000 0.000 0.00 .05-.03-.01 .17 .12 .10 8.474 36 0 35 15 8.3 31697.554 96.15 14.63 0.094 -0.071 11.8 0.000 0.000 0.00 .08-.00-.03 .44 .24 .14 8.534 43 0 41 21 0.0 23038.074 74.74 14.56 0.136 -0.099 11.0 0.000 0.000 0.00 .01-.03 .00 .25 .21 .10 8.595 37 0 35 21 0.0 26566.107 82.86 14.63 0.089 -0.051 8.5 0.000 0.000 0.00 .00-.08-.01 .15 .14 .09 8.655 53 0 49 34 0.0 54053.374 131.25 14.48 0.059 -0.000 8.1 0.000 0.000 0.00-.02-.05-.01 .17 .15 .07 8.716 35 0 33 21 0.0 27693.434 84.88 14.43 0.080 -0.027 7.1 0.000 0.000 0.00-.01-.06-.00 .17 .09 .15 8.776 44 0 42 30 2.3 32500.012 96.75 14.48 0.069 0.038 6.8 0.000 0.000 0.00 .10 .09-.03 .82 .77 .15 8.837 40 0 39 33 5.0 35142.464 99.86 14.69 0.100 0.047 8.2 0.000 0.000 0.00-.02-.15-.02 .24 .22 .11 8.897 44 0 40 36 0.0 33940.134 94.40 14.31 0.100 0.070 7.5 0.000 0.000 0.00-.02-.12-.05 .25 .23 .13 8.958 44 0 41 38 4.5 41517.765 105.60 14.81 0.114 0.106 9.1 0.000 0.000 0.00-.06-.13 .02 .32 .28 .65 9.018 45 0 42 41 0.0 47095.007 119.94 14.57 0.135 0.097 9.6 0.000 0.000 0.00-.06-.20-.03 .26 .34 .11 9.079 40 0 40 35 2.5 28420.889 79.85 14.89 0.156 0.135 9.6 0.000 0.000 0.00-.07-.16 .01 .23 .20 .07 9.139 39 0 38 37 0.0 52070.210 117.78 14.80 0.167 0.151 13.3 0.000 0.000 0.00-.10-.22 .04 .25 .30 .15 9.200 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 11.000 840 0 616 448 1.1 36551.276 101.73 14.51 0.117 0.000 11.1 0.000 0.000 0.00 .01-.06-.01 .30 .26 .23 12.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2 0 2 1100.0 31.313 0.32 12.58 4.037 -0.786 0.5 0.000 0.000 0.00 .68-.40-1.5 .68 .56 2.0 0.100 1 0 1 0100.0 -31.645 -0.31 13.02 0.000 0.000 0.0 0.000 0.000 0.00-1.1 .07-.01 1.1 .07 .01 0.200 3 0 3 2100.0 152.725 1.40 14.32 0.402 -0.031 0.5 0.000 0.000 0.00-.03-.11 .05 .42 .16 .25 0.300 12 0 12 6 16.7 14928.200 53.66 16.31 0.132 0.064 7.0 0.000 0.000 0.00 .09 .03-.05 .37 .27 .12 0.400 54 0 52 31 1.9 20522.466 59.33 15.67 0.169 0.016 9.8 0.000 0.000 0.00 .01-.05 .01 .26 .13 .11 0.500 64 0 61 34 0.0 27039.978 71.70 15.06 0.128 0.002 8.8 0.000 0.000 0.00-.01-.08-.00 .23 .12 .08 0.600 141 0 135 75 0.0 29601.637 83.31 14.92 0.120 0.001 9.8 0.000 0.000 0.00-.03-.07-.03 .24 .13 .32 0.700 174 0 167 80 0.0 33448.978 95.22 14.33 0.121 0.000 10.5 0.000 0.000 0.00-.00-.05 .01 .28 .30 .27 0.800 290 0 266 154 0.0 39992.565 110.18 14.25 0.108 -0.004 11.6 0.000 0.000 0.00 .01-.06-.00 .22 .20 .17 0.900 99 0 90 65 0.0 61544.197 158.09 13.87 0.115 0.002 15.0 0.000 0.000 0.00 .10-.09-.03 .56 .51 .11 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 834 0 610 448 1.1 36560.603 101.67 14.53 0.117 0.000 11.1 0.000 0.000 0.00 .00-.07-.01 .25 .20 .23 0.050 1 0 1 0 0.0 110404.00 264.12 11.54 0.000 0.000 0.0 0.000 0.000 0.00 .20 .06-.08 .20 .06 .08 0.100 1 0 1 0 0.0 6477.800 41.29 11.79 0.000 0.000 0.0 0.000 0.000 0.00-.15-.95-.28 .15 .95 .28 0.150 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.250 1 0 1 0 0.0 74283.602 129.50 11.95 0.000 0.000 0.0 0.000 0.000 0.00 .12-.09-.03 .12 .09 .03 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 0.0 9227.750 35.86 11.54 0.000 0.000 0.0 0.000 0.000 0.00 2.5 2.2-.34 3.5 2.8 .38 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 1 0 1 0 0.0 1907.700 7.83 11.74 0.000 0.000 0.0 0.000 0.000 0.00 1.4 2.8-.48 1.4 2.8 .48 0.