SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:25:04 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 15 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 45.56 (from frame neal054_14_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_14_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_14_0001.sfrm) Base offset per exposure: 64 (from frame neal054_14_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_14_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 10:25:04 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_14_0001.sfrm Nominal time per frame (s): 21 Intensity normalization in deg/min: 2.85714 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:25:05 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_14_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 10:25:05 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_14_0001.sfrm Active pixel mask written to neal054_am_14_0001.sfrm Fraction of mask marked active: 0.9595 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 58.943 57.368 51.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 82 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:25:05 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 = 92.55% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.78 0.78 2.27 1.000 2_0003 6 0.38 -0.36 0.13 0.53 0.45 0.28 20123 39 0 0.52 23 0.78 0.78 2.27 1.000 3_0004 6 0.49 -0.49 0.00 0.92 0.69 0.15 35320 38 0 0.49 30 0.78 0.78 2.27 1.000 4_0005 9 0.29 -0.18 0.03 0.48 0.27 0.41 33948 41 11 0.51 26 0.78 0.78 2.27 1.000 5_0006 13 0.34 -0.20 0.15 0.78 0.30 0.39 84672 88 0 0.61 25 0.78 0.78 2.27 1.000 6_0007 9 0.27 -0.27 0.08 0.67 0.35 0.24 49365 73 11 0.64 32 0.78 0.78 2.27 1.000 7_0008 7 0.20 -0.19 0.08 0.39 0.27 0.17 26084 41 0 0.74 28 0.78 0.78 2.27 1.000 8_0009 15 0.26 -0.20 0.09 0.89 0.27 0.19 65883 73 0 0.71 32 0.78 0.78 2.27 1.000 9_0010 5 0.03 -0.15 0.20 0.06 0.16 0.22 101577 116 0 0.77 24 0.78 0.78 2.27 1.000 10_0011 11 0.24 -0.17 0.06 0.44 0.30 0.12 11904 24 0 0.63 27 0.78 0.78 2.27 1.000 11_0012 8 0.11 -0.11 -0.06 0.48 0.13 0.45 38917 55 13 0.65 27 0.78 0.78 2.27 1.000 12_0013 7 0.29 -0.06 0.07 0.44 0.25 0.13 16045 34 0 0.66 37 0.78 0.78 2.27 1.000 13_0014 12 0.12 -0.10 0.13 0.27 0.18 0.19 91073 82 0 0.73 28 0.78 0.78 2.27 1.000 14_0015 9 0.34 -0.11 0.06 0.59 0.15 0.14 13931 30 0 0.63 26 0.78 0.78 2.27 1.000 15_0016 5 0.12 -0.19 0.16 0.17 0.21 0.19 51590 62 0 0.78 29 0.78 0.78 2.27 1.000 16_0017 10 -0.02 -0.05 0.00 0.86 0.28 0.27 44391 50 10 0.64 26 0.78 0.78 2.27 1.000 17_0018 9 -0.07 -0.10 0.06 0.23 0.13 0.15 80086 85 0 0.73 30 0.78 0.78 2.27 1.000 18_0019 13 0.45 -0.13 -0.04 0.64 0.35 0.45 28063 39 0 0.69 26 0.78 0.78 2.27 1.000 19_0020 10 0.36 -0.14 -0.11 0.79 0.32 0.39 43807 61 0 0.77 31 0.78 0.78 2.27 1.000 Background pixels updated = 92.23% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 13 0.14 -0.03 0.01 0.35 0.20 0.22 31328 49 0 0.65 26 0.78 0.78 2.27 1.000 21_0022 5 0.17 -0.09 0.09 0.38 0.14 0.16 16801 34 0 0.61 28 0.78 0.78 2.27 1.000 22_0023 9 0.20 -0.04 0.17 0.29 0.23 0.23 76894 63 0 0.74 28 0.78 0.78 2.27 1.000 23_0024 9 0.51 0.10 -0.14 0.88 0.32 0.34 71651 60 0 0.73 30 0.78 0.78 2.27 1.000 24_0025 7 0.19 0.00 0.11 0.53 0.07 0.13 36996 48 0 0.69 29 0.78 0.78 2.27 1.000 25_0026 5 -0.04 0.03 0.20 0.28 0.05 0.22 37050 42 0 0.59 24 0.78 0.78 2.27 1.000 26_0027 11 0.40 0.01 -0.00 0.89 0.24 0.20 25032 39 0 0.74 28 0.78 0.78 2.27 1.000 27_0028 7 0.24 -0.02 0.02 0.29 0.18 0.13 22277 35 0 0.66 28 0.78 0.78 2.27 1.000 I/Sigma = 66.71 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.069 Region 1 Sum = 19848.5; Maximum = 211.086; FM = 0.727 !Region 1: Section 1->3 0 3 1 1 0 0 0 0 0 3 17 7 3 2 1 1 1 0 9 35 20 10 4 2 1 1 1 1 2 1 0 0 0 1 0 0 6 14 8 4 2 1 1 1 0 17 41 28 14 6 3 2 1 1 1 2 1 0 1 1 1 0 0 7 18 11 5 3 2 2 1 0 21 60 44 23 10 5 3 2 1 1 2 1 1 1 1 0 0 0 6 17 11 5 3 2 1 1 1 19 55 42 23 10 4 2 2 1 1 1 1 1 0 0 0 0 0 5 13 9 5 2 1 1 1 1 20 54 45 28 13 5 2 2 1 0 1 1 1 0 0 0 0 0 5 14 12 6 3 1 1 1 1 17 52 46 27 13 5 3 2 1 0 1 1 0 0 0 0 0 0 4 11 8 4 2 1 1 1 0 14 40 33 19 9 4 2 1 1 0 1 0 0 0 0 0 0 0 3 7 6 3 2 1 1 1 0 12 32 27 17 8 4 2 1 1 0 0 0 0 0 0 0 0 0 1 4 1 1 1 0 0 0 0 3 10 6 4 2 1 0 0 0 !Region 1: Section 4->6 8 32 27 16 9 7 4 1 1 3 15 20 17 13 15 9 3 1 1 4 8 11 14 15 9 4 1 18 52 49 36 21 12 5 2 1 10 37 56 59 46 32 15 5 1 3 14 31 42 42 36 20 8 2 24 79 75 56 34 18 8 3 1 12 47 70 77 65 45 22 8 2 4 14 34 50 55 49 29 13 3 23 73 76 63 44 26 12 4 1 13 51 83100 95 69 34 11 2 4 19 44 67 77 65 36 14 3 24 80 81 67 45 25 12 5 1 13 49 73 88 88 67 36 13 3 4 14 32 58 78 77 45 20 5 21 74 79 67 49 28 14 6 2 12 47 76 98 98 74 42 17 4 3 14 37 62 78 73 47 22 6 17 54 57 52 38 23 11 4 1 9 32 56 79 80 62 35 13 3 3 10 27 52 64 63 41 19 5 15 46 47 39 27 17 8 3 1 7 24 36 48 49 44 27 12 3 2 5 14 28 40 47 35 20 6 3 11 13 15 14 6 3 1 0 2 7 17 32 34 15 7 3 1 1 3 11 22 25 14 8 5 1 !Region 1: Section 7->9 0 1 2 5 8 8 5 3 1 0 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 1 2 5 10 15 16 11 6 2 0 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 1 3 6 13 21 24 18 10 3 0 0 1 2 3 4 4 4 1 0 0 0 0 0 0 0 0 0 1 3 6 13 21 23 16 9 3 0 0 1 1 2 3 4 4 1 0 0 0 0 0 0 0 1 0 1 2 6 16 29 35 25 15 4 0 1 1 2 3 5 5 5 1 0 0 0 0 0 0 0 1 0 1 2 6 13 23 29 23 15 5 0 0 1 1 3 4 6 5 2 0 0 0 0 0 0 0 1 0 1 2 4 10 18 24 21 14 4 0 0 1 1 2 3 5 5 2 0 0 0 0 0 0 1 1 0 0 1 3 6 13 21 21 16 6 0 0 1 1 2 4 5 6 2 0 0 0 0 0 0 1 1 1 0 0 1 3 4 5 5 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 I/Sigma = 209.19 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.046 Region 2 Sum = 214345; Maximum = 3099.69; FM = 0.891 !Region 2: Section 1->3 0 0 0 1 1 1 0 0 0 0 1 3 4 4 5 3 1 0 1 3 6 10 10 10 7 2 0 0 1 1 1 1 1 1 0 0 1 4 7 9 11 8 6 3 1 3 10 17 26 31 24 14 6 1 0 0 1 1 1 1 1 0 0 1 3 7 10 11 8 6 2 0 2 8 19 34 37 27 15 5 1 0 0 0 1 1 1 1 0 0 1 3 6 9 10 8 5 2 0 2 9 20 31 36 29 16 4 1 0 0 0 1 1 1 0 0 0 1 3 5 7 9 8 4 1 0 2 8 18 29 36 30 15 3 1 0 0 0 0 0 0 0 0 0 1 2 4 6 7 5 2 1 0 1 6 15 25 30 23 9 2 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 3 1 0 0 2 6 13 21 23 14 5 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 1 3 7 14 15 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 4 3 2 1 0 0 !Region 2: Section 4->6 1 3 8 15 18 18 9 3 0 0 2 6 15 22 21 9 2 0 0 1 2 7 11 10 4 1 0 3 9 20 42 58 45 23 8 2 1 4 14 40 60 45 22 8 2 0 2 6 19 29 21 10 4 1 2 10 33 71 81 58 29 9 1 1 8 32 77 93 67 33 10 2 1 3 14 37 49 36 17 6 1 3 13 40 70 82 64 32 8 1 2 12 44 82100 77 38 10 1 1 6 23 45 57 43 21 6 1 2 14 40 67 82 71 36 8 1 2 15 47 79 97 83 41 10 2 1 8 26 43 54 45 24 7 1 2 12 37 64 77 60 25 6 1 2 14 44 78 99 79 37 10 2 1 9 24 45 61 49 26 9 2 2 8 24 48 56 37 14 4 1 1 7 26 54 68 47 19 6 1 1 5 16 31 39 29 15 6 1 1 3 12 30 37 23 9 3 1 0 3 13 35 45 31 15 6 2 0 3 9 20 28 23 14 7 2 1 2 5 8 6 4 1 0 0 0 1 4 9 7 5 2 1 0 0 1 3 6 6 5 2 1 0 !Region 2: Section 7->9 0 0 1 1 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 5 7 5 3 1 0 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 13 9 4 2 0 0 0 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 15 18 12 6 2 0 0 1 3 5 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 3 9 16 18 14 9 4 1 0 2 4 6 6 4 3 1 0 0 0 0 0 0 0 0 0 0 1 4 9 16 21 16 9 4 1 0 2 4 5 6 4 2 1 0 0 0 0 0 0 0 0 0 0 1 4 8 13 14 12 7 4 1 0 2 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 3 6 9 13 13 9 5 1 0 1 3 4 4 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 1 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 136.42 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.135 Region 3 Sum = 91334.5; Maximum = 1484.82; FM = 0.851 !Region 3: Section 1->3 0 0 0 0 1 1 0 0 0 0 1 1 2 4 4 2 1 0 0 1 3 5 8 8 5 4 1 0 0 0 0 0 1 0 0 0 1 2 3 3 4 5 3 2 1 1 4 7 11 14 16 12 8 2 0 0 0 0 0 0 0 0 0 1 1 2 3 4 4 3 1 0 1 3 6 13 18 18 12 7 2 0 0 0 0 0 0 0 0 0 1 2 2 3 4 4 2 1 0 1 3 7 13 17 17 12 7 2 0 0 0 0 0 0 0 0 0 1 1 2 3 3 3 1 1 0 1 3 6 13 17 17 11 6 1 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 0 0 1 3 5 11 17 17 9 4 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 1 2 4 10 14 11 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 3 5 7 6 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 3 2 1 0 0 !Region 3: Section 4->6 0 1 5 13 16 14 10 7 2 0 1 5 15 18 15 11 8 2 0 1 2 6 8 7 6 5 1 1 3 10 24 36 40 32 20 6 0 2 9 26 43 48 40 25 7 0 1 4 11 19 24 22 14 4 1 3 13 39 56 53 36 21 6 0 3 14 45 72 73 53 29 7 0 1 6 19 36 41 33 18 5 1 4 16 38 56 57 40 22 5 0 3 18 49 84 86 60 31 7 0 2 8 26 53 55 38 18 4 1 4 15 39 59 62 41 19 4 1 4 21 58 94 97 62 26 5 0 3 13 38 63 63 38 14 3 1 4 16 39 63 66 39 14 2 1 6 26 64100 98 57 18 3 1 5 20 44 65 60 34 11 2 1 4 13 38 56 46 20 6 1 1 6 25 61 85 69 33 9 1 1 6 21 40 53 45 23 7 1 1 3 8 18 30 24 11 3 1 1 5 17 35 50 39 19 5 1 2 6 16 27 35 28 14 4 1 0 1 3 6 13 11 5 2 0 0 2 6 12 20 17 8 3 1 1 2 6 9 13 11 6 3 0 !Region 3: Section 7->9 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 3 4 4 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 6 9 7 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 13 15 9 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 17 16 10 4 1 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 7 12 17 16 9 4 1 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 8 11 14 15 10 4 1 0 1 2 2 3 4 3 2 0 0 0 0 0 0 0 0 0 0 1 4 7 9 12 12 8 3 1 0 1 2 2 3 4 3 2 0 0 0 0 0 0 0 0 0 0 0 2 3 3 4 4 4 2 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 44.23 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.263 Region 4 Sum = 10676.4; Maximum = 153.7; FM = 0.663 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 0 4 13 13 13 8 5 2 1 0 0 1 0 0 0 0 0 0 0 1 3 2 2 2 1 1 1 0 9 27 32 27 18 9 3 1 1 0 1 0 0 0 0 0 0 0 1 3 2 2 1 1 1 0 0 8 21 28 24 18 9 3 1 0 1 1 1 0 0 0 0 0 0 2 2 2 1 0 1 1 0 0 6 17 23 20 15 9 3 1 0 1 1 0 0 0 0 0 0 0 1 2 1 0 1 1 1 0 0 4 12 17 16 12 7 4 2 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 2 7 9 10 9 5 2 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 0 2 4 5 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 3 3 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Region 4: Section 4->6 8 36 41 39 28 15 7 2 0 6 31 39 36 31 18 9 3 0 1 7 11 11 14 11 6 2 1 24 73100 88 60 30 12 3 1 20 63 91 86 68 41 19 6 2 5 14 22 27 31 28 16 6 1 19 58 91 84 67 36 13 4 1 15 52 86 88 81 52 23 8 2 4 13 23 30 40 38 22 9 2 14 46 79 75 63 40 16 5 1 10 40 78 83 81 62 28 10 2 2 10 22 31 43 47 27 12 3 8 30 59 63 54 37 17 5 1 6 27 61 74 73 63 32 10 2 1 7 18 28 40 51 32 15 4 5 19 34 41 42 31 15 5 1 4 18 38 50 62 57 32 11 3 1 6 12 20 38 50 36 18 5 4 10 19 24 28 23 14 5 1 3 10 22 31 45 45 29 12 2 1 3 8 13 29 42 35 20 5 3 6 11 14 18 16 10 4 1 2 6 12 19 30 31 22 10 3 1 2 4 9 20 31 29 20 6 1 3 3 4 5 6 4 2 0 1 2 4 6 7 12 8 6 1 0 0 1 3 6 11 11 9 2 !Region 4: Section 7->9 0 0 1 2 3 4 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 11 8 4 1 0 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 2 2 5 10 15 12 7 2 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 12 19 16 9 3 0 1 1 0 1 3 4 3 1 0 0 0 0 0 0 1 1 0 0 1 2 4 11 23 20 12 3 0 0 1 0 1 4 5 3 1 0 0 0 0 0 0 1 1 0 0 1 1 3 12 24 23 15 4 0 0 0 0 1 4 5 4 1 0 0 0 0 0 0 0 0 0 0 1 1 3 10 22 24 17 5 0 0 0 1 2 4 6 5 2 0 0 0 0 0 0 0 0 0 0 1 1 3 8 17 22 18 6 0 0 0 1 2 3 6 5 2 0 0 0 0 1 0 0 0 0 0 0 0 1 3 6 9 8 2 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 31.59 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.393 Region 5 Sum = 4603.52; Maximum = 65.4108; FM = 0.673 !Region 5: Section 1->3 0 0 0 0 1 0 0 0 0 3 3 1 1 1 0 0 0 0 10 14 8 4 2 1 0 0 1 0 -1 0 1 2 1 0 1 0 10 8 3 2 3 1 1 1 0 32 35 18 12 6 2 1 1 0 0 0 0 0 1 0 -1 0 0 10 12 4 1 2 0 0 1 0 34 46 22 12 8 3 2 2 0 0 0 0 1 0 1 0 0 -1 9 12 5 3 2 1 1 0 0 29 44 21 13 8 4 2 1 1 0 -1 0 0 1 2 2 0 -1 8 8 5 1 2 2 2 0 0 25 32 20 11 7 3 2 1 1 0 0 0 0 0 1 0 -1 0 5 6 3 1 1 1 0 0 0 15 21 14 9 4 1 0 1 1 0 -1 -1 0 0 0 -1 0 0 4 4 1 0 0 0 -1 0 0 11 14 8 5 2 -1 0 0 0 -1 -1 -1 0 0 0 -1 0 0 1 2 1 1 1 0 0 0 0 5 10 5 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 2 5 2 1 1 1 0 0 0 !Region 5: Section 4->6 14 20 17 10 4 2 1 0 1 8 14 18 17 17 12 6 3 1 2 6 11 17 25 18 10 6 2 35 52 36 28 15 6 3 1 0 19 38 41 47 44 27 16 7 2 7 14 27 46 56 41 26 13 3 37 62 42 31 19 8 4 2 0 20 42 45 59 60 40 25 12 2 8 17 31 60 79 61 42 23 4 32 60 37 28 18 9 5 2 1 18 41 40 59 71 57 34 16 3 7 15 27 64100 89 54 28 7 24 42 34 27 16 8 6 3 1 10 29 38 56 68 61 38 18 4 3 10 26 62 98 96 61 32 8 14 25 24 21 10 6 4 2 1 5 15 26 42 53 55 37 16 4 2 5 18 46 79 89 61 29 7 9 15 13 13 7 3 3 2 1 3 9 14 28 41 43 31 16 4 2 5 11 31 61 71 51 27 7 4 11 8 8 5 2 2 1 0 2 6 8 13 22 31 23 11 2 1 4 6 13 33 53 39 20 5 2 5 2 2 2 2 0 0 0 1 2 2 4 8 9 7 2 0 0 1 1 5 12 14 13 5 1 !Region 5: Section 7->9 1 2 3 6 10 8 5 4 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 2 3 8 16 21 17 13 8 2 1 1 0 0 1 2 3 2 1 1 1 1 0 1 2 1 0 0 2 4 10 22 30 25 20 13 3 1 2 1 1 1 2 3 2 1 1 1 0 0 1 1 0 0 1 2 3 8 23 38 36 24 15 5 1 0 0 1 1 2 2 1 1 0 0 -1 0 0 1 -1 -1 0 0 2 8 22 38 40 27 18 4 0 0 0 0 1 3 2 2 0 0 0 -1 -1 0 1 -1 0 -1 1 1 5 16 31 38 29 16 4 0 1 0 0 1 3 3 4 1 0 0 0 -1 1 1 0 1 0 1 2 4 11 23 29 22 14 4 0 0 1 1 1 1 2 2 1 0 0 0 0 1 0 0 0 0 1 2 2 5 13 22 17 10 3 0 1 0 1 1 1 1 2 0 0 1 0 1 0 0 0 0 0 0 0 1 2 5 5 6 3 1 0 0 0 1 0 -1 1 1 0 0 0 0 1 0 -1 0 0 0 I/Sigma = 21.38 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 6 Sum = 2398.93; Maximum = 34.0715; FM = 0.658 !Region 6: Section 1->3 0 0 -1 -2 0 0 -1 -1 0 0 0 0 -2 -1 0 0 -1 0 3 5 6 3 -1 0 1 0 0 -1 -1 -1 -1 0 0 -1 -1 -1 1 0 0 -1 0 0 1 0 -1 9 11 10 5 0 0 2 0 0 0 -1 0 0 -1 -1 -1 0 -1 1 1 1 0 -1 -2 0 0 -1 8 15 15 8 3 0 1 0 -1 1 2 1 1 0 -2 0 -1 0 3 6 3 1 1 -2 0 1 0 14 26 17 8 5 0 1 3 0 1 2 0 0 1 -1 -1 0 0 3 7 1 0 2 -2 -1 1 1 11 25 14 7 6 -1 2 2 1 -1 -1 0 -1 0 0 -1 0 0 2 3 3 -1 1 0 -1 3 1 10 23 18 6 4 1 2 3 0 -1 0 0 -1 0 -1 0 1 0 0 3 1 -2 0 -1 0 1 0 7 16 9 1 3 0 -1 2 -1 0 0 1 -1 0 -1 0 -1 0 0 1 2 -1 -1 -1 -1 -3 -1 3 8 5 0 1 0 1 -3 -2 0 0 0 0 -1 -1 -1 0 0 0 2 0 -1 -1 -2 -1 -1 0 1 4 1 -1 -1 -1 -1 -2 -1 !Region 6: Section 4->6 7 13 16 15 6 4 2 0 0 6 15 22 27 17 13 7 1 0 3 10 15 19 16 13 9 2 1 17 36 38 28 13 9 7 1 1 18 52 71 61 45 36 23 5 1 9 31 53 53 52 42 27 11 2 19 47 53 39 21 12 8 2 0 21 68 91 83 64 49 29 10 2 10 38 60 69 70 61 37 18 4 29 61 61 44 25 13 8 5 2 28 73100 95 73 52 29 12 4 12 38 63 80 78 66 41 23 7 24 56 53 40 25 11 10 3 1 25 65 88 86 71 50 33 10 3 13 34 57 74 81 68 46 18 4 19 46 52 30 18 10 7 3 -1 18 49 72 63 54 38 25 9 1 8 22 42 57 65 51 37 15 2 14 30 28 15 13 6 2 2 -1 12 29 40 34 36 28 17 3 0 4 12 24 31 44 39 27 6 0 7 17 16 10 8 3 4 -2 -2 7 19 23 20 21 17 10 3 0 4 11 13 16 26 28 16 7 2 2 6 3 2 2 1 1 -1 -1 2 7 4 5 6 5 4 1 0 2 4 2 4 9 8 5 2 0 !Region 6: Section 7->9 1 3 5 5 6 5 5 2 1 0 0 1 2 2 0 1 0 0 0 -1 0 2 2 -1 -1 -1 -1 2 7 14 16 22 18 11 10 2 -1 0 2 3 3 2 1 4 1 -1 -2 1 2 0 -1 -1 1 0 1 5 12 17 27 28 19 15 5 -1 -1 0 -1 1 5 2 5 2 -1 -2 -1 0 -1 1 -2 1 0 3 7 12 22 27 31 26 21 6 0 1 1 1 1 6 7 7 2 -1 -1 -1 -1 0 2 0 0 0 4 7 12 22 32 32 27 14 2 1 1 -1 -1 1 4 5 3 0 -1 0 -2 -3 0 0 0 0 0 2 2 8 18 27 25 21 9 2 0 0 0 -1 2 2 2 1 2 -1 0 -2 -2 0 -1 -2 0 2 0 0 6 9 19 18 15 4 -1 -2 -2 0 -2 -1 1 1 -1 0 -2 -2 -1 -2 -3 -1 -1 0 0 1 2 2 4 12 15 12 4 2 -1 -3 -2 -1 -1 -1 2 0 1 -1 -3 -2 -1 -2 -2 -1 -2 1 1 1 0 1 4 4 3 0 0 2 1 -1 0 0 0 0 -2 0 2 0 -1 0 0 0 0 -1 1 I/Sigma = 25.65 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 2659.33; Maximum = 43.849; FM = 0.626 !Region 7: Section 1->3 0 0 0 -1 -1 0 -1 1 0 1 0 1 0 -1 0 0 0 0 5 4 2 3 1 0 0 0 0 1 -1 -1 0 -1 -1 -2 1 1 3 1 0 0 0 0 -1 1 0 12 13 4 3 3 1 0 -1 0 1 0 -1 0 -1 -2 -1 1 0 6 4 1 -1 -1 -1 0 1 0 22 22 9 0 1 1 3 2 0 0 1 1 1 1 0 -1 1 0 5 7 3 0 1 0 0 1 0 25 29 14 2 3 2 2 2 -1 0 1 -1 1 0 0 1 -1 0 6 8 2 2 1 2 2 0 0 26 36 14 3 5 3 2 0 0 0 0 0 0 0 -1 0 0 0 6 7 5 2 1 1 1 1 0 29 36 19 6 4 4 2 2 0 0 0 1 0 0 1 -1 -1 1 5 6 3 1 1 1 0 0 0 26 25 12 4 2 2 2 2 0 0 1 -1 0 1 0 0 0 -1 3 5 0 1 1 1 0 0 -1 11 16 6 2 1 2 1 0 -1 0 0 -1 -1 1 0 0 0 -1 0 2 -1 0 0 1 0 0 -1 1 5 2 1 0 0 0 -1 0 !Region 7: Section 4->6 6 9 7 5 4 1 0 -1 0 3 8 12 12 15 13 5 2 0 1 3 10 18 28 24 10 5 0 16 23 14 10 10 7 3 0 0 8 20 24 31 38 32 15 7 2 3 10 25 48 65 53 27 15 5 27 35 21 10 10 7 5 3 0 14 27 33 44 48 36 18 8 2 6 15 35 71 80 64 33 15 4 32 47 32 16 13 7 4 2 0 17 37 49 56 59 36 18 9 3 4 18 48 85100 66 36 19 6 36 55 35 16 16 9 4 1 0 22 44 49 54 52 31 19 7 3 7 23 42 77 84 50 36 16 6 42 58 37 17 13 8 3 2 0 27 46 46 46 41 24 14 4 0 9 22 39 64 65 40 27 9 2 34 39 24 13 9 6 2 2 1 18 32 32 37 32 16 6 4 2 5 16 28 49 49 26 11 8 3 16 24 13 7 5 4 1 0 0 10 20 16 22 17 9 2 1 1 4 10 14 30 27 13 5 5 2 2 9 5 4 1 1 0 -1 -1 1 8 6 8 6 3 1 0 -1 1 5 5 11 11 6 2 1 0 !Region 7: Section 7->9 0 0 3 8 14 11 5 2 0 0 -1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 10 21 29 24 14 8 3 0 -1 1 0 -1 0 0 1 1 0 -1 0 0 -1 -1 -1 1 0 2 4 13 33 36 29 16 8 2 -1 -1 -1 1 1 0 0 0 1 -1 -1 -1 0 0 0 -1 0 1 0 4 17 37 47 32 19 11 4 -1 -2 -2 0 1 1 1 1 1 -1 -1 -1 0 -1 0 0 1 1 1 6 13 33 40 23 19 10 4 -1 0 -2 0 1 0 2 3 2 -1 -1 -1 0 -1 -1 0 1 2 2 5 13 28 30 18 14 6 1 0 1 0 0 0 -1 1 1 1 0 0 0 0 -1 0 0 0 1 1 4 10 20 22 12 6 4 2 0 1 1 1 1 0 0 0 0 -1 0 1 1 0 0 -1 -1 0 0 3 5 13 12 6 4 3 1 -1 0 1 0 1 0 2 0 0 -1 0 0 0 0 1 2 -1 0 0 1 2 5 5 3 1 0 0 0 0 1 1 0 0 0 -1 0 0 0 1 0 0 0 0 -1 0 I/Sigma = 45.84 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.176 Region 8 Sum = 9517.68; Maximum = 139.693; FM = 0.553 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 7 5 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 9 16 10 5 3 1 0 0 0 0 1 1 1 1 0 0 -1 0 1 2 1 1 2 1 0 0 0 10 20 13 6 5 2 1 1 0 0 0 0 0 0 0 1 0 0 2 2 1 1 1 1 1 0 0 14 27 19 10 6 3 1 1 0 0 0 0 0 0 -1 0 0 0 2 3 2 1 0 0 0 0 0 18 34 26 14 6 2 1 0 0 0 1 0 1 0 0 0 0 0 3 4 2 1 1 0 1 1 0 23 44 30 16 7 2 1 1 1 0 1 1 1 0 -1 0 0 0 3 5 3 1 0 0 0 0 0 28 52 34 17 6 2 1 0 1 0 1 1 0 0 0 0 0 0 3 5 2 1 0 0 0 1 1 27 50 33 16 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 9 25 12 8 3 0 1 0 0 !Region 8: Section 4->6 3 14 11 5 5 2 1 0 0 3 9 12 12 16 8 4 1 0 1 3 9 15 25 12 8 3 1 17 33 23 14 11 6 2 1 0 11 24 27 29 32 24 11 4 1 3 8 22 38 50 40 19 8 2 20 42 31 21 15 9 4 2 0 14 32 34 40 41 30 14 6 1 4 11 24 47 61 48 23 9 2 26 57 46 30 20 10 4 2 1 18 43 46 50 49 32 14 6 2 5 15 28 55 68 51 24 12 3 34 73 60 41 22 9 4 1 1 23 55 56 57 50 32 15 6 2 6 17 30 53 68 53 26 12 4 45 91 69 42 21 8 3 2 1 29 64 59 53 43 27 13 5 1 6 17 27 45 56 46 23 10 4 51100 73 39 17 6 2 1 1 30 63 55 43 32 19 9 4 1 6 14 21 33 41 34 18 9 3 47 94 67 35 13 4 1 1 1 27 55 46 34 20 12 7 3 1 5 11 16 24 24 22 14 8 2 14 44 23 15 7 1 1 1 0 6 24 16 15 7 4 3 2 0 1 5 5 11 7 7 6 3 1 !Region 8: Section 7->9 0 1 4 8 13 7 5 3 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 9 19 26 22 12 6 2 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 10 23 32 27 13 6 2 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 2 4 10 25 34 28 15 8 2 1 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 9 22 35 30 16 8 3 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 1 4 8 18 28 26 14 7 3 0 1 1 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 1 3 7 13 21 20 11 6 2 0 0 1 0 0 1 1 1 0 0 0 0 -1 -1 -1 0 0 0 1 2 5 9 12 13 9 6 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 4 3 5 4 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 137.26 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.069 Region 9 Sum = 95134.4; Maximum = 1496.89; FM = 0.789 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 4 6 6 4 2 1 0 0 0 0 1 1 0 0 0 0 0 0 3 6 5 3 1 1 0 0 0 9 20 20 14 7 3 1 1 0 0 1 1 0 0 0 0 0 0 3 8 8 5 2 1 1 0 0 13 28 33 26 17 8 2 1 0 0 1 1 0 0 0 0 0 0 3 9 9 7 4 2 1 0 0 14 31 41 38 30 17 6 2 0 0 1 1 0 0 0 0 0 0 2 6 8 6 4 2 1 0 0 11 26 40 41 41 26 12 4 1 0 0 0 0 0 0 0 0 0 1 4 5 5 4 2 1 0 0 7 18 32 39 43 33 18 6 1 0 0 0 0 0 0 0 0 0 1 2 3 4 3 2 1 0 0 4 11 19 25 32 29 20 8 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 2 6 12 15 17 17 13 6 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 4 5 6 5 3 2 0 !Region 9: Section 4->6 6 9 9 5 3 1 1 0 0 3 5 7 5 3 2 1 0 0 0 2 3 4 4 2 1 0 0 15 31 34 26 14 6 2 1 0 9 19 23 20 13 6 2 1 0 2 5 8 9 8 5 2 1 0 23 47 60 51 36 17 5 2 0 15 33 42 41 29 16 5 2 0 4 11 14 18 14 10 5 2 0 27 55 77 78 66 39 14 4 1 18 42 61 67 54 33 12 4 1 5 17 24 31 24 16 8 3 1 21 49 79 93 95 64 30 9 1 15 39 65 88 81 55 24 8 1 4 15 27 46 36 26 12 5 1 14 34 64 86100 81 44 16 2 8 25 49 79 87 71 36 14 2 2 9 19 38 41 35 17 8 2 7 20 37 52 72 69 47 19 3 4 12 26 44 62 60 36 16 3 1 3 9 20 29 29 15 8 3 3 11 21 29 36 39 30 15 3 2 6 13 21 30 33 23 13 3 0 1 3 8 14 16 10 7 2 1 3 6 9 12 11 7 4 1 1 2 4 6 9 9 6 4 1 0 1 1 2 3 5 4 3 1 !Region 9: Section 7->9 0 1 1 2 2 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 4 3 3 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 5 4 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 6 8 8 6 4 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 6 11 10 9 5 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 9 11 11 7 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 9 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 3 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 2 2 1 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 6.4601 0.8871 13.708 120.687 Orientation ('UB') matrix: 0.1442032 0.0359055 -0.0039255 0.0306963 -0.0026778 0.0771671 0.0661233 -0.0770603 -0.0045105 A B C Alpha Beta Gamma Vol 6.2340 11.7568 13.0147 90.000 96.909 90.000 946.95 0.0010 0.0008 0.0011 0.000 0.008 0.000 0.24 Corrected for goodness of fit: 0.0036 0.0030 0.0041 0.000 0.031 0.000 0.92 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.217 96.217 24.308 Goniometer zeros (deg): 0.0000* 0.0260 0.0000* -0.0008 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.5521 -0.2077 0.0792 -0.2204 -0.1796 0.7941 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.56334e+04 8.24651e+03 3.82 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 179 Average input ESD (pix, pix, deg): 0.17780 0.12846 0.25709 Goodness of fit: 4.26241 4.02915 2.72753 Average missing volume: 0.046 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:25:07 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.75% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 2_0003 6 -0.08 -0.07 0.02 0.28 0.07 0.07 6437.5 20 0 0.52 23 0.78 0.78 2.27 1.000 3_0004 8 0.37 -0.32 -0.01 0.69 0.45 0.14 44724 53 0 0.67 28 0.78 0.78 2.27 1.000 4_0005 10 0.10 -0.07 0.09 0.38 0.15 0.15 32448 40 10 0.53 29 0.78 0.78 2.27 1.000 5_0006 10 0.49 -0.04 -0.13 1.17 0.33 0.40 103456 100 0 0.65 22 0.78 0.78 2.27 1.000 6_0007 13 -0.03 -0.07 0.09 0.21 0.12 0.14 44117 67 8 0.63 30 0.78 0.78 2.27 1.000 7_0008 6 0.03 -0.01 0.05 0.18 0.10 0.08 31637 47 0 0.81 31 0.78 0.78 2.27 1.000 8_0009 11 0.26 -0.01 -0.05 0.86 0.10 0.24 56152 63 0 0.73 29 0.78 0.78 2.27 1.000 9_0010 9 -0.03 -0.10 0.12 0.13 0.15 0.14 103835 115 0 0.78 30 0.78 0.78 2.27 1.000 10_0011 9 0.03 -0.03 0.04 0.12 0.08 0.13 11125 22 0 0.54 27 0.78 0.78 2.27 1.000 11_0012 11 0.17 -0.09 -0.08 0.38 0.18 0.29 32629 48 9 0.66 26 0.78 0.78 2.27 1.000 12_0013 7 0.11 0.02 0.02 0.28 0.13 0.11 17036 35 0 0.64 36 0.78 0.78 2.27 1.000 13_0014 11 0.04 -0.02 0.01 0.18 0.08 0.08 101717 88 0 0.72 27 0.78 0.78 2.27 1.000 14_0015 8 0.27 -0.08 -0.07 0.49 0.12 0.32 11984 29 0 0.69 27 0.78 0.78 2.27 1.000 15_0016 7 0.05 -0.10 0.07 0.10 0.12 0.10 45930 59 0 0.74 29 0.78 0.78 2.27 1.000 16_0017 9 0.02 -0.05 0.26 0.35 0.14 0.81 32266 41 0 0.66 28 0.78 0.78 2.27 1.000 17_0018 7 -0.04 -0.02 -0.02 0.15 0.04 0.08 109511 100 0 0.75 31 0.78 0.78 2.27 1.000 18_0019 15 0.22 -0.10 -0.07 0.44 0.23 0.37 33313 47 0 0.69 25 0.78 0.78 2.27 1.000 19_0020 11 0.19 -0.05 -0.02 0.52 0.16 0.11 41702 58 0 0.78 32 0.78 0.78 2.27 1.000 Background pixels updated = 93.00% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.07 0.05 0.01 0.24 0.16 0.10 33555 51 0 0.64 27 0.78 0.78 2.27 1.000 21_0022 4 0.12 0.01 -0.06 0.23 0.07 0.09 10826 29 0 0.66 28 0.78 0.78 2.27 1.000 22_0023 9 0.07 0.03 -0.05 0.15 0.10 0.14 42151 51 0 0.74 26 0.78 0.78 2.27 1.000 23_0024 11 0.27 0.07 -0.03 0.48 0.19 0.13 93258 70 0 0.72 30 0.78 0.78 2.27 1.000 24_0025 6 0.22 0.05 -0.01 0.48 0.10 0.06 31276 42 0 0.75 29 0.78 0.78 2.27 1.000 25_0026 6 0.02 0.01 0.12 0.20 0.04 0.18 45035 51 0 0.61 24 0.78 0.78 2.27 1.000 26_0027 8 0.06 -0.00 0.01 0.14 0.13 0.11 32211 46 0 0.80 29 0.78 0.78 2.27 1.000 I/Sigma = 61.32 Thresh = 0.020 Blend = F #Contributing = 50 InitialProfileWt = 0.069 Region 1 Sum = 19155.4; Maximum = 213.539; FM = 0.749 !Region 1: Section 1->3 2 2 1 0 0 0 0 0 0 8 8 6 3 1 1 1 0 0 12 18 16 10 4 2 1 1 0 1 2 1 0 0 0 0 0 0 6 8 5 3 2 1 1 1 0 13 26 23 15 7 3 2 1 0 1 1 1 0 0 0 0 0 0 7 9 7 4 2 1 1 1 0 15 33 32 23 11 4 2 1 0 1 1 1 0 0 0 0 0 0 5 7 5 4 2 1 1 1 0 13 30 31 24 12 5 3 1 0 1 1 1 0 0 0 0 0 0 4 6 5 3 2 1 1 1 0 13 32 36 28 16 7 3 1 1 1 1 1 0 0 0 0 0 0 4 6 6 4 2 1 1 1 0 11 28 32 26 14 6 2 1 0 0 1 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 9 23 25 20 12 6 2 1 0 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 1 0 8 18 20 16 9 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 7 6 5 3 1 1 0 0 !Region 1: Section 4->6 10 23 26 22 12 6 3 1 1 5 16 24 30 21 14 6 3 1 1 5 10 19 18 16 10 5 1 17 45 50 42 26 13 6 3 1 10 32 45 49 43 30 16 8 2 2 8 16 26 33 33 22 12 3 20 58 69 62 38 19 9 4 1 12 43 62 73 60 42 24 11 2 3 12 23 37 44 42 31 16 5 18 58 71 65 45 25 12 5 1 11 42 64 78 76 57 32 15 3 2 10 24 43 59 58 40 22 6 21 65 86 86 63 34 16 7 2 13 47 77100 96 71 43 19 4 2 11 26 49 64 68 52 28 8 18 56 73 72 54 32 15 6 1 12 42 67 85 88 71 42 20 4 3 11 25 45 65 71 53 30 9 15 48 62 61 48 