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.550 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 50 0 49 20 6.0 21718.389 73.09 14.49 0.112 0.021 8.5 0.000 0.000 0.00 .10-.03-.03 .25 .24 .15 0.050 40 0 40 17 2.5 23844.551 78.65 14.16 0.105 -0.036 10.0 0.000 0.000 0.00 .02-.07-.08 .30 .16 .58 0.100 31 0 31 16 0.0 23525.766 85.68 13.99 0.087 -0.005 7.9 0.000 0.000 0.00 .12-.17-.01 .40 .33 .20 0.150 34 0 34 12 2.9 42899.016 115.44 14.22 0.085 -0.015 10.4 0.000 0.000 0.00 .04-.07 .02 .28 .17 .10 0.200 38 0 38 20 0.0 39235.816 98.58 14.67 0.173 -0.020 13.9 0.000 0.000 0.00 .07-.07 .01 .22 .22 .13 0.250 39 0 38 23 0.0 39430.859 103.41 14.95 0.091 0.033 9.2 0.000 0.000 0.00 .12 .04 .00 .79 .64 .15 0.300 43 0 43 24 0.0 49855.598 120.57 14.57 0.093 0.027 10.4 0.000 0.000 0.00-.02-.07 .05 .14 .12 .11 0.350 43 0 43 21 0.0 41662.255 111.86 15.12 0.125 0.020 13.2 0.000 0.000 0.00 .03-.02 .07 .23 .21 .31 0.400 50 0 50 23 2.0 43442.723 114.50 14.33 0.124 0.036 12.5 0.000 0.000 0.00 .02-.02-.01 .27 .19 .14 0.450 75 0 72 48 0.0 40362.306 107.22 14.68 0.099 -0.032 10.5 0.000 0.000 0.00 .00-.08-.00 .18 .21 .09 0.500 63 0 63 33 0.0 31813.618 88.46 14.48 0.121 0.012 11.0 0.000 0.000 0.00-.02-.07 .03 .24 .19 .41 0.550 40 0 40 30 2.5 34039.817 88.78 15.28 0.143 0.011 11.1 0.000 0.000 0.00-.03-.11-.02 .16 .18 .09 0.600 33 0 33 22 0.0 49200.691 110.35 15.32 0.156 -0.006 15.2 0.000 0.000 0.00-.06-.08-.05 .14 .15 .10 0.650 37 0 37 24 0.0 47893.991 133.67 14.70 0.136 -0.025 14.8 0.000 0.000 0.00-.04-.07-.07 .27 .16 .10 0.700 45 0 44 26 2.2 49076.683 136.50 14.30 0.123 0.012 10.5 0.000 0.000 0.00-.07-.04-.10 .25 .18 .43 0.750 53 0 52 28 0.0 42093.917 110.20 14.52 0.102 -0.024 13.6 0.000 0.000 0.00-.07-.10-.03 .17 .19 .07 0.800 32 0 32 16 0.0 21553.369 69.77 14.19 0.126 -0.043 8.5 0.000 0.000 0.00-.07-.12-.01 .38 .22 .09 0.850 35 0 34 14 0.0 23578.009 73.48 13.99 0.108 0.003 9.1 0.000 0.000 0.00 .01-.08-.02 .34 .20 .11 0.900 33 0 33 17 0.0 30319.902 90.23 14.15 0.111 0.024 10.6 0.000 0.000 0.00 .00-.01-.02 .34 .53 .10 0.950 26 0 26 14 3.8 22911.131 73.68 13.47 0.102 -0.025 6.9 0.000 0.000 0.00 .13-.10-.04 .31 .35 .17 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.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 2695.314 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5390.629 2 0 2 0 0.0 2812.750 13.55 14.88 0.000 0.000 0.0 0.000 0.000 0.00 .16-.05 .74 .16 .05 1.4 10781.258 197 0 162 85 2.5 7648.808 31.55 14.91 0.174 -0.024 4.8 0.000 0.000 0.00-.01-.04-.01 .24 .10 .34 21562.516 352 0 282 168 0.9 20086.754 59.74 14.25 0.139 -0.009 8.2 0.000 0.000 0.00 .00-.07-.02 .27 .18 .22 43125.031 178 0 132 109 0.6 41668.808 101.88 14.27 0.132 0.008 12.8 0.000 0.000 0.00 .02-.08-.02 .27 .37 .09 86250.062 70 0 47 53 0.0 96606.890 181.46 15.32 0.112 -0.013 19.3 0.000 0.000 0.00 .08-.05-.00 .61 .53 .10 172500.125 29 0 19 25 0.0 168617.92 272.13 14.83 0.094 0.018 24.0 0.000 0.000 0.00-.01-.11 .02 .11 .15 .07 345000.250 11 0 8 8 0.0 214637.71 376.55 13.61 0.060 0.017 20.7 0.000 0.000 0.00-.06-.11 .02 .29 .16 .09 690000.500 1 0 1 0 0.0 689629.00 716.13 13.47 0.000 0.000 0.0 0.000 0.000 0.00-.34 .07 .02 .34 .07 .02 1380001.