31 15 6 1 10 34 55 72 79 67 40 19 4 2 8 19 36 56 63 47 27 8 12 37 50 51 39 23 12 5 1 7 28 45 60 64 53 34 18 3 2 7 15 29 45 51 42 26 8 4 13 14 13 11 7 4 2 1 2 8 11 16 20 15 8 6 2 0 2 3 9 14 12 8 7 3 !Region 1: Section 7->9 0 1 2 5 8 9 8 4 1 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 3 7 13 18 16 11 4 0 0 1 1 3 5 5 5 2 0 0 0 0 0 0 0 0 0 0 2 4 9 17 23 22 15 6 0 1 1 2 3 6 7 6 3 0 0 0 0 0 0 0 0 0 0 2 4 10 20 27 25 17 6 0 1 1 2 3 6 7 6 3 0 0 0 0 0 0 0 1 0 1 2 4 10 20 33 33 23 9 0 1 1 2 4 9 10 9 4 0 0 0 0 0 0 0 1 0 1 2 4 11 22 33 32 23 9 0 1 1 2 3 7 8 8 4 0 0 0 0 0 0 0 1 0 0 1 3 7 17 27 28 22 10 0 0 1 1 3 6 8 9 4 0 0 0 0 0 0 0 1 0 0 1 2 6 13 21 25 21 10 0 0 0 1 2 4 7 9 5 0 0 0 0 0 0 1 1 1 0 0 1 2 3 4 5 5 3 0 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 I/Sigma = 205.69 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.046 Region 2 Sum = 205887; Maximum = 3003.04; FM = 0.904 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 2 1 0 0 3 5 8 11 9 5 1 0 0 0 0 1 1 1 0 0 0 0 2 4 6 7 7 5 3 1 2 7 12 18 21 17 11 6 1 0 0 0 0 0 0 0 0 0 0 2 4 6 8 7 5 3 0 1 6 12 20 24 20 13 6 1 0 0 0 0 0 0 0 0 0 0 1 3 5 6 6 4 2 0 2 6 12 20 24 21 13 5 1 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 3 1 0 1 5 10 16 22 20 12 4 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 4 2 1 0 1 5 9 15 19 16 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 1 4 8 13 15 10 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 2 5 9 10 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 3 2 1 0 0 !Region 2: Section 4->6 0 2 5 10 16 12 6 4 1 0 1 3 9 17 14 6 5 1 0 0 2 6 11 10 5 3 1 4 10 18 33 44 34 18 7 1 2 5 13 34 56 47 23 9 2 0 1 5 19 35 32 16 6 1 2 8 19 42 57 47 24 9 1 1 5 19 55 83 72 35 11 2 0 2 10 36 59 52 27 8 1 3 10 26 53 67 57 31 10 1 2 7 31 75100 91 49 15 2 0 3 17 49 70 67 38 13 2 2 10 28 52 66 58 30 8 1 1 10 38 77 98 91 48 13 1 0 5 22 52 69 68 39 13 2 2 9 25 47 57 48 22 5 1 1 9 34 71 90 80 40 10 1 0 5 21 50 68 65 38 13 2 2 8 21 40 48 36 15 3 1 1 7 25 58 77 65 30 9 2 0 4 15 40 57 55 32 13 3 1 5 11 24 32 20 7 2 0 1 4 12 34 49 36 15 5 1 0 2 8 25 38 34 21 9 2 0 2 4 8 12 7 2 1 0 0 2 3 10 19 14 6 3 1 0 1 2 8 14 12 8 4 1 !Region 2: Section 7->9 0 0 1 3 5 5 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 12 11 6 2 0 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 14 23 19 11 4 1 0 0 1 4 7 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 20 28 24 14 6 1 0 0 2 6 8 5 3 1 0 0 0 0 0 0 0 0 0 0 0 2 9 23 30 27 17 7 1 0 1 4 8 9 7 4 2 0 0 0 0 0 0 0 0 0 0 0 3 10 23 30 28 19 8 2 0 2 4 8 9 7 5 2 1 0 0 0 0 1 1 0 0 0 0 3 9 19 24 24 16 8 2 0 2 4 6 7 6 4 2 1 0 0 0 0 1 0 0 0 0 0 2 7 14 20 20 14 8 2 0 1 3 6 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 8 5 4 2 1 0 0 1 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 137.87 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.118 Region 3 Sum = 93273; Maximum = 1694.28; FM = 0.85 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 0 0 0 2 3 3 4 4 3 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 2 1 0 1 3 5 7 9 10 8 5 2 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 2 1 0 1 3 5 8 10 10 8 6 2 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 1 0 1 3 5 8 10 10 8 5 2 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 1 0 1 3 5 8 11 11 7 4 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 1 3 5 9 12 10 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 2 5 8 10 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 5 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 !Region 3: Section 4->6 0 1 2 3 16 13 9 4 1 0 0 1 3 26 22 13 5 1 0 0 0 2 12 11 6 2 0 1 3 7 17 24 24 20 13 4 0 2 8 25 36 36 27 16 4 0 1 4 12 20 21 16 9 2 1 3 9 21 30 31 25 18 5 0 2 11 34 50 52 40 24 5 0 1 6 18 31 35 25 14 3 1 3 10 28 43 44 30 17 4 0 3 14 51 80 79 49 24 5 0 2 9 31 53 52 32 15 2 1 4 15 40 52 47 29 14 3 1 5 25 77100 87 47 20 3 0 4 16 49 68 59 32 13 2 1 5 16 38 50 44 23 8 1 1 8 30 71 92 81 39 13 2 1 7 22 51 66 58 28 10 1 1 5 15 35 45 35 16 5 1 1 9 29 68 82 69 31 10 1 1 9 24 48 59 51 25 8 1 1 4 11 27 34 25 9 3 1 1 8 24 55 68 52 22 6 1 1 7 20 39 48 40 19 6 1 0 1 5 5 5 4 2 1 0 0 2 9 11 12 11 7 3 0 0 2 7 10 12 13 9 3 0 !Region 3: Section 7->9 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 1 2 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 8 5 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 12 11 7 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 16 14 9 4 1 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 13 18 17 9 3 1 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 4 8 13 17 15 9 3 1 0 1 2 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 3 7 10 14 13 8 3 1 0 1 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 7 9 7 2 0 0 0 1 1 3 3 3 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 51.23 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.263 Region 4 Sum = 12979.3; Maximum = 172.678; FM = 0.758 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 0 0 0 0 5 9 6 7 4 1 0 0 0 1 1 1 1 1 0 0 0 1 4 3 2 2 2 1 1 0 3 18 21 18 13 7 3 1 0 0 1 1 1 0 0 0 0 0 1 4 3 2 1 2 1 1 0 4 19 23 20 15 7 4 2 0 0 1 1 0 0 0 0 0 0 1 4 3 1 1 1 1 1 0 3 18 22 21 15 8 4 2 0 0 1 1 0 0 0 1 0 0 1 4 3 2 2 1 1 1 0 3 14 19 19 15 8 3 2 0 0 1 0 1 1 1 1 0 0 1 3 2 2 1 1 1 1 0 2 11 14 16 13 8 4 2 0 0 1 0 0 0 0 1 1 0 1 2 1 1 0 1 2 1 0 2 6 9 11 9 6 4 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 0 0 1 4 5 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 2 2 1 0 0 !Region 4: Section 4->6 1 16 25 19 25 13 4 2 0 1 15 25 21 29 17 6 2 0 0 4 7 8 13 9 4 2 0 6 43 66 63 51 23 11 3 0 5 39 67 68 61 32 16 5 1 1 11 20 24 26 19 12 4 1 8 48 75 76 63 28 15 5 1 7 43 77 86 79 40 22 8 1 2 12 24 31 34 25 17 7 1 7 45 73 80 71 36 18 6 1 6 41 76 94 93 53 31 11 1 2 12 24 36 42 33 26 13 2 6 36 63 77 72 41 20 8 1 4 32 67 94100 66 38 16 2 1 10 23 39 49 45 35 20 3 4 24 49 67 68 43 24 9 1 3 21 54 85 98 74 47 20 2 1 7 19 37 51 55 45 26 4 2 13 33 52 53 37 25 10 1 2 13 36 68 81 67 50 22 3 1 5 14 30 45 53 49 29 5 2 8 18 31 39 30 20 8 1 2 8 22 43 64 58 43 20 2 1 3 9 20 38 48 46 28 4 1 2 6 10 16 13 8 4 0 1 2 7 14 26 25 18 10 1 0 1 3 7 16 21 19 11 2 !Region 4: Section 7->9 0 0 0 1 1 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 3 5 5 2 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 8 7 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 4 7 11 12 8 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 2 3 5 9 15 18 13 3 0 1 1 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 1 2 2 5 10 20 24 17 3 0 1 1 1 1 3 5 4 1 0 0 0 0 0 0 0 0 0 0 1 2 4 9 20 26 20 4 0 1 0 1 1 3 6 6 1 0 0 0 0 0 0 1 1 0 1 1 2 3 8 20 27 21 4 0 1 0 0 1 4 7 6 1 0 0 0 0 0 0 0 0 0 0 1 0 2 4 9 12 7 1 0 0 0 0 1 2 3 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 32.23 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.393 Region 5 Sum = 4546.52; Maximum = 64.5507; FM = 0.596 !Region 5: Section 1->3 0 0 0 1 2 1 0 0 0 1 4 1 1 2 1 1 0 0 2 14 7 4 2 2 1 0 0 0 0 1 1 1 1 0 0 0 1 7 6 3 2 1 1 0 0 4 30 23 10 5 3 1 1 0 0 1 0 0 0 1 1 1 0 1 9 7 2 1 2 2 2 0 6 36 34 14 5 5 2 2 0 0 0 0 0 0 1 1 0 0 1 9 9 4 1 1 2 0 0 6 38 40 22 8 5 4 1 0 0 0 0 0 1 0 0 0 0 1 8 9 5 3 1 1 0 0 5 36 41 26 10 7 4 1 0 0 0 -1 0 0 1 1 1 0 1 6 7 4 2 2 1 2 0 4 28 32 19 9 6 3 1 0 0 0 0 0 0 1 0 0 0 1 5 4 4 1 1 1 0 0 3 20 22 15 8 4 2 1 0 0 1 0 -1 -1 0 0 -1 0 1 4 4 2 0 1 1 0 0 2 15 17 10 5 3 1 0 0 0 0 0 -1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 5 5 2 1 1 0 0 !Region 5: Section 4->6 2 19 16 8 5 4 2 1 0 1 10 14 9 7 8 5 2 0 0 2 5 6 8 12 8 3 0 7 44 39 23 14 8 3 2 0 4 28 31 26 23 19 15 8 1 1 8 12 14 25 30 27 15 2 9 55 56 33 19 15 6 4 1 6 35 44 36 33 33 23 12 2 2 11 18 20 33 46 41 24 3 8 57 66 44 27 20 10 4 0 5 38 52 45 44 47 35 19 2 1 12 22 25 44 65 61 37 5 7 55 67 48 28 21 11 4 0 5 37 52 46 44 53 47 27 3 1 12 22 23 44 77 89 56 7 6 44 52 39 25 19 11 4 0 4 29 39 40 43 54 53 32 4 1 9 15 21 46 82100 68 9 4 30 35 28 23 16 8 4 0 3 20 26 28 38 45 46 34 4 1 7 10 16 36 70 91 72 8 3 20 23 17 15 11 5 2 0 2 12 15 15 24 32 36 26 3 1 6 6 10 23 50 75 60 8 1 7 7 7 6 4 1 1 0 1 5 5 5 8 12 13 6 0 0 2 4 4 7 17 28 15 1 !Region 5: Section 7->9 0 0 1 2 4 6 5 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 4 11 16 16 9 1 0 0 1 1 0 0 3 1 0 0 0 0 1 0 0 2 0 0 0 2 4 5 14 23 23 14 2 0 1 1 1 1 1 2 2 0 0 1 1 0 0 1 2 1 0 0 2 5 6 18 31 32 23 4 0 1 2 1 1 1 1 3 1 0 1 1 1 0 0 1 0 0 0 2 5 6 19 38 47 33 5 0 1 1 0 1 1 2 4 1 0 0 0 -1 0 0 0 1 0 0 2 3 5 20 40 53 40 5 0 0 1 0 1 1 2 3 0 0 0 0 0 0 0 1 0 0 0 3 2 4 14 35 49 43 5 0 0 0 1 0 2 3 4 1 0 -1 0 0 0 1 1 0 0 0 2 2 3 9 24 40 36 5 0 0 1 1 1 2 1 3 1 0 0 0 1 0 1 1 1 0 0 1 2 2 3 8 15 9 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 21.87 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 6 Sum = 2630.85; Maximum = 34.4968; FM = 0.804 !Region 6: Section 1->3 0 0 0 0 0 -1 1 0 0 0 1 1 1 -1 -2 1 1 0 0 2 2 4 1 0 0 1 0 0 0 -1 0 0 -1 0 0 0 0 3 0 1 0 -1 0 1 0 1 12 7 6 3 2 0 1 0 0 0 0 0 0 1 0 1 0 0 5 1 1 0 2 0 0 0 2 18 11 8 6 5 1 2 0 0 1 1 0 -1 1 0 0 0 1 6 4 3 -1 0 -1 0 0 2 22 16 13 6 3 0 -1 0 0 0 2 3 1 1 0 -1 0 1 5 5 5 1 1 1 -2 -1 2 20 18 13 8 4 3 -2 -1 0 0 0 0 1 0 0 0 0 0 3 3 1 1 0 0 -1 0 1 16 15 8 6 4 2 1 0 0 1 0 0 1 0 0 0 0 0 4 3 1 1 0 0 0 0 1 14 13 8 6 2 1 0 0 0 1 0 0 1 1 0 -1 0 0 4 0 0 1 -1 0 -1 0 1 10 6 4 3 0 1 0 0 0 1 1 0 1 0 0 0 0 0 3 3 0 1 0 0 -1 0 0 4 2 2 2 0 1 -1 0 !Region 6: Section 4->6 1 6 6 11 9 4 3 1 0 1 9 12 22 21 11 8 3 1 0 6 10 19 20 11 7 5 1 2 25 25 26 20 14 7 4 1 2 25 36 49 50 35 24 18 2 1 11 23 38 50 37 26 21 3 3 40 40 37 29 20 10 5 0 3 40 59 75 73 54 38 29 4 1 15 35 61 72 56 44 37 6 4 47 48 50 40 25 13 7 0 5 48 69 93 98 76 49 33 5 2 20 40 73 92 81 59 45 8 4 47 55 50 42 25 14 7 1 4 50 78 93100 74 52 33 5 2 20 46 71 93 82 65 43 6 3 40 45 42 37 22 14 7 1 3 42 68 82 87 63 48 28 4 1 17 42 61 78 72 58 36 6 2 30 31 34 30 15 10 5 0 1 28 43 60 64 43 34 21 3 0 11 25 40 55 48 42 28 5 2 19 21 18 16 11 8 3 0 1 17 31 33 34 31 22 13 2 1 7 18 24 33 32 24 16 3 1 5 5 8 8 4 3 0 0 0 4 11 13 16 13 7 3 0 0 2 8 8 13 13 8 4 0 !Region 6: Section 7->9 1 3 4 5 6 4 4 3 1 1 2 3 0 0 0 0 2 1 0 1 1 -1 -1 -1 -1 0 0 0 5 6 12 19 15 13 10 2 0 4 3 2 4 3 3 2 1 0 1 1 0 0 0 -1 -1 0 0 3 8 17 24 22 19 17 3 0 1 2 2 2 6 5 5 1 0 0 1 1 0 3 1 2 0 0 4 7 18 27 28 26 21 4 0 1 2 1 2 2 5 7 1 0 0 0 1 0 0 1 2 0 0 2 11 18 28 30 28 21 3 0 -1 3 0 2 2 5 8 1 0 -1 0 -1 1 -1 0 3 0 0 4 11 13 22 28 25 19 3 0 1 3 0 1 3 5 7 1 0 1 0 0 -1 -1 1 2 0 0 2 4 8 16 17 19 13 2 0 1 0 0 0 0 5 3 0 0 1 0 -1 -1 -1 1 1 0 0 2 3 5 12 10 10 7 1 0 0 0 0 1 -1 2 2 0 0 -1 0 0 -1 -1 1 1 0 0 2 2 1 3 4 4 2 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 28.67 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 3285.91; Maximum = 43.5344; FM = 0.631 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 7 3 1 2 2 0 0 0 1 0 -1 0 0 0 0 0 0 2 1 0 0 0 1 0 0 2 19 21 10 3 2 3 1 0 0 0 0 0 0 1 -1 -1 0 0 2 3 1 0 0 -1 -1 0 3 25 31 16 6 0 1 1 0 0 -1 1 2 1 0 2 0 -1 0 1 4 3 1 2 1 0 0 5 31 38 23 9 1 4 2 0 0 0 0 1 0 1 1 3 0 0 3 3 3 1 2 1 3 0 6 39 41 26 8 4 4 2 0 0 0 -1 1 0 1 1 0 0 0 3 2 3 1 1 1 0 0 7 45 42 27 12 5 4 3 0 0 -1 0 2 1 1 2 0 0 0 3 3 3 1 2 2 0 0 6 42 34 16 6 4 3 2 0 0 0 1 0 -1 1 1 1 0 0 1 3 1 0 1 1 2 0 1 16 20 9 4 2 1 2 0 0 0 1 0 -1 1 1 0 0 0 0 1 0 -1 1 1 0 0 0 1 5 4 1 1 1 0 0 !Region 7: Section 4->6 1 11 13 9 5 4 5 1 0 1 7 10 11 13 14 14 1 0 0 3 4 7 18 27 25 1 0 3 33 39 25 12 8 8 4 0 2 21 28 29 30 34 37 14 1 1 7 12 20 42 63 71 27 1 6 45 56 35 20 10 8 5 1 3 28 40 39 45 48 44 23 2 1 7 17 28 62 88 85 49 4 9 59 71 50 28 12 12 6 1 5 40 51 54 56 55 47 22 2 1 12 17 35 71100 94 44 3 10 72 79 56 27 14 13 6 1 6 50 62 58 54 50 39 20 2 2 17 25 35 60 88 70 38 4 12 81 81 55 30 15 12 5 0 7 53 62 55 51 43 32 14 1 2 15 23 32 55 71 53 29 3 11 75 61 32 17 9 8 4 0 7 50 43 32 32 30 23 9 1 2 15 14 19 36 51 39 16 1 3 32 36 20 11 5 3 2 0 2 26 29 20 18 16 11 5 0 1 10 12 13 19 28 20 8 1 0 2 11 8 3 3 1 0 0 0 3 11 9 6 6 4 2 0 0 1 5 7 8 12 7 4 1 !Region 7: Section 7->9 0 2 1 2 10 17 16 1 0 0 1 1 1 1 2 2 1 0 0 1 0 2 0 0 0 0 0 0 3 4 8 24 40 44 18 1 0 1 0 1 2 3 3 2 0 0 -1 -1 1 0 -1 -1 0 0 0 1 5 10 36 55 53 33 3 0 0 0 -1 3 6 4 4 0 0 0 -1 0 0 1 0 0 0 0 0 3 12 39 63 62 30 2 0 -1 -1 0 2 6 7 4 0 0 0 -1 0 0 0 0 1 0 0 3 5 12 31 56 45 25 3 0 -1 1 0 2 5 4 3 0 0 0 0 -1 1 0 -1 0 0 0 3 6 11 28 44 33 20 3 0 1 1 2 3 5 2 2 0 0 0 0 0 1 1 -1 0 0 0 3 3 7 18 30 24 10 1 0 1 1 2 3 3 2 0 0 0 0 -1 1 2 1 0 0 0 0 2 3 6 11 17 13 6 1 0 2 1 2 2 3 2 3 0 0 2 1 1 1 1 1 2 0 0 0 2 4 5 7 4 2 0 0 0 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 I/Sigma = 42.01 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.230 Region 8 Sum = 9274.53; Maximum = 114.677; FM = 0.65 !Region 8: Section 1->3 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 7 5 4 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 3 15 12 7 4 3 2 1 0 0 1 0 1 0 0 0 1 0 1 3 2 2 1 0 1 1 0 5 19 16 11 6 4 3 1 1 0 0 0 0 1 0 0 0 0 0 3 3 1 1 0 1 0 0 6 25 22 16 9 4 2 1 0 0 1 1 0 0 0 0 0 0 1 4 3 2 1 0 0 1 0 7 32 30 21 11 4 2 1 0 0 1 1 0 0 0 0 0 0 1 5 4 2 1 1 0 1 0 8 37 35 23 11 4 2 1 0 0 1 1 1 0 1 -1 0 0 1 6 4 2 1 1 -1 0 0 9 39 36 22 10 4 1 1 0 0 1 1 0 0 0 0 0 0 1 5 4 2 1 1 1 0 0 7 32 30 17 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 2 13 14 6 3 2 1 0 0 !Region 8: Section 4->6 3 16 13 12 8 5 3 1 0 3 12 14 15 15 14 14 5 0 1 3 6 11 19 21 26 10 1 7 34 35 26 19 14 9 3 0 6 28 37 37 38 38 31 14 2 2 9 15 25 43 55 50 25 3 10 44 49 42 28 20 12 5 1 7 36 50 54 51 51 37 18 3 2 11 20 33 51 68 55 30 5 13 60 67 58 40 24 12 5 1 10 49 67 71 67 58 38 18 3 2 14 25 39 59 72 54 30 5 17 78 89 73 46 25 11 4 1 13 64 87 83 72 55 34 16 3 3 17 29 41 60 65 49 30 5 20 90100 75 42 21 8 2 0 16 73 91 80 59 44 24 11 2 4 19 28 35 44 52 35 20 3 21 90 95 68 35 16 6 2 1 16 71 82 69 48 32 14 7 1 4 18 23 28 35 37 21 13 2 16 70 77 52 26 11 3 1 1 11 52 65 51 33 20 8 4 1 2 12 17 19 23 23 12 8 1 4 28 33 19 10 4 2 1 0 3 18 25 19 11 8 3 1 0 0 4 5 7 7 9 4 2 0 !Region 8: Section 7->9 0 1 1 5 11 13 16 6 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 3 9 23 33 30 15 2 0 1 0 1 3 5 5 3 1 0 1 0 0 0 0 0 0 0 0 3 5 11 25 37 32 19 3 0 1 1 1 3 5 6 4 1 0 1 0 0 0 0 1 0 0 0 3 5 12 26 36 30 19 3 0 1 1 1 3 4 5 4 1 0 0 0 0 0 0 0 1 0 1 3 5 10 24 31 27 19 3 0 1 1 1 2 3 5 4 1 0 0 0 0 0 0 1 0 0 1 3 4 9 17 25 20 13 2 0 1 1 2 1 2 3 3 1 0 0 0 1 -1 0 -1 0 0 1 2 3 6 13 16 12 8 2 0 0 0 1 0 1 2 1 0 0 0 0 0 -1 -1 0 0 0 0 1 2 4 9 10 8 5 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 I/Sigma = 144.68 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.090 Region 9 Sum = 106585; Maximum = 1722.89; FM = 0.889 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 1 0 0 0 3 12 16 13 8 4 2 1 0 0 0 0 0 0 0 0 0 0 1 5 6 4 2 1 1 0 0 4 17 25 23 17 9 4 1 0 0 0 0 0 0 0 0 0 0 1 4 6 5 3 2 1 0 0 4 16 27 29 25 17 9 3 0 0 0 0 0 0 0 0 0 0 1 3 4 4 3 2 1 0 0 3 12 23 28 30 24 15 6 1 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 1 0 0 2 7 15 20 27 25 19 9 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 4 8 11 16 18 18 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 2 4 6 8 9 10 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 0 !Region 9: Section 4->6 1 6 9 7 4 2 1 1 0 1 5 8 8 6 3 1 1 0 0 1 3 5 5 3 1 1 0 5 20 30 28 19 10 4 1 0 4 16 26 27 22 13 5 1 0 2 6 10 13 13 9 4 1 0 7 30 49 51 44 27 11 3 0 6 27 44 50 47 31 13 4 1 3 12 19 25 25 19 9 3 1 8 32 57 68 70 52 27 8 1 8 32 57 75 78 59 30 10 1 4 16 28 43 42 33 17 7 1 6 25 51 69 85 74 48 18 3 5 25 53 82100 87 52 20 4 2 12 27 50 59 50 26 11 2 3 15 35 52 80 79 62 29 4 3 14 34 61 93 95 66 30 5 1 6 16 36 53 58 33 16 4 2 8 20 30 46 58 56 30 6 1 7 18 32 54 71 58 31 6 1 2 7 17 32 44 28 16 4 1 3 9 16 22 28 31 19 4 1 3 8 15 24 34 32 20 5 0 1 3 6 13 21 16 10 3 0 1 2 5 6 7 6 3 0 0 1 2 4 6 8 7 4 1 0 0 1 2 3 4 4 2 1 !Region 9: Section 7->9 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 5 5 4 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 8 9 8 5 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 4 7 13 13 11 7 4 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 3 7 14 18 16 10 5 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 16 19 12 6 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 14 10 6 2 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 7 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 6.4608 0.8833 13.706 121.562 Orientation ('UB') matrix: 0.1440373 0.0359380 -0.0039254 0.0306048 -0.0027226 0.0771552 0.0661188 -0.0770294 -0.0045584 A B C Alpha Beta Gamma Vol 6.2400 11.7586 13.0152 90.000 96.871 90.000 948.11 0.0008 0.0007 0.0010 0.000 0.008 0.000 0.23 Corrected for goodness of fit: 0.0028 0.0024 0.0035 0.000 0.027 0.000 0.75 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.182 96.240 24.334 Goniometer zeros (deg): 0.0000* 0.0654 0.0000* 0.0197 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.6233 -0.2447 0.0766 -0.2204 -0.1824 0.8562 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 7.47190e+03 6.44127e+03 3.34 6 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 200 200 194 Average input ESD (pix, pix, deg): 0.17603 0.12423 0.06124 Goodness of fit: 3.88355 3.46248 2.30096 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.152 2.619 2.353 Average missing volume: 0.055 % with too much missing I: 5.208 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 2. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:25:09 Current XYZ spot size: 2.152 2.619 2.353 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): 0.301 0.303 0.335 Profile convolver halfwidth: 1.00 1.00 1.75 Background pixels updated = 92.17% 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 15 0.00 0.00 2.95 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.95 1.000 2_0003 7 -0.25 -0.10 0.16 0.49 0.17 0.17 12144 24 14 0.65 24 2.18 3.01 2.95 1.000 3_0004 8 0.35 -0.38 0.04 0.99 0.65 0.17 61620 62 0 0.70 29 3.33 4.34 2.94 1.000 4_0005 9 -0.08 -0.16 0.14 0.25 0.23 0.16 43854 48 11 0.65 30 3.30 4.52 2.94 1.000 5_0006 10 -0.05 -0.16 0.05 0.18 0.17 0.07 115718 106 0 0.76 23 3.07 4.26 3.01 1.000 6_0007 13 -0.10 -0.10 0.10 0.26 0.14 0.15 51218 72 8 0.70 31 3.02 4.36 3.20 1.000 7_0008 6 -0.06 -0.11 0.08 0.14 0.17 0.09 40798 52 0 0.84 30 2.90 4.27 3.07 1.000 8_0009 10 -0.05 -0.16 0.06 0.19 0.17 0.07 78337 77 0 0.81 32 2.88 4.26 3.05 1.000 9_0010 9 -0.06 -0.16 0.08 0.14 0.17 0.10 121430 124 0 0.83 31 2.80 4.25 3.04 1.000 10_0011 7 -0.05 -0.10 0.07 0.25 0.16 0.09 18961 27 14 0.65 28 2.86 4.32 2.99 1.000 11_0012 11 0.16 -0.08 -0.00 0.39 0.12 0.07 33163 45 9 0.69 27 2.88 4.38 2.99 1.000 12_0013 8 -0.00 -0.09 0.03 0.09 0.13 0.05 36372 53 0 0.67 35 2.83 4.36 3.03 1.000 13_0014 11 0.00 -0.11 0.02 0.14 0.12 0.05 123074 97 0 0.75 27 2.78 4.30 3.03 1.000 14_0015 7 0.38 -0.17 0.00 0.63 0.19 0.08 19420 35 0 0.80 28 2.76 4.28 3.07 1.000 15_0016 8 0.03 -0.15 0.06 0.10 0.16 0.07 61093 65 0 0.77 28 2.73 4.34 3.07 1.000 16_0017 7 0.07 0.01 0.01 0.25 0.16 0.05 51011 51 14 0.69 27 2.74 4.37 3.07 1.000 17_0018 7 0.06 -0.07 -0.02 0.30 0.08 0.05 133005 106 0 0.79 33 2.73 4.38 3.06 1.000 18_0019 15 0.02 -0.07 0.01 0.44 0.25 0.13 48689 58 0 0.76 26 2.78 4.38 3.05 1.000 19_0020 11 -0.06 -0.06 0.02 0.22 0.25 0.09 53529 66 0 0.82 31 2.86 4.43 3.05 1.000 Background pixels updated = 92.50% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 -0.03 -0.00 0.04 0.13 0.13 0.08 46428 57 0 0.74 31 2.87 4.44 3.03 1.000 21_0022 4 0.04 0.04 -0.06 0.14 0.11 0.09 18669 35 0 0.76 28 2.86 4.44 3.04 1.000 22_0023 10 0.11 -0.05 -0.01 0.27 0.18 0.07 58230 58 0 0.79 27 2.85 4.46 3.04 1.000 23_0024 9 0.02 -0.01 0.02 0.12 0.07 0.07 136704 91 0 0.79 33 2.84 4.49 3.05 1.000 24_0025 8 0.50 0.08 -0.05 0.77 0.21 0.09 38161 42 0 0.80 30 2.85 4.49 3.04 1.000 25_0026 6 0.03 -0.06 0.03 0.16 0.07 0.06 65285 61 0 0.70 27 2.84 4.49 3.04 1.000 26_0027 8 0.14 0.07 -0.03 0.39 0.25 0.10 45499 53 0 0.83 30 2.84 4.51 3.07 1.000 I/Sigma = 71.36 Thresh = 0.020 Blend = F #Contributing = 50 InitialProfileWt = 0.061 Region 1 Sum = 33026.4; Maximum = 1196.05; FM = 0.869 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 2 3 1 1 0 0 0 0 1 2 1 1 0 0 0 0 0 3 8 6 2 1 1 0 0 0 3 10 12 5 1 1 0 0 1 3 4 2 1 0 0 0 0 1 7 16 11 3 1 1 0 0 1 6 20 22 7 2 1 0 0 1 3 4 2 1 0 0 0 0 2 8 16 10 2 1 1 1 0 1 8 23 29 11 2 1 1 0 0 1 2 1 0 0 0 0 0 1 5 8 6 2 1 1 0 0 1 5 16 31 16 3 1 1 0 0 0 1 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 2 9 19 11 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 1 3 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 1 3 2 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 6 12 9 2 1 0 0 0 1 2 8 10 4 1 0 0 0 0 1 2 5 4 1 0 0 0 2 13 28 16 4 1 0 0 0 1 5 19 22 8 2 1 0 0 1 1 6 14 8 2 1 0 0 3 20 52 33 7 2 1 0 0 1 10 44 51 20 3 1 0 0 0 2 16 40 26 5 1 0 0 2 19 74 60 15 2 1 0 0 1 12 70100 45 7 1 0 0 1 3 26 77 60 13 1 0 0 1 11 47 43 13 2 1 0 0 1 7 45 78 43 7 1 0 0 1 2 17 63 58 14 2 0 0 1 4 11 11 4 1 0 0 0 1 2 11 21 15 3 1 0 0 0 1 4 18 20 6 1 0 0 0 1 3 3 1 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 1 4 4 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 1: Section 7->9 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 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 2 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 3 15 18 6 1 0 0 0 0 1 3 6 3 1 0 0 0 0 0 0 0 1 1 0 0 1 1 5 29 39 13 3 0 0 0 0 1 5 12 7 3 1 0 0 0 0 0 1 1 1 0 0 0 1 4 22 36 15 3 1 0 0 0 1 4 10 9 3 1 0 0 0 0 0 1 2 1 0 0 0 0 1 7 13 8 2 0 0 0 0 1 2 5 6 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 4 3 1 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 1 1 1 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 I/Sigma = 220.18 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.046 Region 2 Sum = 260982; Maximum = 19853.6; FM = 0.828 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 4 2 0 0 0 0 0 1 5 10 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 7 4 0 0 0 0 0 1 10 20 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 0 0 0 0 0 1 9 21 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 5 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 6 10 4 1 0 0 0 0 0 3 7 5 1 0 0 0 0 0 1 4 3 0 0 0 0 0 2 15 37 14 1 0 0 0 0 1 14 51 20 1 0 0 0 0 0 7 34 15 1 0 0 0 0 1 23 60 21 1 0 0 0 0 1 31100 36 1 0 0 0 0 0 19 74 32 1 0 0 0 0 1 13 30 8 0 0 0 0 0 1 17 53 17 1 0 0 0 0 0 11 43 21 2 0 0 0 0 0 2 4 1 0 0 0 0 0 0 2 7 3 0 0 0 0 0 0 2 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 6 1 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 31 15 1 0 0 0 0 0 3 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 22 13 2 0 0 0 0 0 3 7 4 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 6 5 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 160.63 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 3 Sum = 143268; Maximum = 9783.64; FM = 0.837 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 2 0 0 0 0 0 1 3 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 1 0 0 0 1 5 11 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 2 1 0 0 0 0 1 6 13 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 6 13 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 3: Section 4->6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 3 1 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 1 2 0 0 0 0 0 1 4 11 10 5 1 0 0 0 0 2 10 10 4 1 0 0 0 0 1 5 5 2 0 0 0 0 1 8 29 22 8 1 0 0 0 1 9 44 29 8 1 0 0 0 0 5 26 17 4 0 0 0 0 1 17 52 24 3 0 0 0 0 1 30100 41 4 0 0 0 0 1 21 71 29 3 0 0 0 0 2 15 36 10 1 0 0 0 0 2 31 77 23 1 0 0 0 0 2 26 61 22 1 0 0 0 0 1 3 6 2 0 0 0 0 0 1 7 17 6 1 0 0 0 0 2 7 17 8 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 18 8 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 20 10 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 10 6 1 0 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 63.41 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.230 Region 4 Sum = 25870.9; Maximum = 1144.34; FM = 0.852 !Region 4: Section 1->3 0 1 1 1 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 2 6 4 2 0 0 0 0 1 3 3 2 0 0 0 0 0 1 7 13 8 2 0 0 0 0 1 6 17 11 5 1 0 0 0 1 2 1 1 0 0 0 0 0 1 6 10 7 1 1 0 0 0 1 6 15 14 6 2 0 0 0 0 1 1 0 0 0 0 0 0 0 3 5 4 1 1 1 0 0 1 3 10 15 9 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 3 3 1 1 1 0 0 0 1 7 15 11 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 3 7 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 1 3 3 3 1 0 0 0 0 0 1 3 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 2 8 11 11 4 1 0 0 0 1 3 9 12 5 1 0 0 0 0 1 3 4 2 1 0 0 0 3 11 22 20 5 1 0 0 0 1 5 20 24 8 2 1 0 0 0 1 7 9 5 1 1 0 0 2 10 40 42 10 1 1 0 0 1 7 43 56 17 2 1 0 0 1 2 14 24 10 2 1 0 0 1 9 50 65 20 2 1 0 0 1 6 59100 38 5 1 0 0 1 2 21 49 31 7 1 0 0 1 4 23 45 21 4 1 0 0 1 3 29 79 49 9 1 0 0 0 1 12 47 48 15 2 0 0 1 2 6 12 9 2 1 0 0 1 2 7 23 21 6 1 0 0 0 1 4 16 25 14 3 0 0 0 1 2 3 2 1 0 0 0 0 1 2 5 4 2 1 0 0 0 1 1 4 6 6 2 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 4 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 9 15 5 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 12 28 14 3 1 0 1 0 1 2 7 5 2 1 0 0 0 0 0 0 0 1 0 0 0 0 1 6 20 16 5 1 0 0 0 0 2 7 7 3 1 0 0 0 0 0 0 1 1 0 0 0 1 1 2 7 10 3 0 0 0 0 0 1 3 5 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 40.98 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.393 Region 5 Sum = 10577.7; Maximum = 321.75; FM = 0.766 !Region 5: Section 1->3 0 1 1 0 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 2 4 3 2 0 0 1 0 3 4 2 0 1 0 0 1 0 3 6 4 1 1 0 0 0 0 2 9 14 8 3 1 1 1 1 4 7 2 1 1 0 0 -1 -1 6 12 6 2 1 0 0 0 0 5 17 25 14 5 1 1 1 0 4 6 3 1 2 0 0 0 0 6 12 8 4 3 1 1 0 0 5 17 31 28 10 