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.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 2.006 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.011 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.017 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.022 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.028 80 0 75 14 3.8 15498.430 62.87 11.70 0.125 -0.005 9.1 0.000 0.000 0.00 .29-.05-.07 .76 .71 .13 12.034 302 0 257 102 0.7 28089.356 91.33 12.96 0.116 -0.003 10.6 0.000 0.000 0.00 .02-.07-.04 .28 .21 .35 14.039 251 0 184 153 0.8 36435.907 97.13 14.92 0.109 -0.002 9.3 0.000 0.000 0.00-.03-.06 .02 .14 .11 .16 16.045 164 0 103 142 0.6 48462.895 111.28 16.98 0.129 -0.006 12.2 0.000 0.000 0.00-.07-.06 .02 .12 .09 .08 18.050 43 0 29 37 2.3 90392.663 164.62 18.80 0.106 0.024 16.5 0.000 0.000 0.00-.06-.07 .01 .12 .09 .10 20.056 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) ErrX # 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 1 0 1 0100.0 -31.645 -0.31 13.02 0.000 0.000 0.0 0.000 0.000 0.00-1.1 .07-.01 1.1 .07 .01 -1.020 1 0 1 0 0.0 6364.700 34.53 11.19 0.000 0.000 0.0 0.000 0.000 0.00-.90-.50 .06 .90 .50 .06 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 3 0 3 1 0.0 5640.178 30.65 12.25 0.070 0.060 3.4 0.000 0.000 0.00-.73-.04 1.1 .73 .27 1.8 -0.660 5 0 5 2 0.0 2806.015 16.79 12.39 0.088 0.001 2.2 0.000 0.000 0.00-.62-.28 .14 .62 .46 .17 -0.540 11 0 11 6 9.1 28316.152 127.57 12.64 0.046 -0.004 1.0 0.000 0.000 0.00-.49 .02 .14 .50 .46 .29 -0.420 20 0 19 13 0.0 54830.414 188.51 13.53 0.074 0.004 5.9 0.000 0.000 0.00-.35-.12 .04 .35 .24 .10 -0.300 66 0 62 43 0.0 28117.942 76.42 14.85 0.130 0.096 9.1 0.000 0.000 0.00-.23-.09 .04 .23 .15 .12 -0.180 200 0 183 142 0.5 45889.904 111.65 15.52 0.111 0.044 11.8 0.000 0.000 0.00-.11-.10 .01 .12 .16 .09 -0.060 320 0 279 186 0.0 44813.195 112.67 14.84 0.118 -0.033 12.4 0.000 0.000 0.00-.01-.06 .00 .04 .12 .09 0.060 106 0 102 36 0.0 27919.894 82.55 13.66 0.136 -0.039 13.0 0.000 0.000 0.00 .11-.06-.02 .12 .16 .10 0.180 46 0 46 9 4.3 13016.161 53.91 13.46 0.138 -0.001 2.1 0.000 0.000 0.00 .24-.05-.08 .25 .17 .33 0.300 21 0 21 2 0.0 5051.162 25.94 12.77 0.041 -0.003 0.8 0.000 0.000 0.00 .37-.03-.12 .37 .22 .20 0.420 9 0 9 2 11.1 4348.015 23.07 12.72 0.055 -0.008 1.8 0.000 0.000 0.00 .47-.01-.18 .47 .41 .20 0.540 8 0 8 2 12.5 5332.072 28.79 12.18 0.365 0.000 0.5 0.000 0.000 0.00 .60-.20-.16 .60 .46 .19 0.660 7 0 7 1 14.3 13053.068 73.49 12.20 0.113 0.098 26.3 0.000 0.000 0.00 .71 .05-.52 .71 .37 1.1 0.780 4 0 4 1 0.0 2381.574 15.23 12.05 0.118 0.050 2.6 0.000 0.000 0.00 .83-.75-.17 .84 .87 .18 0.900 1 0 1 1 0.0 553.444 4.75 13.30 0.253 -0.253 1.2 0.000 0.000 0.00 .92-.07-.09 .92 .07 .09 1.020 4 0 4 1 25.0 4535.363 26.30 11.83 0.168 0.008 1.0 0.000 0.000 0.00 1.1 .19-.21 1.1 .76 .25 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 4 0 4 0 0.0 2982.778 15.75 11.80 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .76-1.1 1.3 1.6 1.8 1.380 3 0 3 0 0.0 2025.202 13.39 11.75 0.000 0.000 0.0 0.000 0.000 0.00 2.7 .90-.36 3.1 2.3 .38 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 1 0.0 4035.900 21.99 11.80 0.118 0.118 2.6 0.000 0.000 0.00 .80-1.5-.24 .80 1.5 .24 -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 1 0 1 0 0.0 6477.800 41.29 11.79 0.000 0.000 0.0 0.000 0.000 0.00-.15-.95-.28 .15 .95 .28 -0.900 5 0 5 3 20.0 24573.861 85.07 11.78 0.173 0.158 12.0 0.000 0.000 0.00 .60-.85-.15 .80 .85 .17 -0.780 6 0 6 4 0.0 8007.783 38.49 11.88 0.070 0.066 2.9 0.000 0.000 0.00 .34-.73-.11 .78 .73 .16 -0.660 6 0 6 2 0.0 10950.101 48.49 12.02 0.057 0.045 6.1 0.000 0.000 0.00 .40-.58-.09 .81 .58 .16 -0.540 11 0 11 4 0.0 22269.727 78.81 11.82 0.110 0.005 12.9 0.000 0.000 0.00 .04-.48-.04 .51 .48 .08 -0.420 28 0 25 18 0.0 23838.135 80.66 12.48 0.115 0.034 7.7 0.000 0.000 0.00 .04-.35-.03 .37 .35 .19 -0.300 58 0 53 49 1.7 37853.720 104.50 13.52 0.111 0.080 9.9 0.000 0.000 0.00-.07-.22 .00 .23 .22 .10 -0.180 322 0 281 216 0.3 47731.438 117.31 15.17 0.098 0.049 10.1 0.000 0.000 0.00-.04-.11-.00 .19 .12 .25 -0.060 307 0 303 135 1.0 32296.213 90.97 14.91 0.148 -0.091 14.1 0.000 0.000 0.00 .00-.01-.01 .14 .04 .27 0.060 60 0 59 10 3.3 31283.791 103.66 13.59 0.258 -0.037 12.6 0.000 0.000 0.00 .02 .10-.01 .23 .10 .13 0.180 15 0 15 3 0.0 6886.913 32.23 12.43 0.254 -0.024 5.4 0.000 0.000 0.00 .02 .23-.04 .38 .23 .10 0.300 8 0 8 0 0.0 4879.750 25.03 11.78 0.000 0.000 0.0 0.000 0.000 0.00 .47 .37-.13 .55 .37 .16 0.420 4 0 4 1 0.0 4085.195 23.54 12.21 0.085 -0.005 0.7 0.000 0.000 0.00 .11 .50-.08 .39 .51 .15 0.540 2 0 2 1 0.0 1996.967 13.26 11.60 0.155 -0.120 2.7 0.000 0.000 0.00-.00 .57-.05 .48 .58 .13 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 2 0 2 0 50.0 4125.970 24.44 11.49 0.000 0.000 0.0 0.000 0.000 0.00 1.1 .87-.18 1.1 .88 .19 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 2 0 2 1 0.0 4480.100 25.69 11.74 0.073 0.009 0.7 0.000 0.000 0.00 .45 1.2 .10 1.0 1.2 .33 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 2 0 2 0 0.0 3307.200 14.58 11.43 0.000 0.000 0.0 0.000 0.000 0.00 3.1 3.4-.50 3.6 3.4 .50 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 2 0 2 0 50.0 376.869 3.12 12.73 0.000 0.000 0.0 0.000 0.000 0.00 1.0-.08-3.2 1.1 .11 3.2 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.660 1 0 1 1 0.0 2714.200 15.75 12.41 0.095 -0.095 1.5 0.000 0.000 0.00 .40-.32-.58 .40 .32 .58 -0.540 5 0 5 0 0.0 4793.560 20.99 12.68 0.000 0.000 0.0 0.000 0.000 0.00 1.3 1.4-.47 2.3 2.2 .48 -0.420 12 0 12 3 8.3 4690.997 25.82 13.53 0.049 -0.003 1.8 0.000 0.000 0.00 .40-.03-.36 .64 .22 .36 -0.300 45 0 45 14 8.9 7828.697 35.08 13.51 0.139 -0.033 4.8 0.000 0.000 0.00 .29-.10-.22 .55 .46 .23 -0.180 133 0 129 56 0.0 32071.141 95.95 13.52 0.148 0.018 13.5 0.000 0.000 0.00 .14-.09-.10 .30 .27 .10 -0.060 459 0 382 259 0.2 37474.501 99.13 14.70 0.117 -0.014 11.2 