3 1 1 0 1 2 1 0 1 1 0 -1 0 2 6 5 4 3 2 1 0 0 2 9 29 45 21 4 2 2 0 0 1 0 0 0 1 0 0 0 0 2 2 3 1 1 0 0 0 0 4 14 24 14 3 1 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 5 8 5 2 1 1 0 1 1 0 0 1 1 1 0 0 0 1 0 0 1 1 1 0 0 0 2 2 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 !Region 5: Section 4->6 0 2 4 4 2 1 0 1 0 0 1 2 2 2 1 0 0 0 0 1 1 0 1 1 1 0 0 1 7 17 13 6 2 1 1 1 0 2 6 7 5 3 0 1 0 0 1 1 3 4 4 1 0 0 3 15 31 23 11 3 1 1 0 1 4 12 16 12 4 1 1 0 0 1 2 6 8 6 1 1 1 2 14 42 56 29 8 2 1 0 1 4 19 43 34 16 4 1 0 0 0 4 15 23 26 10 3 0 1 8 41 89 59 19 4 2 0 0 3 20 67 73 54 19 3 0 1 2 5 23 52 94 45 8 1 0 4 19 44 37 15 4 3 0 0 1 8 30 45 51 24 5 0 0 1 3 12 35100 60 12 1 0 2 7 12 10 5 2 2 0 0 1 3 7 10 14 9 3 0 0 2 2 3 8 27 23 8 2 0 2 2 4 3 3 2 1 0 0 1 1 1 3 4 2 1 0 1 2 2 0 2 5 5 3 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 1 0 0 !Region 5: Section 7->9 0 1 1 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 3 3 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 2 4 5 2 2 1 0 0 0 1 1 3 1 1 1 0 0 0 0 1 2 1 1 1 0 0 2 3 9 17 8 3 1 0 0 1 1 1 3 3 1 1 0 0 0 0 1 1 1 0 1 1 1 2 5 21 61 36 9 2 1 1 1 1 3 7 8 5 1 0 0 1 1 1 1 1 1 1 0 1 2 4 16 67 47 13 2 0 0 1 1 2 7 9 7 2 0 0 1 0 1 2 1 2 1 0 2 2 2 4 18 18 9 2 0 0 1 1 1 3 4 5 3 0 0 1 0 0 1 1 2 2 1 2 2 0 2 4 4 3 1 0 0 1 1 1 2 1 2 1 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 27.61 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 6 Sum = 6082.54; Maximum = 196.983; FM = 0.838 !Region 6: Section 1->3 0 0 0 -1 0 0 0 0 0 0 0 0 0 1 0 0 -1 -1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 -1 0 1 3 2 1 1 0 -1 -1 0 1 5 6 4 1 0 -1 -1 0 0 1 1 1 0 0 -1 0 0 1 6 6 3 1 0 -1 0 0 1 12 12 8 2 0 -1 0 0 1 3 1 1 0 0 -1 0 0 4 13 10 5 1 0 0 0 0 5 24 27 18 6 2 1 0 0 2 4 1 0 0 1 0 0 0 7 15 11 8 3 1 0 1 1 8 26 34 33 12 3 1 1 0 1 2 1 1 0 0 0 0 0 3 8 7 5 2 1 0 1 0 3 12 18 16 6 1 1 0 0 0 1 1 1 1 1 0 0 0 1 2 2 3 0 1 1 0 0 1 3 4 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 -1 0 0 1 1 0 0 1 0 -1 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 1 0 -1 0 0 0 !Region 6: Section 4->6 0 1 2 2 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 1 1 0 1 0 0 1 3 7 6 3 2 0 0 0 0 1 4 5 6 4 2 0 0 1 1 3 3 5 4 2 0 0 1 9 14 14 8 3 0 0 0 0 2 8 13 14 8 3 1 1 0 1 3 5 12 8 4 1 1 3 17 34 42 24 11 2 0 0 1 5 21 43 48 32 10 1 1 1 2 6 18 43 39 17 3 1 4 18 53 82 50 22 5 2 0 2 6 39 86100 73 23 4 1 2 3 11 35 88 95 42 7 1 2 10 28 41 25 12 3 1 0 1 4 21 44 49 39 15 2 1 1 1 5 18 41 49 25 4 0 1 3 6 8 5 3 1 1 0 0 2 4 9 11 8 4 2 0 0 0 1 4 9 9 5 1 0 0 0 1 1 1 1 0 0 0 0 -1 0 2 3 3 1 0 0 0 0 -1 1 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 -1 0 0 0 1 1 1 0 !Region 6: Section 7->9 1 1 1 1 1 0 0 0 0 1 2 2 1 1 0 0 1 0 1 1 1 1 0 0 0 0 0 1 1 2 2 1 2 1 1 0 1 2 2 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 2 4 4 2 1 0 1 2 1 2 1 1 1 0 0 1 1 0 1 1 1 0 0 0 1 3 3 5 15 18 12 6 1 1 3 2 4 3 4 6 4 1 1 1 1 2 0 1 1 1 0 2 3 3 6 28 43 30 10 2 2 3 3 3 3 7 12 8 2 1 2 1 2 1 2 3 3 1 1 1 1 4 13 23 17 5 1 1 2 1 3 2 4 6 5 2 0 1 1 2 1 1 1 3 1 1 1 1 3 4 4 3 2 1 1 2 2 2 2 2 2 2 1 0 1 1 0 0 1 1 2 0 1 2 0 0 2 1 2 0 0 1 1 1 1 2 1 1 2 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 0 0 1 1 0 1 0 0 1 1 0 0 0 0 I/Sigma = 37.17 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 7 Sum = 8217.28; Maximum = 267.102; FM = 0.755 !Region 7: Section 1->3 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 2 1 1 0 0 0 1 1 0 0 1 0 0 0 0 2 2 1 1 1 1 0 0 1 2 4 4 4 1 1 0 0 0 2 1 0 0 1 1 1 0 1 3 2 1 0 1 2 1 0 1 4 10 9 5 2 3 1 0 1 2 1 1 0 0 1 1 0 2 4 3 2 0 1 2 1 0 1 9 22 20 11 3 2 1 0 2 3 1 0 1 1 1 1 0 3 6 4 1 1 1 1 1 0 3 15 41 42 22 4 3 1 0 1 0 1 0 0 1 0 1 0 2 2 3 1 1 2 1 1 1 2 12 30 32 12 3 1 1 0 0 0 1 1 0 0 0 0 0 1 1 2 1 1 1 1 0 0 1 4 10 9 4 1 1 0 0 0 2 0 0 0 1 0 0 0 0 2 1 1 1 2 0 0 0 0 2 3 2 2 2 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 1 0 0 0 0 !Region 7: Section 4->6 0 1 1 2 3 1 1 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 2 1 1 0 0 1 3 6 9 8 2 1 0 -1 1 2 3 5 6 3 1 0 0 1 1 2 1 4 4 1 1 0 1 5 18 19 13 5 3 1 0 1 3 8 11 12 9 4 2 0 1 1 2 3 9 16 8 2 0 1 13 43 45 30 9 4 2 0 0 6 20 29 34 30 11 3 1 0 2 2 9 32 67 31 7 1 2 22 81100 58 14 6 2 0 1 10 38 65 61 41 13 4 0 0 2 4 19 51 86 35 9 1 2 19 59 72 30 7 3 1 0 1 8 29 44 29 16 4 2 0 0 2 4 11 22 32 11 3 0 0 7 19 17 8 3 1 0 0 0 4 9 11 7 5 2 1 0 0 2 2 4 7 8 3 3 0 0 3 5 4 3 2 0 0 0 0 1 3 2 3 3 1 0 0 0 1 1 2 4 4 2 2 1 0 0 1 0 1 0 1 0 0 0 0 1 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 !Region 7: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 2 1 3 3 2 1 0 0 0 1 1 1 2 1 0 0 0 0 1 0 1 1 0 1 0 1 1 2 2 5 12 7 3 1 0 0 1 2 2 3 2 2 0 0 0 1 0 1 0 0 1 0 0 1 1 3 18 51 27 7 1 0 0 1 1 3 9 6 3 1 0 0 0 0 1 0 1 1 1 0 1 1 5 26 66 31 9 1 -1 -1 1 1 4 12 7 3 1 -1 -1 0 1 0 1 2 2 1 0 1 2 3 12 24 10 4 1 0 0 0 1 3 5 3 2 1 0 0 0 1 1 2 1 1 1 1 2 2 2 5 7 3 2 1 0 1 1 2 1 2 1 1 1 0 0 1 1 0 1 0 1 1 0 1 2 3 4 4 2 2 1 0 0 1 2 2 1 0 1 1 0 0 1 1 1 0 -1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 0 0 1 1 1 0 1 0 I/Sigma = 47.82 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 8 Sum = 16060.4; Maximum = 578.926; FM = 0.852 !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 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 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 1 2 2 1 0 0 0 0 0 2 8 10 5 1 1 0 0 0 1 1 1 0 0 0 0 0 0 3 5 4 1 1 0 0 0 0 5 18 19 8 3 1 0 0 1 3 2 1 1 0 0 0 0 2 8 8 5 2 1 1 0 0 2 11 25 36 17 3 1 0 0 0 2 2 1 0 0 0 0 0 2 8 8 5 2 1 0 0 0 2 10 20 32 13 2 1 0 0 0 1 0 0 0 0 0 0 0 0 3 3 1 0 0 0 0 0 0 3 7 8 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 2 2 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 1 3 9 8 3 1 0 0 0 0 1 6 9 5 1 0 0 0 0 1 2 5 4 2 1 0 0 2 10 21 14 5 1 1 0 0 1 5 16 19 11 3 1 0 0 1 1 5 17 18 6 2 0 0 4 25 48 32 12 3 1 0 0 2 13 43 53 36 9 2 0 0 1 3 15 47 61 17 3 1 1 7 37 98 69 17 3 1 0 0 3 23 91100 49 10 1 1 0 1 5 27 68 71 20 3 1 1 5 28 83 46 8 1 0 0 0 1 18 74 56 18 3 1 0 0 1 4 19 31 26 7 1 0 0 2 10 22 10 2 1 0 0 0 1 6 18 12 5 2 0 0 0 0 2 5 8 7 3 1 0 0 1 3 5 3 1 0 0 0 0 1 2 5 3 1 0 1 0 0 1 1 2 3 2 2 1 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 0 !Region 8: Section 7->9 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 3 2 2 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 0 0 1 1 2 9 13 6 2 1 0 0 0 1 1 3 2 2 1 0 0 0 0 0 0 0 1 0 0 0 2 4 25 41 14 3 1 0 0 1 1 4 8 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 5 27 42 15 3 0 0 0 0 1 3 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 11 15 6 1 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 146.74 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.103 Region 9 Sum = 125468; Maximum = 10278.5; FM = 0.828 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 3 2 1 0 0 0 0 0 3 13 10 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 2 15 23 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 5 3 1 0 0 0 0 0 1 4 4 1 0 0 0 0 0 0 2 3 1 0 0 0 0 0 5 28 29 7 1 0 0 0 0 5 27 34 9 1 0 0 0 0 2 13 20 7 1 0 0 0 0 5 39 78 40 3 0 0 0 0 4 44100 50 4 0 0 0 0 2 23 60 29 3 0 0 0 0 1 10 33 29 4 0 0 0 0 1 11 41 36 6 1 0 0 0 0 5 24 21 4 1 0 0 0 0 1 3 3 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 18 11 2 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 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 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 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 6.4672 0.8876 13.692 120.585 Orientation ('UB') matrix: 0.1437826 0.0359525 -0.0039267 0.0303363 -0.0027562 0.0770768 0.0660624 -0.0769837 -0.0045934 A B C Alpha Beta Gamma Vol 6.2504 11.7633 13.0254 90.000 96.778 90.000 951.01 0.0009 0.0009 0.0012 0.000 0.009 0.000 0.26 Corrected for goodness of fit: 0.0023 0.0022 0.0030 0.000 0.021 0.000 0.64 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.100 96.233 24.360 Goniometer zeros (deg): 0.0000* 0.1360 0.0000* 0.0373 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0458 -0.5680 0.0777 -0.2144 -0.2140 0.8409 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.07554e+03 3.53811e+03 2.45 17 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 201 Average input ESD (pix, pix, deg): 0.25961 0.19015 0.36474 Goodness of fit: 3.13052 2.36740 1.48250 Old XYZ spot size: 2.152 2.619 2.353 New XYZ spot size: 2.156 2.641 2.346 Average missing volume: 0.056 % with too much missing I: 6.228 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:25:10 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 2.156 2.641 2.346 Spot size used (deg): 2.156 2.641 2.346 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 15 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): 0.301 0.305 0.334 Profile convolver halfwidth: 1.00 1.00 1.75 Background pixels updated = 92.52% 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 16 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 0.00 1.000 2_0003 8 0.89 0.70 0.04 3.14 1.98 0.27 12456 21 13 0.70 26 1.90 2.47 2.59 1.000 3_0004 6 0.56 -0.39 -0.04 1.27 0.81 0.20 22988 45 0 0.78 28 2.44 2.83 3.16 1.000 4_0005 12 0.02 -0.07 0.04 0.25 0.17 0.08 49629 60 8 0.80 31 2.46 2.96 3.47 1.000 5_0006 10 0.38 0.08 0.26 1.31 0.42 0.82 98362 107 0 0.80 23 2.31 2.89 3.76 1.000 6_0007 13 -0.06 0.02 0.06 0.23 0.17 0.14 39979 72 8 0.78 30 2.28 2.95 3.82 1.000 7_0008 7 -0.00 -0.01 0.03 0.11 0.15 0.05 29326 51 0 0.79 30 2.19 2.88 3.74 1.000 8_0009 11 0.34 -0.02 0.03 1.18 0.12 0.07 54733 73 0 0.82 31 2.22 2.87 3.73 1.000 9_0010 9 -0.02 -0.07 0.02 0.11 0.09 0.06 93339 126 0 0.85 31 2.15 2.85 3.88 1.000 10_0011 6 -0.05 0.03 0.04 0.18 0.08 0.08 26187 32 0 0.71 24 2.21 2.89 3.81 1.000 11_0012 13 0.50 -0.16 -0.04 1.21 0.55 0.08 28012 39 8 0.71 28 2.21 2.93 3.78 1.000 12_0013 6 0.20 0.12 -0.05 0.35 0.34 0.09 39198 57 0 0.71 27 2.23 2.95 3.82 1.000 13_0014 15 0.21 -0.28 -0.03 0.80 1.02 0.13 81995 80 0 0.72 33 2.17 2.90 3.81 1.000 14_0015 7 0.13 -0.08 -0.02 0.28 0.13 0.07 24686 35 0 0.84 28 2.15 2.88 3.78 1.000 15_0016 8 0.03 -0.06 0.02 0.08 0.11 0.03 60270 66 0 0.77 28 2.12 2.91 3.79 1.000 16_0017 8 0.38 0.21 -0.04 0.77 0.36 0.09 38532 46 0 0.73 28 2.16 2.96 3.80 1.000 17_0018 8 -0.00 0.01 -0.01 0.10 0.12 0.06 99125 104 0 0.76 32 2.15 2.96 3.83 1.000 18_0019 14 0.06 -0.00 -0.01 0.45 0.23 0.13 42838 59 0 0.78 26 2.17 2.96 3.82 1.000 19_0020 11 0.03 -0.01 -0.02 0.15 0.24 0.08 46603 69 0 0.82 31 2.19 2.97 3.82 1.000 Background pixels updated = 92.80% 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 10 0.02 0.07 0.08 0.22 0.19 0.20 34146 47 0 0.79 31 2.22 2.97 3.81 1.000 21_0022 7 -0.04 0.09 -0.05 0.14 0.15 0.09 47242 55 0 0.69 28 2.20 2.97 3.83 1.000 22_0023 10 0.11 0.02 -0.03 0.25 0.17 0.08 62009 58 0 0.79 27 2.19 2.99 3.81 1.000 23_0024 9 0.03 0.05 -0.00 0.09 0.12 0.06 82842 92 0 0.80 33 2.18 3.00 3.79 1.000 24_0025 8 0.45 0.08 -0.13 0.78 0.23 0.33 34842 43 0 0.81 29 2.19 2.99 3.77 1.000 25_0026 7 0.75 0.56 -0.04 1.93 1.45 0.12 59872 53 0 0.69 27 2.18 3.00 3.79 1.000 26_0027 8 0.14 0.13 -0.05 0.38 0.28 0.10 40726 54 0 0.84 30 2.18 3.01 3.79 1.000 27_0028 8 0.02 0.03 -0.04 0.53 0.32 0.08 35233 43 0 0.75 28 2.19 3.02 3.79 1.000 28_0029 10 0.16 0.03 -0.03 0.30 0.09 0.07 22770 36 0 0.74 29 2.18 3.01 3.76 1.000 29_0030 9 0.32 -0.10 -0.03 0.74 0.38 0.17 53962 55 11 0.74 27 2.21 3.04 3.75 1.000 30_0031 7 -0.12 -0.07 0.03 0.43 0.40 0.10 62233 55 0 0.77 27 2.19 3.04 3.74 1.000 31_0032 8 0.12 0.16 -0.03 0.19 0.23 0.07 58049 60 0 0.83 37 2.20 3.06 3.73 1.000 32_0033 1 0.41 0.34 -0.11 0.41 0.34 0.11 3975.4 11 0 0.63 27 2.19 3.06 3.72 1.000 33_0034 9 0.18 0.12 -0.04 0.26 0.20 0.10 60782 78 0 0.80 30 2.18 3.06 3.73 1.000 34_0035 20 0.09 0.08 -0.05 0.20 0.12 0.13 53989 58 0 0.77 26 2.16 3.08 3.72 1.000 35_0036 10 0.54 0.29 -0.06 1.34 0.88 0.12 66544 75 0 0.80 35 2.15 3.08 3.74 1.000 36_0037 10 0.32 -0.03 -0.08 0.46 0.32 0.13 43707 49 10 0.74 27 2.14 3.07 3.73 1.000 37_0038 10 0.07 0.08 -0.03 0.12 0.15 0.05 76445 99 0 0.83 30 2.13 3.07 3.75 1.000 38_0039 10 0.34 0.09 0.12 0.86 0.12 0.43 58070 66 0 0.80 27 2.13 3.08 3.75 1.000 39_0040 10 0.11 0.07 -0.01 0.16 0.10 0.06 47688 58 0 0.72 27 2.11 3.08 3.75 1.000 Background pixels updated = 92.73% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40_0041 7 -0.03 0.10 0.03 0.33 0.14 0.06 38490 50 0 0.73 26 2.10 3.08 3.75 1.000 41_0042 11 0.71 -0.17 -0.09 1.97 0.85 0.28 46273 53 0 0.84 25 2.11 3.09 3.74 1.000 42_0043 10 -0.07 0.13 0.03 0.40 0.25 0.08 75953 67 0 0.81 27 2.13 3.10 3.73 1.000 43_0044 7 -0.02 0.26 0.01 0.40 0.47 0.10 34251 48 0 0.75 28 2.12 3.10 3.73 1.000 44_0045 11 0.33 0.15 -0.05 0.65 0.18 0.08 29662 37 0 0.77 27 2.11 3.10 3.70 1.000 45_0046 7 0.01 -0.01 0.02 0.19 0.12 0.10 83033 95 0 0.85 30 2.11 3.09 3.70 1.000 46_0047 9 0.30 0.22 -0.06 0.61 0.38 0.15 37634 47 0 0.80 29 2.11 3.09 3.70 1.000 47_0048 7 0.25 0.08 -0.10 0.43 0.17 0.19 33461 55 0 0.80 28 2.11 3.09 3.70 1.000 48_0049 5 -0.05 0.20 0.03 1.32 0.54 0.10 46161 69 0 0.84 27 2.12 3.10 3.70 1.000 49_0050 10 0.22 0.22 -0.03 0.33 0.30 0.07 49837 66 0 0.83 31 2.13 3.12 3.70 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 (397 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) 397 0 397 6.4717 0.8780 13.683 122.816 Orientation ('UB') matrix: 0.1435660 0.0360044 -0.0040308 0.0302794 -0.0027331 0.0770159 0.0660866 -0.0769635 -0.0046206 A B C Alpha Beta Gamma Vol 6.2568 11.7629 13.0321 90.000 96.688 90.000 952.61 0.0005 0.0005 0.0005 0.000 0.003 0.000 0.13 Corrected for goodness of fit: 0.0014 0.0014 0.0014 0.000 0.008 0.000 0.36 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.095 96.222 24.400 Goniometer zeros (deg): 0.0000* 0.1866 0.0000* 0.0513 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1216 -0.5538 0.0760 -0.1954 -0.2264 0.8672 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.24328e+04 9.22229e+03 2.81 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 397 397 393 Average input ESD (pix, pix, deg): 0.24093 0.18882 0.05080 Goodness of fit: 3.38205 3.08223 1.52147 Background pixels updated = 92.80% 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 10 0.17 0.24 -0.01 0.50 0.33 0.09 25074 38 0 0.79 29 2.14 3.12 3.68 1.000 51_0052 8 -0.16 0.06 -0.01 0.40 0.15 0.06 54746 66 0 0.79 29 2.14 3.13 3.68 1.000 52_0053 8 0.08 0.13 0.05 0.23 0.26 0.15 31004 40 0 0.79 28 2.15 3.14 3.67 1.000 53_0054 12 0.17 0.09 -0.04 0.45 0.20 0.14 46438 61 0 0.76 28 2.15 3.14 3.68 1.000 54_0055 11 0.07 0.07 0.03 0.20 0.17 0.07 47221 63 0 0.78 29 2.13 3.14 3.68 1.000 55_0056 7 0.12 0.04 -0.05 0.41 0.17 0.14 174669 168 14 0.75 33 2.14 3.14 3.69 1.000 56_0057 13 0.33 -0.04 -0.01 1.05 0.46 0.11 31424 42 0 0.74 26 2.13 3.14 3.69 1.000 57_0058 12 0.11 0.08 0.02 0.23 0.15 0.07 67757 82 0 0.73 30 2.13 3.15 3.69 1.000 58_0059 11 0.22 0.30 -0.00 0.58 0.88 0.12 34035 47 0 0.83 28 2.14 3.15 3.68 1.000 59_0060 4 -0.10 0.02 0.02 0.15 0.16 0.08 34284 39 0 0.72 27 2.14 3.15 3.68 1.000 Background pixels updated = 92.57% 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 14 0.07 0.13 -0.02 0.18 0.15 0.08 72435 87 0 0.80 38 2.14 3.15 3.68 1.000 61_0062 12 0.50 0.34 0.01 1.16 0.53 0.11 33188 46 0 0.77 26 2.16 3.16 3.68 1.000 62_0063 4 -0.08 0.08 -0.01 0.30 0.15 0.08 32087 46 0 0.82 28 2.16 3.16 3.68 1.000 63_0064 7 0.06 0.05 0.01 0.21 0.10 0.07 51912 69 0 0.74 28 2.16 3.16 3.68 1.000 64_0065 9 0.03 0.13 0.01 0.18 0.21 0.09 23572 42 0 0.76 31 2.16 3.17 3.67 1.000 65_0066 2 0.00 0.06 0.02 0.10 0.16 0.02 17430 33 0 0.75 27 2.17 3.17 3.67 1.000 66_0067 8 0.04 0.04 -0.02 0.11 0.14 0.06 37661 48 0 0.81 27 2.17 3.18 3.67 1.000 67_0068 11 0.32 -0.14 0.00 0.93 1.01 0.15 50234 69 0 0.84 30 2.18 3.19 3.67 1.000 68_0069 9 0.05 0.25 -0.03 0.18 0.34 0.12 27279 39 0 0.80 29 2.17 3.19 3.66 1.000 69_0070 12 0.25 0.20 -0.01 0.69 0.36 0.16 58498 61 0 0.77 27 2.17 3.18 3.66 1.000 70_0071 12 0.91 0.34 -0.04 2.72 0.54 0.18 27472 36 8 0.70 28 2.17 3.19 3.65 1.000 71_0072 12 -0.01 0.07 -0.01 0.07 0.16 0.08 48294 60 0 0.79 28 2.16 3.19 3.65 1.000 72_0073 11 0.12 0.01 -0.01 0.36 0.13 0.08 69354 68 0 0.84 27 2.16 3.19 3.65 1.000 73_0074 6 0.03 0.08 0.03 0.20 0.14 0.07 32284 46 0 0.75 27 2.16 3.19 3.65 1.000 74_0075 13 0.06 0.06 -0.02 0.28 0.26 0.08 31597 42 0 0.76 27 2.17 3.21 3.66 1.000 75_0076 9 -0.00 0.04 0.03 0.14 0.10 0.06 55493 67 0 0.80 30 2.17 3.20 3.67 1.000 76_0077 8 0.20 0.20 -0.07 0.49 0.29 0.16 70428 59 0 0.83 24 2.18 3.21 3.66 1.000 77_0078 6 0.12 0.20 0.03 0.46 0.27 0.12 34960 61 0 0.78 30 2.18 3.21 3.66 1.000 78_0079 6 -0.03 -0.02 0.03 0.16 0.13 0.08 57727 61 0 0.77 30 2.18 3.21 3.67 1.000 79_0080 4 -0.02 0.14 -0.01 0.12 0.17 0.05 36848 55 0 0.83 22 2.18 3.21 3.67 1.000 Background pixels updated = 93.03% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80_0081 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 2.18 3.21 3.67 1.000 81_0082 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 2.18 3.21 3.67 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_14_0082.sfrm I/Sigma = 74.54 Thresh = 0.020 Blend = F #Contributing = 218 InitialProfileWt = 0.000 Region 1 Sum = 36284.1; Maximum = 1398.57; FM = 0.851 !Region 1: Section 1->3 0 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 5 4 2 1 1 1 0 0 2 6 7 3 1 1 1 0 0 1 2 1 1 0 0 0 0 1 3 6 5 2 1 1 1 0 0 2 8 11 5 2 1 1 0 0 1 1 1 1 0 1 0 0 1 2 5 5 2 1 1 1 0 0 2 10 15 7 2 1 1 0 0 1 1 1 1 0 1 0 0 0 2 4 5 2 1 1 1 0 0 2 10 23 13 3 1 1 0 0 1 1 1 0 1 0 0 0 0 1 3 4 2 2 1 1 0 0 1 6 20 16 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 0 0 1 2 6 6 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 2 2 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 0 0 0 0 !Region 1: Section 4->6 0 0 1 3 2 1 0 0 0 0 0 0 2 3 1 1 0 0 0 0 0 1 1 1 0 0 0 0 1 4 11 10 3 1 1 0 0 1 2 9 11 4 1 1 0 0 0 1 3 4 3 1 0 0 0 1 9 24 17 4 1 1 0 0 1 7 24 22 6 1 1 0 0 0 2 7 10 4 1 1 0 0 2 18 49 29 6 2 1 0 0 1 17 55 41 10 2 1 0 0 1 5 20 24 10 2 1 0 0 2 17 71 61 14 3 1 0 0 1 15 76 83 26 5 1 0 0 1 5 26 45 26 6 1 0 0 1 10 59 76 24 4 1 0 0 1 8 60100 43 8 2 0 0 0 2 18 47 38 10 2 0 0 1 3 17 30 13 3 1 0 0 1 2 18 40 24 6 1 0 0 0 1 6 20 23 9 2 0 0 1 1 5 8 4 1 1 0 0 1 1 5 10 8 3 1 0 0 0 1 2 6 9 6 2 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 1 2 2 2 1 0 !Region 1: 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 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 8 3 1 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 1 0 1 0 0 1 1 4 16 19 7 2 0 0 0 1 2 5 7 4 2 0 0 0 0 0 0 1 1 1 0 0 0 1 2 13 23 12 3 0 0 0 1 1 4 9 7 3 1 0 0 0 0 1 1 1 1 0 0 0 0 1 6 16 12 4 1 0 0 0 1 2 7 7 3 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 9 9 3 1 0 0 0 1 2 5 6 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 207.54 Thresh = 0.020 Blend = F #Contributing = 173 InitialProfileWt = 0.000 Region 2 Sum = 240656; Maximum = 20229.9; FM = 0.811 !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 0 1 2 1 0 0 0 0 0 0 4 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 6 2 0 0 0 0 0 1 12 21 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 6 2 0 0 0 0 0 1 12 30 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 5 13 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 7 2 0 0 0 0 0 0 2 5 2 0 0 0 0 0 0 0 2 1 0 0 0 0 0 1 16 38 11 1 0 0 0 0 1 13 46 15 1 0 0 0 0 0 7 30 11 1 0 0 0 0 1 25 73 27 1 0 0 0 0 1 28100 41 2 0 0 0 0 0 17 67 30 2 0 0 0 0 1 9 34 13 1 0 0 0 0 0 10 45 22 1 0 0 0 0 0 5 30 20 2 0 0 0 0 0 1 3 1 0 0 0 0 0 0 1 5 3 0 0 0 0 0 0 1 5 6 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 5 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 24 13 2 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 12 2 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 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 = 166.83 Thresh = 0.020 Blend = F #Contributing = 115 InitialProfileWt = 0.000 Region 3 Sum = 162883; Maximum = 11878.7; FM = 0.816 !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 1 1 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 2 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 0 1 7 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 9 3 0 0 0 0 0 1 12 26 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 7 11 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 3 7 5 1 0 0 0 0 0 2 7 6 1 0 0 0 0 0 1 5 5 1 0 0 0 0 1 10 24 10 1 0 0 0 0 1 11 44 21 3 0 0 0 0 1 8 38 20 2 0 0 0 0 1 20 48 14 1 0 0 0 0 1 30100 34 2 0 0 0 0 1 22 87 32 2 0 0 0 0 1 14 31 8 1 0 0 0 0 1 22 74 24 1 0 0 0 0 1 17 66 24 1 0 0 0 0 1 4 7 2 0 0 0 0 0 1 7 19 7 0 0 0 0 0 1 6 18 7 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 2 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 1 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 9 5 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 22 9 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 18 7 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 75.13 Thresh = 0.020 Blend = F #Contributing = 43 InitialProfileWt = 0.003 Region 4 Sum = 35310; Maximum = 1413.13; FM = 0.84 !Region 4: Section 1->3 0 0 1 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 3 1 1 0 0 0 0 2 6 8 4 1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 1 1 1 0 0 0 2 7 10 4 1 1 1 0 0 1 1 1 1 0 0 0 0 1 2 4 4 2 1 1 0 0 0 2 8 16 7 2 1 1 0 0 1 1 1 0 0 0 0 0 1 1 3 5 3 1 1 1 0 0 2 9 25 14 2 1 1 0 0 1 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 0 0 1 5 16 13 3 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 2 5 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 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 1 0 0 0 0 0 !Region 4: Section 4->6 0 0 2 4 3 1 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 1 2 2 1 0 0 0 1 5 13 9 3 1 0 0 0 1 3 11 12 5 1 1 0 0 0 1 4 7 5 2 1 0 0 1 8 21 14 4 1 1 0 0 1 6 20 20 8 2 1 0 0 1 2 8 13 9 2 1 0 0 1 13 41 25 5 1 1 0 0 1 10 44 38 12 2 1 0 0 1 4 19 27 12 2 1 0 0 1 13 63 52 11 2 1 0 0 1 9 64 79 24 3 1 0 0 1 3 26 55 26 3 1 0 0 1 7 42 62 22 3 1 0 0 1 5 43100 49 6 1 0 0 1 2 18 67 50 8 1 0 0 1 2 11 27 17 3 1 0 0 1 2 12 50 41 7 1 0 0 0 1 6 36 43 10 2 0 0 0 2 4 7 6 2 0 0 0 0 1 4 13 14 4 1 0 0 0 1 2 10 16 7 1 0 0 0 0 1 2 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 3 4 2 0 0 !Region 4: Section 7->9 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 1 1 2 3 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 4 4 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 6 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 5 18 15 3 1 0 0 1 1 1 3 4 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 4 20 25 6 1 0 0 0 1 1 3 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 11 20 9 2 0 0 0 0 1 1 4 4 2 0 0 0 0 0 0 0 1 1 0 0 0 0 1 4 9 7 2 0 0 0 0 0 1 2 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.82 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.014 Region 5 Sum = 20601.6; Maximum = 540.777; FM = 0.835 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 4 3 1 1 0 0 0 0 1 1 1 1 0 0 0 0 1 5 6 3 2 1 1 1 1 1 7 13 8 3 2 2 1 1 1 1 1 0 1 0 0 0 0 2 5 6 4 2 1 1 1 0 1 9 16 11 5 2 2 2 1 0 1 1 0 1 0 0 0 0 1 5 8 5 2 1 2 1 0 1 8 19 17 6 2 2 2 0 0 1 1 1 0 1 0 0 0 1 3 8 9 4 2 2 1 1 1 6 22 33 16 4 3 2 1 0 1 1 1 0 0 0 0 0 0 3 6 9 5 2 2 1 1 1 4 16 33 23 7 3 2 1 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 1 1 1 1 2 5 11 9 4 2 2 1 0 0 0 0 0 1 0 0 0 1 1 2 2 2 2 1 1 0 1 2 3 4 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 !Region 5: Section 4->6 0 1 5 4 2 1 1 0 0 0 0 3 4 4 3 1 1 0 0 0 1 2 3 3 1 1 0 1 6 14 12 7 4 2 1 0 0 3 8 12 14 8 2 1 0 0 1 3 7 13 8 2 1 0 1 7 19 19 10 4 2 2 1 1 4 13 21 20 10 4 2 1 1 2 6 13 19 10 3 2 0 1 6 25 33 17 6 3 2 1 1 4 21 45 38 17 5 2 1 1 2 11 32 38 22 6 3 0 1 5 30 62 45 15 4 2 1 1 2 21 66 82 45 12 3 1 1 2 9 37 71 59 19 4 1 1 3 18 56 62 32 9 2 1 1 2 11 48 97 89 33 5 1 1 1 4 20 71100 46 7 1 1 2 5 16 25 21 9 2 1 0 1 3 13 40 58 31 6 1 1 1 2 6 28 60 40 9 1 1 1 3 5 7 7 4 2 0 1 1 2 5 11 17 13 4 1 1 1 2 3 8 16 16 6 1 0 0 1 2 2 3 2 0 0 0 1 1 1 3 5 4 1 0 0 1 1 1 2 4 5 1 0 !Region 5: Section 7->9 0 0 1 1 1 2 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 2 3 5 4 2 1 1 0 1 1 1 1 2 3 2 1 0 1 0 1 1 1 2 1 1 1 2 2 4 7 4 2 2 1 1 2 2 2 2 2 3 3 1 0 1 1 1 1 1 1 2 1 1 1 3 8 15 13 5 3 1 1 1 1 1 3 5 4 2 1 0 1 1 0 1 1 2 1 0 1 1 2 9 25 35 15 4 1 0 0 1 2 4 10 6 3 1 0 0 0 1 1 2 2 1 1 1 1 2 5 19 44 28 7 1 1 1 1 2 4 9 9 5 2 0 1 1 1 1 2 2 2 1 1 1 1 2 8 22 22 9 2 1 1 1 1 2 4 7 7 2 0 0 0 1 1 1 2 3 1 1 1 1 1 3 6 9 6 1 1 1 0 1 1 2 4 6 2 0 0 0 0 1 1 1 2 1 0 1 0 1 1 2 3 1 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 I/Sigma = 47.56 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.027 Region 6 Sum = 14953.2; Maximum = 425.148; FM = 0.852 !Region 6: Section 1->3 0 1 1 0 0 0 0 0 0 0 2 3 1 1 1 1 1 0 0 3 5 3 1 1 1 1 0 1 1 1 1 0 0 0 0 0 2 6 7 4 2 1 1 1 0 1 9 13 8 3 2 1 2 0 1 1 2 1 0 0 0 0 0 3 8 9 4 2 1 1 1 0 2 11 14 8 4 2 1 1 0 1 2 2 1 1 0 0 0 0 3 8 10 5 3 2 1 1 0 3 12 18 11 6 3 2 1 0 1 2 1 1 1 1 0 0 0 2 7 9 7 4 2 2 1 1 2 11 18 18 10 4 2 2 1 0 1 1 1 0 0 0 0 0 1 3 7 8 5 2 1 1 0 2 6 15 19 12 4 2 2 1 0 0 1 0 0 0 0 0 0 1 2 3 3 2 1 1 1 0 1 3 5 6 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 2 2 2 1 1 1 1 0 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 !Region 6: Section 4->6 0 1 2 2 2 1 1 0 0 0 0 1 2 3 2 1 1 0 0 0 1 1 3 2 1 1 0 0 4 7 7 6 3 1 1 0 0 1 3 8 13 7 2 1 0 0 1 2 5 11 7 3 1 1 1 6 11 13 9 3 1 1 0 0 2 8 21 23 10 3 2 1 0 1 5 14 19 11 4 2 1 1 7 18 23 16 6 2 1 0 0 3 21 45 44 23 7 2 1 0 2 12 33 41 27 10 3 1 1 6 19 38 34 18 6 2 1 1 3 18 63 87 63 23 4 1 0 2 10 40 75 70 32 6 1 1 4 14 35 41 27 9 2 1 1 2 10 51100 93 40 9 1 0 1 5 29 78 94 50 12 2 1 2 5 11 15 12 5 2 0 0 1 4 16 38 41 21 6 1 0 1 2 9 29 41 24 8 1 0 0 1 