0.000 0.000 0.00-.04-.07-.00 .16 .14 .03 0.060 157 0 145 105 0.6 54608.237 133.78 15.39 0.103 0.021 11.6 0.000 0.000 0.00-.10-.06 .10 .18 .15 .10 0.180 15 0 14 6 0.0 13219.553 46.60 13.87 0.127 0.021 5.4 0.000 0.000 0.00-.18-.01 .22 .22 .10 .22 0.300 5 0 5 3 20.0 1744.508 12.01 13.37 0.090 0.053 1.1 0.000 0.000 0.00-.25 .16 .36 .45 .55 .36 0.420 3 0 3 0 0.0 4687.056 29.18 13.49 0.000 0.000 0.0 0.000 0.000 0.00-.11-.09 .50 .15 .10 .50 0.540 1 0 1 1 0.0 3566.900 19.63 12.86 0.005 -0.005 0.1 0.000 0.000 0.00-.54-.30 .64 .54 .30 .64 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 2 0 2 0 0.0 1328.917 8.42 13.65 0.000 0.000 0.0 0.000 0.000 0.00-.24-.06 2.5 .50 .06 2.6 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 392 0 392 0 1.3 22358.965 73.92 13.54 0.000 0.000 0.0 0.000 0.000 0.00 .08-.01-.03 .40 .32 .32 1.000 448 0 224 448 0.9 48969.548 119.73 15.36 0.117 0.000 11.1 0.000 0.000 0.00-.06-.11 .00 .18 .20 .10 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_10.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 840 0 616 448 1.1 36551.276 101.73 14.51 0.117 0.000 11.1 0.000 0.000 0.00 .01-.06-.01 .30 .26 .23 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_10.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 124 0 73 102 0.8 106097.87 226.47 15.93 0.087 0.000 16.3 0.000 0.000 0.00-.02-.08 .02 .12 .12 .09 1.837 100 0 60 80 1.0 57622.995 128.05 15.91 0.149 0.000 15.2 0.000 0.000 0.00-.05-.07-.01 .10 .14 .09 1.465 103 0 67 72 0.0 36672.458 89.11 15.14 0.136 0.000 11.3 0.000 0.000 0.00-.09-.07-.00 .12 .15 .07 1.282 98 0 69 58 0.0 22683.012 64.06 15.06 0.169 0.000 8.4 0.000 0.000 0.00-.03-.06 .01 .14 .22 .09 1.166 85 0 62 46 0.0 23671.555 61.46 14.64 0.129 0.000 7.9 0.000 0.000 0.00 .06-.10 .00 .13 .20 .08 1.083 78 0 63 30 5.1 14520.837 47.85 14.13 0.164 0.000 5.7 0.000 0.000 0.00 .09-.04-.01 .27 .40 .25 1.020 71 0 60 22 0.0 14201.483 46.03 13.54 0.138 0.000 7.1 0.000 0.000 0.00-.01-.07-.00 .18 .18 .09 0.969 72 0 60 24 0.0 11690.476 42.11 13.07 0.089 0.000 3.5 0.000 0.000 0.00-.02-.08-.06 .32 .23 .16 0.927 62 0 57 10 4.8 6815.225 31.73 12.54 0.037 0.000 0.8 0.000 0.000 0.00 .17-.03-.10 .55 .33 .41 0.891 47 0 45 4 0.0 7812.060 36.70 11.97 0.054 0.000 2.2 0.000 0.000 0.00 .16-.00-.06 .88 .63 .72 0.861 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 42 0 36 14 21.4 554.236 4.75 14.02 0.280 -0.027 1.5 0.000 0.000 0.00 .23-.01-.12 .64 .35 .89 1346.932 48 0 43 15 0.0 1917.362 11.76 13.72 0.183 -0.021 2.4 0.000 0.000 0.00 .08 .01 .02 .44 .49 .32 2693.863 94 0 83 34 0.0 4062.204 21.25 13.47 0.134 -0.020 3.1 0.000 0.000 0.00 .12-.03-.06 .58 .48 .17 5387.727 138 0 119 60 0.0 8061.036 33.97 13.93 0.142 -0.018 5.2 0.000 0.000 0.00 .01-.07-.03 .27 .24 .12 10775.453 144 0 127 58 0.0 15722.813 50.15 13.95 0.132 -0.005 6.7 0.000 0.000 0.00-.02-.07 .00 .18 .16 .10 21550.906 160 0 127 97 0.0 30490.989 71.44 14.86 0.134 -0.024 9.9 0.000 0.000 0.00-.03-.08 .00 .11 .14 .08 43101.812 116 0 88 90 0.0 60583.071 115.86 15.57 0.137 -0.003 15.9 0.000 0.000 0.00-.06-.10 .00 .12 .15 .07 86203.625 68 0 50 56 0.0 111961.79 185.92 15.92 0.108 0.002 20.0 0.000 0.000 0.00-.03-.09 .00 .10 .15 .06 172407.250 28 0 19 24 0.0 223060.07 289.41 16.19 0.090 0.026 24.9 0.000 0.000 0.00-.08-.09 .05 .14 .12 .10 344814.500 2 0 2 0 0.0 532063.50 608.77 13.70 0.000 0.000 0.0 0.000 0.000 0.00-.16 .00 .06 .24 .07 .07 689629.