3 4 4 2 1 0 1 1 2 5 10 11 7 3 1 1 1 2 3 8 12 8 4 1 0 0 0 1 1 1 1 1 0 0 1 0 1 2 3 2 1 0 0 1 0 1 2 3 2 1 0 !Region 6: Section 7->9 0 0 0 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 0 0 1 1 0 0 0 1 0 0 0 1 1 3 3 2 1 0 1 1 1 1 1 2 1 1 0 0 1 1 1 1 1 1 1 0 0 1 1 3 5 4 3 2 0 1 2 1 1 2 2 2 2 1 0 1 1 1 1 1 1 2 1 0 2 3 6 13 13 7 2 1 0 2 2 1 3 4 5 3 1 0 1 1 1 1 2 2 2 1 1 2 2 7 20 27 20 6 1 1 2 2 2 3 6 10 6 1 0 1 1 1 1 2 4 3 1 0 1 1 4 18 30 23 9 2 0 1 1 2 3 4 8 8 3 0 0 0 1 2 1 3 4 1 0 1 1 2 7 13 11 8 2 0 1 0 1 2 3 5 8 3 0 1 0 1 1 2 2 4 2 0 1 1 1 3 4 4 4 2 1 1 1 1 2 2 3 6 3 0 1 0 1 1 1 1 3 2 0 0 0 0 1 1 2 1 0 0 1 0 1 1 1 2 2 1 0 1 0 1 0 1 1 1 0 I/Sigma = 54.36 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.008 Region 7 Sum = 18504.4; Maximum = 410.552; FM = 0.873 !Region 7: Section 1->3 0 1 1 1 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 4 4 3 1 1 0 0 1 3 2 1 1 0 0 0 0 2 5 7 4 2 1 1 0 0 1 6 14 13 7 4 2 1 0 2 3 2 1 1 1 0 1 0 3 7 8 5 2 2 1 1 0 2 10 22 19 9 4 1 1 0 1 3 1 1 1 1 1 1 0 3 7 7 4 2 2 1 1 0 3 11 25 22 10 4 2 1 1 1 2 1 1 1 1 1 1 0 2 6 6 5 3 2 2 1 0 3 10 24 31 19 6 3 2 1 0 1 1 1 1 1 1 1 0 1 3 4 6 3 2 1 1 0 1 6 20 41 26 7 3 2 1 0 1 1 1 1 1 0 1 0 0 1 2 3 2 2 1 1 0 1 3 8 16 11 5 2 1 0 0 1 1 0 1 0 0 0 0 0 1 1 1 1 0 0 1 0 1 2 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 0 !Region 7: Section 4->6 0 1 3 5 4 2 1 0 0 0 1 1 2 3 2 1 1 0 0 1 1 1 2 1 1 1 0 1 4 14 17 13 7 2 1 0 0 2 5 9 13 7 3 2 1 0 1 1 3 9 6 3 2 1 1 8 25 30 19 8 3 1 1 1 3 11 22 26 17 5 2 1 0 2 4 11 27 24 8 2 0 2 10 34 42 27 11 5 2 1 1 4 20 43 48 33 14 4 1 0 2 8 27 53 56 25 5 1 2 9 37 65 51 22 9 4 1 1 5 23 61 84 68 32 7 2 1 4 9 34 75100 57 12 2 1 6 32 82 65 25 8 3 1 1 4 20 66 88 65 28 7 2 1 3 7 29 67 87 52 13 2 0 4 14 32 25 10 4 2 1 0 2 8 26 32 22 10 4 1 1 2 3 12 25 30 20 8 1 0 2 5 6 6 4 2 2 1 0 1 4 6 9 8 4 2 1 0 1 3 4 9 13 8 3 1 0 1 1 2 2 2 1 1 0 0 0 1 2 2 3 2 1 0 0 0 1 1 3 4 3 1 0 !Region 7: Section 7->9 0 1 1 0 1 1 1 1 0 0 1 1 0 1 1 1 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 4 3 2 1 0 0 1 2 1 2 3 1 0 0 0 1 1 1 1 2 0 0 0 1 1 2 4 14 16 7 1 0 1 2 2 2 3 6 3 2 0 0 1 1 1 1 2 1 1 0 0 2 3 8 26 39 20 5 1 1 2 2 3 6 11 8 5 1 0 1 1 1 1 1 2 2 1 0 2 4 10 30 60 41 11 2 0 2 3 3 7 15 14 7 2 0 1 2 2 2 3 3 3 1 1 2 3 7 22 48 40 13 2 1 1 3 3 5 11 13 8 2 0 1 2 2 2 2 2 3 1 1 2 2 5 10 18 18 9 2 1 2 2 4 4 5 8 8 3 0 1 1 2 2 2 2 3 2 0 1 2 3 5 10 9 5 1 0 1 2 3 3 5 6 6 3 0 1 1 1 1 2 3 3 2 0 0 1 1 2 4 3 2 0 0 0 1 1 1 2 2 2 1 0 0 1 1 1 1 1 1 1 I/Sigma = 64.07 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.002 Region 8 Sum = 26902.1; Maximum = 838.184; FM = 0.905 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 3 2 1 1 1 0 0 1 5 5 3 2 1 1 0 0 2 2 1 1 1 1 0 0 1 4 8 5 2 2 1 1 0 1 4 13 12 5 2 2 1 1 1 2 3 1 1 1 0 0 0 1 7 12 6 2 2 1 1 0 1 7 24 22 9 3 2 1 1 0 2 2 1 1 1 0 0 0 1 5 9 6 3 2 1 1 0 1 7 21 28 16 5 2 1 1 0 1 1 1 1 0 1 0 0 1 3 5 4 2 1 1 1 0 1 4 10 22 20 6 2 1 1 0 0 1 1 1 1 1 1 0 0 1 2 2 2 1 1 1 1 0 2 3 7 7 3 1 1 0 0 1 1 1 1 1 0 0 0 1 1 2 2 1 1 1 1 0 1 1 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 1 1 1 1 0 0 0 !Region 8: Section 4->6 0 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 1 4 8 5 2 1 1 0 0 1 3 6 5 2 1 1 0 0 1 1 3 4 3 1 1 0 1 2 12 22 12 4 2 1 1 0 1 7 25 23 9 2 2 1 0 1 3 17 24 12 3 2 1 1 5 28 46 28 10 4 2 1 0 2 17 52 62 38 8 2 1 0 1 5 32 67 54 12 2 1 1 5 29 63 54 21 4 1 1 0 2 18 63100 67 13 2 1 0 1 5 30 88 86 21 3 0 1 3 13 52 62 20 3 1 1 0 2 9 48 85 45 8 2 1 0 1 3 18 55 48 14 3 1 1 2 4 17 21 7 2 1 0 0 1 3 16 26 14 3 1 1 0 1 1 6 15 16 6 2 0 0 1 2 3 4 2 1 1 1 0 1 2 3 5 4 1 1 0 0 1 1 2 4 5 3 1 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 !Region 8: 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 1 1 1 2 2 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 6 11 8 3 1 0 0 1 1 1 2 3 2 1 0 0 0 1 1 0 1 1 0 0 0 1 2 9 27 28 10 2 0 0 1 1 1 3 6 5 2 0 0 0 0 0 0 1 2 1 0 0 1 1 7 29 41 18 4 1 0 1 1 2 3 8 10 4 0 0 0 0 1 1 2 3 1 0 0 1 1 4 15 22 15 6 1 1 1 1 2 2 6 10 6 1 0 0 1 1 1 1 3 3 1 0 1 1 2 5 9 9 4 1 0 1 1 1 2 4 7 5 1 0 1 1 1 1 1 3 2 1 0 1 1 1 2 4 4 3 1 0 1 1 1 1 2 4 4 1 0 0 1 0 0 1 1 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 135.28 Thresh = 0.020 Blend = F #Contributing = 124 InitialProfileWt = 0.000 Region 9 Sum = 106400; Maximum = 7437.84; FM = 0.836 !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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 9 4 1 0 0 0 0 1 6 21 14 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 4 12 7 1 0 0 0 0 1 7 31 29 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 2 9 12 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 1 4 4 1 0 0 0 0 0 0 2 2 1 0 0 0 0 0 5 26 28 7 1 0 0 0 0 3 24 40 15 1 0 0 0 0 1 12 26 13 2 0 0 0 0 6 44 69 27 2 0 0 0 0 4 40100 54 5 0 0 0 0 1 19 65 45 7 1 0 0 0 2 15 33 18 2 0 0 0 0 1 13 47 32 4 0 0 0 0 1 6 28 27 6 1 0 0 0 0 1 3 2 1 0 0 0 0 0 1 4 4 1 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 6 2 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 18 21 7 1 0 0 0 0 0 3 6 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 7 13 7 1 0 0 0 0 0 1 5 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 9 Total topped/rescanned pixels: 185 Minimum pixel ceiling(frame): 163809(neal054_14_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_14_0001.sfrm) Total spots predicted: 869 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 112* Outside frame limits: 39* Spots exceeding frame queue size: 4* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 5* 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: 708 Total spot components written: 708 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 708 Twin overlaps written: 0 Average Intensity: 49862.78 Average I/sigma: 75.684 % over "strong" threshold: 90.54 % less than 2 sigma: 1.13 % which spanned more than 1 frame: 94.92 Average X,Y,Z positional errors: 0.18 0.08 -0.01 RMS X,Y,Z positional errors: 0.80 0.45 0.16 % X,Y,Z more than 0.5 pixel: 11.58 6.21 0.99 % X,Y,Z more than 1.0 pixel: 5.37 2.54 0.28 Avg % profile volume populated: 97.33 Avg % profile volume integrated: 19.96 Avg % profile missing I: 2.73 Avg % profile missing volume: 2.67 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 6.79 5.90 5.86 Average spot-shape correlation: 0.767 RMS spot-shape correlation: 0.781 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.136 0.056 3 1.0 2.0 0.232 0.125 5 2.0 4.0 0.504 0.167 11 4.0 8.0 0.681 0.104 31 8.0 16.0 0.750 0.103 55 16.0 32.0 0.771 0.105 150 32.0 64.0 0.785 0.111 228 64.0 128.0 0.802 0.122 156 128.0 256.0 0.876 0.102 69 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): 203.821 Elapsed since INTEGRATE command (sec): 202.345 Integration time, this run (sec): 6.166 Time in unit-cell LS (sec): 0.042 Per-frame integration time (sec): 0.076 Integration completed normally ======================== 10/26/2021 10:25:17 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.0915807 will be applied to LS-fit intensities Number of spots read: 708 Number of LS-fit intensities scaled: 55 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 708 Sorting Reflection File ============================== 10/26/2021 10:25:17 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_14.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... 708 spot components in 708 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 708 spot components in 708 spots written to file /smb/isengard/data/neal054/work/neal054_14.raw Computing Reflection File Statistics ========== 10/26/2021 10:25:17 Integration of neal054 ................................................................................... Statistics for reflections in neal054_14.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 708 Number of reflection records read = 708 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 708 Number of spot components used = 708 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_14.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 6.257 11.763 13.032 90.000 96.688 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 15 0 15 0 6.7 10123.708 21.48 10.71 0.000 0.000 0.0 0.000 0.000 0.00 4.0 .92 .04 4.7 2.2 .82 32.000 27 0 27 0 0.0 15338.148 30.62 10.84 0.000 0.000 0.0 0.000 0.000 0.00 .56 .09-.07 1.3 .50 .20 64.000 28 0 28 0 0.0 12657.750 26.24 10.95 0.000 0.000 0.0 0.000 0.000 0.00 .38-.02-.09 .00 .52 .23 96.000 54 0 54 0 1.9 16745.583 30.94 11.09 0.000 0.000 0.0 0.000 0.000 0.00 .28 .11-.05 .66 .66 .14 128.000 56 1 56 1 1.8 21766.897 35.91 11.44 0.098 -0.002 4.2 0.000 0.196 0.00 .16 .03-.03 .54 .59 .12 160.000 82 3 80 5 1.2 27289.674 40.80 11.80 0.065 0.001 4.1 0.000 0.141 0.00 .06 .07-.00 .20 .20 .08 192.000 109 14 98 25 1.8 35013.458 49.43 12.31 0.071 0.001 3.3 0.000 0.149 0.00 .11 .10-.00 .19 .21 .11 224.000 113 24 101 36 0.9 46544.389 64.12 12.88 0.103 0.011 5.9 0.000 0.225 0.00 .13 .07-.01 .15 .16 .06 256.000 97 31 86 42 1.0 65838.097 92.32 13.62 0.126 0.018 10.9 0.000 0.261 0.00-.08 .04 .02 .10 .14 .08 288.000 67 25 60 32 0.0 100251.04 135.71 14.79 0.091 -0.013 11.6 0.000 0.188 0.00-.06 .02 .02 .09 .13 .07 320.000 35 13 32 16 0.0 126536.81 185.06 14.62 0.144 -0.018 23.3 0.000 0.305 0.00-.04 .01 .03 .09 .13 .07 352.000 18 6 16 8 0.0 108762.07 202.42 14.39 0.068 -0.014 14.5 0.000 0.150 0.00-.08-.01 .04 .15 .10 .17 384.000 5 1 5 1 0.0 183635.84 308.38 13.56 0.078 0.021 26.4 0.000 0.155 0.00-.07-.04-.01 .10 .07 .07 416.000 1 0 1 0 0.0 505992.00 683.77 13.33 0.000 0.000 0.0 0.000 0.000 0.00-.22-.14-.13 .22 .14 .13 448.000 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 1 0 1 0 0.0 37170.602 238.58 11.61 0.000 0.000 0.0 0.000 0.000 0.00-.56 .02-.05 .56 .02 .05 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 27 0 27 0 0.0 26193.489 44.84 11.00 0.000 0.000 0.0 0.000 0.000 0.00 .88 .66-.05 2.2 1.6 .19 32.000 34 0 34 0 0.0 33575.883 62.54 11.39 0.000 0.000 0.0 0.000 0.000 0.00 .19 .07 .02 .61 .38 .14 64.000 73 0 73 0 0.0 40708.048 70.69 11.80 0.000 0.000 0.0 0.000 0.000 0.00 .25 .10 .03 .69 .32 .32 96.000 82 0 82 0 0.0 43327.086 67.15 12.65 0.000 0.000 0.0 0.000 0.000 0.00 .08 .03-.00 .37 .14 .08 128.000 106 9 106 9 0.9 52528.347 75.70 13.47 0.063 -0.001 11.0 0.000 0.126 0.00 .17 .03-.01 .96 .18 .14 160.000 116 38 116 38 1.7 57171.794 80.00 13.60 0.136 0.053 11.9 0.000 0.271 0.00 .10 .04-.00 .57 .09 .15 192.000 99 40 99 40 0.0 57578.042 80.79 13.31 0.074 -0.002 6.2 0.000 0.149 0.00 .07 .08-.02 .22 .12 .10 224.000 72 34 72 34 2.8 69198.411 96.57 12.41 0.091 -0.014 10.5 0.000 0.182 0.00 .05 .14 .00 .37 .21 .10 256.000 51 22 51 22 2.0 28981.836 51.25 11.71 0.110 -0.043 7.7 0.000 0.221 0.00 .15 .10-.01 .70 .38 .11 288.000 37 17 37 17 5.4 50696.995 82.89 11.30 0.197 -0.078 16.8 0.000 0.393 0.00 .42-.06-.04 1.4 .77 .19 320.000 11 6 11 6 0.0 63517.182 82.71 11.23 0.080 -0.066 8.3 0.000 0.160 0.00 .59-.45-.07 1.3 1.6 .19 352.000 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_14.