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 9 0 8 4100.0 91.965 0.94 14.38 1.204 -0.488 1.5 0.000 0.000 0.00 .20-.00-.41 .67 .41 .98 1.930 12 0 12 2 0.0 318.570 2.81 14.27 0.289 -0.013 0.7 0.000 0.000 0.00 .27-.09-.07 .60 .25 .23 3.724 9 0 8 3 0.0 633.772 5.32 13.79 0.204 0.020 1.0 0.000 0.000 0.00 .44-.11-.09 .77 .16 1.6 7.186 50 0 43 17 0.0 1614.139 10.20 13.70 0.188 -0.016 2.0 0.000 0.000 0.00 .09 .05 .03 .49 .52 .32 13.867 106 0 95 33 0.0 4049.150 20.73 13.58 0.139 -0.021 3.0 0.000 0.000 0.00 .11-.02-.05 .55 .45 .17 26.761 220 0 183 97 0.0 10326.924 39.26 13.98 0.151 -0.017 5.9 0.000 0.000 0.00-.01-.07-.02 .24 .22 .12 51.641 250 0 191 144 0.0 30369.882 71.97 14.69 0.138 -0.011 10.0 0.000 0.000 0.00-.03-.08 .00 .13 .15 .08 99.653 123 0 82 100 0.0 75180.515 137.85 15.89 0.121 0.003 16.6 0.000 0.000 0.00-.06-.09 .01 .09 .15 .07 192.305 54 0 36 44 0.0 164308.62 254.95 15.57 0.102 0.009 25.3 0.000 0.000 0.00-.01-.09 .02 .14 .14 .08 371.099 7 0 6 4 0.0 314076.86 475.05 13.97 0.037 0.011 13.3 0.000 0.000 0.00-.20-.07 .02 .26 .10 .06 716.126 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 57 0 29 57 0.0 49122.182 128.03 14.78 0.018 0.000 1.8 0.000 0.000 0.00-.07-.13 .01 .17 .18 .13 0.030 58 0 34 58 0.0 68955.191 157.73 15.46 0.047 0.009 5.7 0.000 0.000 0.00-.08-.14 .03 .15 .17 .07 0.060 51 0 38 51 0.0 42491.406 109.96 14.97 0.073 0.005 6.3 0.000 0.000 0.00-.09-.11 .02 .22 .29 .12 0.090 58 0 55 58 0.0 50609.229 123.98 15.36 0.107 0.071 10.5 0.000 0.000 0.00-.04-.14-.02 .20 .26 .11 0.120 52 0 52 52 0.0 59902.100 133.73 15.43 0.135 -0.002 15.0 0.000 0.000 0.00-.06-.14 .01 .14 .21 .07 0.150 51 0 51 51 0.0 59268.859 119.56 15.96 0.164 0.096 16.4 0.000 0.000 0.00-.06-.10 .00 .22 .15 .10 0.180 34 0 34 34 0.0 45781.292 104.38 15.48 0.194 0.010 16.7 0.000 0.000 0.00-.05-.12-.01 .13 .20 .09 0.210 23 0 23 23 0.0 31012.112 84.26 15.43 0.227 -0.151 16.2 0.000 0.000 0.00-.03-.08-.03 .15 .15 .10 0.240 22 0 22 22 0.0 42779.389 108.40 15.86 0.255 -0.238 19.7 0.000 0.000 0.00 .01-.03 .02 .22 .07 .07 0.270 9 0 9 9 0.0 29212.522 72.07 15.33 0.283 -0.283 18.7 0.000 0.000 0.00-.03-.03 .00 .07 .06 .06 0.300 7 0 7 7 0.0 29472.086 74.49 15.08 0.322 -0.322 20.9 0.000 0.000 0.00-.10-.04 .00 .12 .09 .07 0.330 8 0 8 8 0.0 16974.395 53.95 15.65 0.346 -0.346 16.0 0.000 0.000 0.00 .04-.02 .01 .08 .04 .07 0.360 2 0 2 2 50.0 4659.166 25.06 15.88 0.385 -0.385 7.1 0.000 0.000 0.00-.30-.10 .23 .35 .16 .25 0.390 4 0 4 4 0.0 9798.100 39.72 15.52 0.395 -0.395 14.3 0.000 0.000 0.00-.06-.09 .01 .07 .15 .04 0.420 4 0 4 4 25.0 2965.733 21.02 15.23 0.439 -0.374 8.1 0.000 0.000 0.00-.01-.07 .03 .07 .09 .06 0.450 3 0 3 3 0.0 2704.025 19.30 14.56 0.459 -0.459 8.4 0.000 0.000 0.00-.09 .09-.07 .10 .15 .08 0.480 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.510 2 0 2 2 0.0 5745.450 29.39 15.33 0.520 -0.520 13.8 0.000 0.000 0.00 .12 .03-.01 .19 .07 .10 0.540 1 0 1 1 0.0 2859.500 19.03 13.99 0.558 -0.558 10.6 0.000 0.000 0.00 .12 .16-.21 .12 .16 .21 0.570 2 0 2 2100.0 68.106 0.81 14.90 2.859 -2.859 2.4 0.000 0.000 0.00 .45-.37-.27 .48 .56 .28 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 6 0 6 6 33.3 2559.381 18.76 15.19 0.544 -0.544 7.8 0.000 0.000 0.00 .18-.08-.13 .31 .33 .19 -0.460 4 0 4 4 0.0 4547.575 26.95 14.47 0.447 -0.447 12.5 0.000 0.000 0.00-.02 .05-.03 .06 .13 .08 -0.420 5 0 5 5 0.0 9668.100 38.82 15.74 0.393 -0.393 14.2 0.000 0.000 0.00-.06-.07 .03 .07 .13 .06 -0.380 7 0 7 7 14.3 15285.199 52.83 15.71 0.349 -0.349 13.9 0.000 0.000 0.00-.03-.04 .07 .20 .09 .15 -0.340 9 0 9 9 0.0 26141.511 69.71 15.10 0.324 -0.324 19.8 0.000 0.000 0.00-.07-.04-.00 .11 .09 .06 -0.300 13 0 13 13 0.0 30039.446 74.71 15.63 0.277 -0.277 17.9 0.000 0.000 0.00-.03-.02 .01 .07 .06 .06 -0.260 23 0 23 23 0.0 52491.298 114.32 15.68 0.245 -0.245 23.0 0.000 0.000 0.00 .02-.01-.01 .22 .05 .09 -0.220 19 0 19 19 0.0 47664.721 117.46 15.01 0.199 -0.199 18.7 0.000 0.000 0.00 .01-.04-.04 .10 .11 .07 -0.180 20 0 20 20 0.0 47644.335 111.32 15.13 0.156 -0.156 15.9 0.000 0.000 0.00-.03-.04 .00 .17 .18 .08 -0.140 33 0 33 33 0.0 45801.024 114.90 15.49 0.128 -0.128 11.9 0.000 0.000 0.00-.02-.06-.02 .11 .12 .08 -0.100 32 0 32 32 0.0 41042.244 111.04 14.87 0.076 -0.076 6.6 0.000 0.000 0.00-.06-.05 .01 .19 .17 .14 -0.060 36 0 36 36 0.0 67941.039 160.39 15.04 0.040 -0.040 5.0 0.000 0.000 0.00-.06-.12 .04 .15 .16 .08 -0.020 34 0 17 34 0.0 32025.694 91.33 15.11 0.009 0.000 0.7 0.000 0.000 0.00-.10-.11 .01 .18 .13 .15 0.020 45 0 45 45 0.0 72546.989 162.80 15.21 0.041 0.041 5.2 0.000 0.000 0.00-.07-.16 .02 .15 .22 .07 0.060 35 0 35 35 0.0 36235.675 98.22 15.00 0.078 0.078 6.1 0.000 0.000 0.00-.10-.15 .02 .24 .32 .12 0.100 50 0 50 50 0.0 64297.096 138.31 15.49 0.115 0.115 13.5 0.000 0.000 0.00-.06-.20-.00 .21 .30 .08 0.140 42 0 42 42 0.0 70934.341 133.85 16.21 0.161 0.161 17.6 0.000 0.000 0.00-.08-.15 .01 .23 .19 .11 0.180 23 0 23 23 0.0 38588.899 88.06 15.96 0.196 0.196 14.6 0.000 0.000 0.00-.08-.18-.00 .19 .24 .11 0.220 9 0 9 9 0.0 8540.644 39.64 15.33 0.239 0.239 8.8 0.000 0.000 0.00-.07-.14 .03 .10 .21 .09 0.260 1 0 1 1 0.0 6048.900 31.52 14.28 0.264 0.264 8.3 0.000 0.000 0.00-.11-.12 .07 .11 .12 .07 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.340 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 2 0 2 2 50.0 457.516 4.54 15.01 0.426 0.426 1.9 0.000 0.000 0.00-.04-.11 .02 .09 .12 .05 0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 40 0 20 40 7.5 17002.385 67.28 14.41 0.008 0.000 0.5 0.000 0.000 0.00-.06-.10 .02 .27 .30 .17 1.000 39 0 20 39 0.0 14637.063 54.75 14.84 0.027 0.002 1.5 0.000 0.000 0.00 .01-.11-.04 .29 .17 .14 2.000 30 0 16 30 0.0 19246.143 65.04 14.69 0.038 -0.000 2.5 0.000 0.000 0.00-.05-.16-.00 .28 .37 .12 3.000 27 0 17 27 0.0 15607.918 56.61 15.35 0.062 0.012 3.5 0.000 0.000 0.00-.14-.13 .01 .22 .20 .08 4.000 26 0 19 26 3.8 23944.150 69.76 15.34 0.064 0.006 4.4 0.000 0.000 0.00-.09-.10 .01 .16 .13 .09 5.000 25 0 17 25 0.0 36220.664 99.93 13.91 0.055 -0.005 5.4 0.000 0.000 0.00 .01-.18-.02 .10 .25 .07 6.000 19 0 15 19 0.0 28804.779 81.45 15.22 0.079 0.020 6.4 0.000 0.000 0.00-.09-.12 .03 .13 .14 .11 7.000 17 0 15 17 0.0 50240.912 119.51 15.49 0.064 0.010 7.6 0.000 0.000 0.00-.04-.07-.01 .09 .09 .05 8.000 17 0 16 17 0.0 65835.235 152.89 16.03 0.055 -0.001 8.5 0.000 0.000 0.00-.09-.11 .04 .11 .13 .07 9.000 8 0 8 8 0.0 41240.125 115.29 15.18 0.084 0.005 9.7 0.000 0.000 0.00-.03-.15-.01 .09 .23 .07 10.000 14 0 13 14 0.0 44726.257 107.14 16.18 0.098 0.023 10.5 0.000 0.000 0.00-.06-.13-.01 .13 .25 .08 11.000 14 0 14 14 0.0 52325.007 106.52 15.92 0.108 0.049 11.5 0.000 0.000 0.00-.08-.11 .04 .14 .14 .09 12.000 11 0 11 11 0.0 59366.173 124.82 15.24 0.099 -0.002 12.4 0.000 0.000 0.00-.08-.08 .01 .10 .15 .08 13.000 17 0 17 17 0.0 40181.024 87.58 16.03 0.154 0.021 13.5 0.000 0.000 0.00-.07-.11 .02 .11 .13 .09 14.000 14 0 13 14 0.0 73467.949 151.22 15.42 0.096 0.014 14.5 0.000 0.000 0.00-.05-.10-.00 .15 .13 .07 15.000 11 0 11 11 0.0 73816.710 131.74 15.39 0.118 0.045 15.5 0.000 0.000 0.00-.09-.16-.01 .13 .20 .10 16.000 13 0 13 13 0.0 60155.454 121.22 16.36 0.137 0.020 16.6 0.000 0.000 0.00-.07-.09 .02 .11 .11 .08 17.000 11 0 11 11 0.0 44097.526 105.46 15.73 0.165 -0.084 17.4 0.000 0.000 0.00-.04-.06 .02 .08 .11 .07 18.000 12 0 12 12 0.0 81382.826 152.24 15.78 0.122 -0.001 18.6 0.000 0.000 0.00-.06-.09-.02 .12 .12 .05 19.000 7 0 7 7 0.0 95452.616 166.08 16.61 0.117 0.034 19.5 0.000 0.000 0.00-.11-.07 .04 .13 .10 .08 20.000 7 0 7 7 0.0 49934.529 118.59 16.62 0.174 -0.097 20.6 0.000 0.000 0.00-.00-.07 .05 .08 .14 .07 21.000 8 0 8 8 0.0 87877.050 138.97 16.72 0.154 0.154 21.4 0.000 0.000 0.00-.11-.13 .03 .14 .13 .09 22.000 7 0 7 7 0.0 82294.486 162.04 16.42 0.140 0.001 22.6 0.000 0.000 0.00-.08-.05-.02 .09 .10 .06 23.000 8 0 8 8 0.0 73099.976 135.30 17.23 0.173 -0.040 23.4 0.000 0.000 0.00-.07-.07-.02 .08 .11 .04 24.000 46 0 30 46 0.0 122813.35 199.98 15.42 0.172 -0.033 33.2 0.000 0.000 0.00-.02-.09-.00 .14 .19 .08 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 840 0 616 448 1.1 36551.276 101.73 14.51 0.117 0.000 11.1 0.000 0.000 0.00 .01-.06-.01 .30 .26 .23 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 12 0 12 0 25.0 54888.637 174.09 16.63 0.000 0.000 0.0 0.000 0.000 0.00 .06-.04-.26 .34 .08 .86 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_10.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.837 73 188 38.83 1.70 0.087 0 0.00 0.087 226.47 0.8 to 1.465 133 351 37.89 1.68 0.106 0 0.00 0.149 128.05 1.0 to 1.282 200 511 39.14 1.64 0.111 0 0.00 0.136 89.11 0.0 to 1.166 269 683 39.39 1.58 0.115 0 0.00 0.169 64.06 0.0 to 1.083 331 839 39.45 1.54 0.116 0 0.00 0.129 61.46 0.0 to 1.020 394 1003 39.28 1.49 0.117 0 0.00 0.164 47.85 5.1 to 0.969 454 1175 38.64 1.45 0.117 0 0.00 0.138 46.03 0.0 to 0.927 514 1334 38.53 1.42 0.117 0 0.00 0.089 42.11 0.0 to 0.891 571 1486 38.43 1.39 0.117 0 0.00 0.037 31.73 4.8 to 0.861 616 1653 37.27 1.36 0.117 0 0.00 0.054 36.70 0.0