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 23 16 23 16 0.0 50326.913 71.59 12.46 0.088 -0.049 7.5 0.000 0.176 0.00 .01 .16 .01 .11 .20 .04 30.000 80 44 69 55 3.8 63335.868 85.72 12.92 0.099 -0.020 7.6 0.000 0.211 0.00 .01 .15 .01 .13 .21 .10 60.000 110 49 100 59 0.9 63346.574 84.25 13.49 0.131 0.011 10.9 0.000 0.291 0.00 .04 .09-.01 .14 .18 .08 90.000 112 21 108 25 0.9 63850.214 87.31 13.63 0.108 0.013 14.1 0.000 0.215 0.00 .03 .04 .01 .17 .12 .08 120.000 117 7 114 10 1.7 50519.904 78.97 12.96 0.061 -0.002 12.6 0.000 0.124 0.00 .08 .00-.01 .40 .42 .11 150.000 91 1 91 1 0.0 47088.487 70.76 12.36 0.024 0.001 4.3 0.000 0.049 0.00 .15-.06-.01 .51 .41 .10 180.000 74 0 74 0 0.0 29788.323 57.25 11.54 0.000 0.000 0.0 0.000 0.000 0.00 .14 .03-.01 .45 .22 .10 210.000 50 0 50 0 0.0 33748.522 59.73 11.13 0.000 0.000 0.0 0.000 0.000 0.00 .29 .05-.06 .94 .39 .19 240.000 34 0 34 0 2.9 18396.593 36.38 10.97 0.000 0.000 0.0 0.000 0.000 0.00 1.1 .08-.01 2.3 .75 .33 270.000 17 0 17 0 0.0 14790.941 30.49 10.79 0.000 0.000 0.0 0.000 0.000 0.00 2.0 1.2 .04 3.1 2.0 .67 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 71 24 71 24 4.2 30857.018 49.13 11.33 0.082 -0.032 4.4 0.000 0.163 0.00 .44-.10-.04 1.3 .88 .17 2.000 28 21 28 21 0.0 66489.398 121.43 11.94 0.181 -0.100 19.0 0.000 0.362 0.00-.05 .16 .00 .10 .25 .09 3.000 413 38 408 43 1.0 29458.833 45.61 12.01 0.096 0.011 4.9 0.000 0.186 0.00 .27 .14-.01 .90 .46 .19 4.000 196 48 166 78 0.5 97394.180 135.56 14.49 0.098 0.006 12.1 0.000 0.212 0.00-.07 .00 .02 .11 .10 .09 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 224 72 165 131 1.8 60413.484 81.92 13.17 0.113 -0.007 9.1 0.000 0.242 0.00 .03 .12-.00 .13 .19 .08 2.000 10 7 10 7 0.0 197789.50 296.83 13.32 0.079 -0.005 20.1 0.000 0.157 0.00-.05 .03-.07 .11 .09 .10 3.000 2 0 2 0 0.0 167064.00 207.15 11.75 0.000 0.000 0.0 0.000 0.000 0.00-.12 .09-.09 .13 .10 .09 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 6 2 6 2 0.0 39266.650 51.77 11.08 0.035 -0.014 2.3 0.000 0.070 0.00 1.1-1.0-.14 1.8 2.1 .25 6.000 68 2 68 2 1.5 16119.089 30.05 11.07 0.150 -0.002 6.4 0.000 0.300 0.00 .54-.05-.03 1.4 .63 .24 7.000 180 0 180 0 1.7 20932.653 35.22 11.52 0.000 0.000 0.0 0.000 0.000 0.00 .41 .21-.03 1.3 .66 .25 8.000 168 5 168 5 0.0 50003.635 74.15 12.86 0.131 0.009 17.8 0.000 0.262 0.00 .06 .00 .01 .15 .16 .08 9.000 50 16 47 19 0.0 119269.58 182.15 15.56 0.077 0.005 11.7 0.000 0.152 0.00-.10-.04 .05 .15 .07 .12 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.770 36 5 36 5 5.6 50732.381 88.99 12.64 0.059 0.001 9.0 0.000 0.119 0.00 .30 .05 .01 1.6 .99 .16 5.636 40 6 40 6 2.5 53947.437 87.52 12.76 0.076 0.021 8.5 0.000 0.152 0.00 .16 .02 .10 .91 .25 .42 9.501 38 8 38 8 2.6 44445.584 72.49 12.65 0.072 -0.016 5.1 0.000 0.143 0.00 .28-.14-.02 .88 .73 .11 13.367 32 5 32 5 0.0 61172.550 82.00 12.69 0.190 0.066 21.5 0.000 0.379 0.00 .12 .02-.01 .41 .21 .07 17.232 43 10 43 10 0.0 43760.204 68.17 12.60 0.066 -0.003 6.4 0.000 0.131 0.00 .03 .03 .00 .29 .21 .13 21.098 30 8 30 8 0.0 61218.287 83.26 12.44 0.088 -0.006 9.0 0.000 0.176 0.00 .18 .04-.04 .44 .17 .18 24.963 33 3 33 3 0.0 35299.112 54.90 12.05 0.028 -0.002 2.1 0.000 0.056 0.00 .33 .13-.05 1.0 .72 .12 28.829 24 7 24 7 4.2 59943.547 76.36 12.23 0.061 -0.000 6.5 0.000 0.122 0.00 .02 .08 .00 .29 .28 .09 32.694 47 13 47 13 2.1 54864.836 81.00 13.09 0.104 -0.010 12.6 0.000 0.207 0.00 .25 .11-.05 .68 .45 .13 36.560 37 14 37 14 0.0 56956.262 75.34 13.25 0.143 0.048 13.5 0.000 0.286 0.00 .33 .00 .00 1.2 .47 .27 40.425 37 7 37 7 0.0 48655.559 72.24 12.59 0.077 0.014 5.5 0.000 0.155 0.00 .09 .15 .00 .48 .28 .08 44.291 28 6 28 6 0.0 46168.250 73.46 12.62 0.152 -0.004 11.6 0.000 0.304 0.00 .16 .13-.04 .70 .33 .14 48.156 31 9 31 9 0.0 42159.932 64.09 11.82 0.193 -0.075 22.4 0.000 0.385 0.00 .09 .16-.02 .40 .26 .08 52.022 43 13 43 13 2.3 64419.038 92.82 13.07 0.110 -0.010 12.0 0.000 0.220 0.00 .11 .09-.00 .33 .20 .12 55.887 38 12 38 12 0.0 45369.637 68.06 12.74 0.075 -0.017 6.8 0.000 0.149 0.00 .20 .10 .00 .70 .55 .10 59.753 34 7 34 7 0.0 50511.996 78.96 12.73 0.060 0.009 6.1 0.000 0.120 0.00 .20 .18-.01 .71 .33 .09 63.618 29 12 29 12 0.0 36786.990 64.04 12.12 0.130 0.013 8.6 0.000 0.259 0.00 .13-.00 .00 .58 .64 .11 67.484 42 8 42 8 2.4 41406.753 66.18 12.58 0.177 -0.020 8.6 0.000 0.354 0.00 .35 .22-.03 1.5 .39 .14 71.349 39 7 39 7 0.0 47899.833 74.11 12.70 0.145 -0.015 10.8 0.000 0.290 0.00 .06 .05 .00 .27 .18 .07 75.215 27 6 27 6 0.0 51274.540 78.50 12.43 0.061 -0.025 6.9 0.000 0.122 0.00 .07 .12-.00 .36 .22 .12 79.080 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 2 0 2 0 0.0 9420.250 21.53 10.72 0.000 0.000 0.0 0.000 0.000 0.00 3.8 2.9-.24 6.3 3.9 .42 60.000 97 13 94 16 4.1 48166.079 80.97 12.63 0.068 0.007 7.2 0.000 0.137 0.00 .17-.05 .05 .81 .35 .28 70.000 97 18 96 19 0.0 54548.447 79.04 12.74 0.113 0.017 10.7 0.000 0.225 0.00 .10-.02-.01 .45 .45 .11 80.000 78 16 77 17 1.3 48965.773 70.27 12.20 0.071 0.001 6.5 0.000 0.142 0.00 .20 .09-.03 .74 .50 .14 90.000 104 29 104 29 1.0 57704.296 80.65 13.03 0.121 0.013 12.4 0.000 0.242 0.00 .23 .08-.02 .85 .42 .19 100.000 78 19 77 20 0.0 41483.296 64.07 12.30 0.153 -0.025 15.1 0.000 0.311 0.00 .13 .15-.03 .56 .30 .11 110.000 104 29 103 30 1.0 54720.308 81.97 12.82 0.090 -0.007 8.7 0.000 0.185 0.00 .18 .12-.00 .62 .40 .11 120.000 94 23 93 24 1.1 44407.932 70.51 12.53 0.146 -0.012 9.1 0.000 0.295 0.00 .21 .11-.01 1.1 .44 .12 130.000 54 11 54 11 0.0 44530.137 70.57 12.56 0.079 -0.016 8.1 0.000 0.158 0.00 .05 .08 .00 .30 .21 .10 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 10.840 76 11 76 11 3.9 52424.516 88.18 12.70 0.067 0.011 8.7 0.000 0.135 0.00 .23 .03 .06 1.3 .71 .32 10.890 97 17 95 19 1.0 50137.579 75.54 12.62 0.116 0.020 9.5 0.000 0.238 0.00 .16-.05-.02 .63 .49 .10 10.940 72 14 71 15 0.0 48568.333 71.00 12.44 0.081 -0.004 7.3 0.000 0.162 0.00 .18 .11-.03 .71 .49 .15 10.990 80 22 80 22 2.5 53781.711 76.38 12.79 0.092 -0.007 10.7 0.000 0.183 0.00 .20 .07-.04 .60 .39 .12 11.040 81 20 81 20 0.0 50002.557 71.64 12.79 0.123 0.035 10.6 0.000 0.246 0.00 .22 .09-.01 .87 .39 .20 11.090 52 14 52 14 0.0 47161.427 70.84 12.19 0.189 -0.047 18.7 0.000 0.378 0.00 .10 .15-.02 .54 .28 .10 11.140 105 30 104 31 1.0 54311.463 81.52 12.83 0.090 -0.006 8.5 0.000 0.185 0.00 .17 .12-.00 .62 .40 .11 11.190 79 21 79 21 1.3 40549.780 66.17 12.46 0.145 -0.008 8.9 0.000 0.290 0.00 .24 .12-.01 1.2 .48 .13 11.240 66 13 66 13 0.0 49280.395 75.92 12.59 0.094 -0.019 9.0 0.000 0.188 0.00 .06 .08-.00 .31 .20 .09 11.290 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.340 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 11.390 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.440 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.490 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.590 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.640 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.690 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.740 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.790 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.840 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 15.000 708 83 625 166 1.1 49870.493 75.53 12.63 0.105 0.000 10.0 0.000 0.222 0.00 .18 .08-.01 .80 .45 .16 16.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4 0 4 0100.0 47.054 0.25 11.69 0.000 0.000 0.0 0.000 0.000 0.00 2.8 .21-.19 4.7 .91 .32 0.100 3 1 3 1 66.7 266.070 1.72 12.27 0.273 -0.061 0.3 0.000 0.545 0.00-.06 .01-.03 .13 .16 .10 0.200 1 0 1 0 0.0 436.299 2.07 11.89 0.000 0.000 0.0 0.000 0.000 0.00 .53 .35-.32 .53 .35 .32 0.300 4 1 4 1 50.0 675.346 2.82 11.72 0.176 0.018 0.3 0.000 0.353 0.00 .46-.89 .02 1.6 2.0 .31 0.400 10 3 10 3 0.0 36870.477 67.14 13.03 0.131 0.042 7.5 0.000 0.263 0.00 .10 .04 .00 .18 .10 .06 0.500 48 11 48 11 0.0 40863.966 60.80 13.00 0.137 0.035 8.4 0.000 0.274 0.00 .08 .04-.01 .18 .10 .10 0.600 147 26 145 28 0.0 38768.213 58.45 12.66 0.121 0.025 8.8 0.000 0.242 0.00 .26 .14-.03 1.1 .65 .11 0.700 127 26 124 29 0.0 41205.207 61.90 12.56 0.085 0.011 6.1 0.000 0.176 0.00 .20 .09 .01 .75 .33 .26 0.800 270 53 261 62 0.0 46800.807 70.88 12.41 0.111 -0.014 10.8 0.000 0.243 0.00 .17 .05-.01 .60 .37 .15 0.900 94 29 92 31 0.0 100061.74 140.28 13.14 0.091 -0.011 14.7 0.000 0.192 0.00-.02 .09 .01 .23 .35 .08 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 695 83 612 166 1.0 50522.564 76.37 12.66 0.105 0.000 10.0 0.000 0.222 0.00 .11 .07-.00 .49 .27 .14 0.050 1 0 1 0 0.0 27107.000 40.64 10.77 0.000 0.000 0.0 0.000 0.000 0.00 2.1-.24-.09 2.1 .24 .09 0.100 1 0 1 0 0.0 25446.900 38.13 10.74 0.000 0.000 0.0 0.000 0.000 0.00 .55 .63 .31 .55 .63 .31 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 2 0 2 0 50.0 9490.761 24.26 10.89 0.000 0.000 0.0 0.000 0.000 0.00 4.9 1.2-.32 6.6 1.2 .36 0.250 2 0 2 0 0.0 19060.650 30.58 10.91 0.000 0.000 0.0 0.000 0.000 0.00 2.2-.56-.13 3.0 1.5 .14 0.300 2 0 2 0 0.0 5164.000 13.30 10.77 0.000 0.000 0.0 0.000 0.000 0.00 5.9 .81-.54 6.6 4.8 .55 0.350 3 0 3 0 0.0 9249.900 17.25 10.78 0.000 0.000 0.0 0.000 0.000 0.00 3.6 .26 .22 3.8 2.9 .82 0.400 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 1 0 1 0 0.0 29912.600 29.54 10.85 0.000 0.000 0.0 0.000 0.000 0.00 1.9 2.9-.36 1.9 2.9 .36 0.550 1 0 1 0 0.0 17479.500 18.84 10.76 0.000 0.000 0.0 0.000 0.000 0.00 6.5-2.8-.89 6.5 2.8 .89 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_14.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 45 13 45 13 2.2 34663.055 64.86 12.81 0.070 0.016 5.4 0.000 0.141 0.00 .12 .02-.02 .46 .31 .12 0.050 31 6 31 6 0.0 56201.358 79.59 12.60 0.215 0.055 21.0 0.000 0.431 0.00 .02 .04-.00 .37 .18 .08 0.100 32 6 32 6 0.0 50428.912 73.29 12.63 0.081 -0.002 7.9 0.000 0.163 0.00 .21 .03-.03 .45 .25 .10 0.150 25 5 25 5 0.0 32078.987 52.32 12.42 0.236 -0.026 14.9 0.000 0.473 0.00 .15 .15-.00 .41 .62 .11 0.200 35 6 35 6 0.0 34026.597 55.50 12.64 0.113 -0.009 10.0 0.000 0.227 0.00 .24 .05-.04 .40 .20 .11 0.250 29 5 29 5 0.0 54315.872 81.62 12.78 0.115 -0.003 8.2 0.000 0.229 0.00 .49 .17 .01 1.9 1.1 .14 0.300 40 10 39 11 2.5 52868.038 83.62 12.91 0.196 -0.002 14.7 0.000 0.394 0.00 .45 .21-.01 1.7 .55 .14 0.350 31 9 31 9 0.0 72031.249 96.65 13.16 0.099 -0.006 12.1 0.000 0.197 0.00-.01 .06 .00 .48 .27 .10 0.400 40 9 40 9 0.0 39314.685 56.83 12.34 0.109 -0.019 6.8 0.000 0.218 0.00 .20 .15-.02 .42 .27 .10 0.450 46 9 46 9 2.2 66494.538 97.13 12.53 0.074 -0.009 9.8 0.000 0.148 0.00 .26 .10 .06 .87 .39 .39 0.500 30 7 30 7 0.0 53169.602 80.17 12.52 0.066 -0.017 8.2 0.000 0.131 0.00 .06 .09 .00 .21 .18 .10 0.550 40 8 40 8 0.0 79472.270 107.88 12.47 0.077 0.004 12.1 0.000 0.155 0.00 .16 .18-.02 .84 .63 .08 0.600 27 6 27 6 0.0 50826.841 71.75 12.87 0.088 -0.014 11.2 0.000 0.176 0.00 .15-.09-.02 .60 .63 .10 0.650 31 10 31 10 0.0 75553.890 97.00 13.68 0.059 -0.009 6.6 0.000 0.118 0.00 .09 .05-.01 .35 .16 .07 0.700 44 12 44 12 0.0 59441.853 78.68 12.74 0.079 0.022 8.7 0.000 0.159 0.00 .06 .10-.03 .28 .21 .17 0.750 41 11 41 11 0.0 34401.385 54.53 12.32 0.180 -0.032 15.8 0.000 0.360 0.00 .47-.08 .03 1.3 .79 .29 0.800 34 10 34 10 0.0 44082.423 68.47 12.49 0.107 -0.026 11.2 0.000 0.214 0.00 .07 .12-.02 .39 .27 .10 0.850 28 2 28 2 0.0 23589.679 43.82 12.12 0.211 0.017 7.2 0.000 0.422 0.00 .11 .03 .02 .85 .34 .11 0.900 43 14 43 14 7.0 32638.251 58.93 12.31 0.095 0.036 7.4 0.000 0.190 0.00 .08-.00-.02 .40 .25 .11 0.950 36 7 36 7 5.6 49118.920 75.64 12.35 0.076 0.008 4.1 0.000 0.152 0.00 .10 .11-.01 .56 .30 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.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 2654.777 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5309.555 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10619.109 68 14 63 19 2.9 9321.785 24.05 13.43 0.152 -0.005 3.0 0.000 0.350 0.00 .06 .03-.01 .18 .11 .12 21238.219 312 47 301 58 1.0 37189.669 53.23 12.58 0.108 0.008 7.0 0.000 0.217 0.00 .07 .07-.00 .21 .14 .08 42476.438 218 49 209 58 0.9 44200.538 69.66 12.32 0.121 -0.004 10.7 0.000 0.235 0.00 .12 .08-.02 .52 .31 .13 84952.875 84 18 79 23 1.2 95263.029 125.51 12.78 0.101 -0.008 19.1 0.000 0.194 0.00 .74 .13 .02 1.9 1.1 .36 169905.750 21 6 21 6 0.0 194913.87 228.63 13.15 0.071 -0.001 17.2 0.000 0.143 0.00 .50 .07-.06 1.8 1.0 .23 339811.500 4 2 4 2 0.0 208563.90 345.19 13.20 0.057 0.015 17.9 0.000 0.114 0.00-.19-.01-.04 .29 .03 .04 679623.000 1 0 1 0 0.0 505992.00 683.77 13.33 0.000 0.000 0.0 0.000 0.000 0.00-.22-.14-.13 .22 .14 .13 1359246.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.782 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.564 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.346 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.128 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.911 5 0 5 0 20.0 4614.404 13.26 10.62 0.000 0.000 0.0 0.000 0.000 0.00 5.4 2.6-.25 6.3 3.2 .38 10.693 406 46 396 56 1.5 30031.536 49.75 11.52 0.123 -0.019 9.2 0.000 0.264 0.00 .24 .08-.01 .78 .48 .20 12.475 189 47 182 54 0.5 58000.919 79.59 13.25 0.093 0.008 8.2 0.000 0.193 0.00 .06 .05-.00 .15 .10 .08 14.257 61 24 60 25 0.0 103193.68 133.95 15.03 0.100 -0.008 11.0 0.000 0.199 0.00-.07 .01 .01 .09 .08 .09 16.039 47 27 43 31 0.0 124158.40 162.26 16.78 0.107 0.033 13.9 0.000 0.219 0.00-.08-.01 .01 .10 .06 .07 17.821 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 0 0.0 1637.000 6.06 10.82 0.000 0.000 0.0 0.000 0.000 0.00-2.1 1.2 .18 2.1 1.2 .18 -1.380 1 0 1 0 0.0 14197.200 28.92 10.83 0.000 0.000 0.0 0.000 0.000 0.00-1.4 .01-.04 1.4 .01 .04 -1.260 1 0 1 0 0.0 9589.500 22.94 10.90 0.000 0.000 0.0 0.000 0.000 0.00-1.1 .15 .11 1.1 .15 .11 -1.140 2 0 2 0 0.0 8756.950 19.63 10.93 0.000 0.000 0.0 0.000 0.000 0.00-1.1-.57 .11 1.1 .71 .12 -1.020 3 0 3 0 0.0 7872.333 18.21 11.03 0.000 0.000 0.0 0.000 0.000 0.00-.92 .66 .12 .92 .76 .15 -0.900 1 0 1 0 0.0 1699.200 6.20 11.26 0.000 0.000 0.0 0.000 0.000 0.00-.79 .32 .14 .79 .32 .14 -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 5 0 5 0 0.0 16826.080 42.92 11.22 0.000 0.000 0.0 0.000 0.000 0.00-.57 .28 .06 .57 .38 .14 -0.540 4 0 4 0 25.0 5317.377 15.31 11.54 0.000 0.000 0.0 0.000 0.000 0.00-.47-.01 .10 .47 .16 .11 -0.420 9 2 9 2 11.1 6507.283 18.28 11.94 0.512 -0.006 1.4 0.000 1.024 0.00-.34 .09 .11 .34 .28 .16 -0.300 27 2 27 2 3.7 42975.720 97.18 12.42 0.026 -0.002 2.3 0.000 0.051 0.00-.22 .01 .10 .23 .24 .13 -0.180 140 29 126 43 0.7 86032.664 115.85 13.66 0.078 0.004 8.9 0.000 0.180 0.00-.10 .04 .03 .11 .14 .08 -0.060 189 43 167 65 0.0 58650.098 87.20 13.11 0.119 0.001 12.7 0.000 0.236 0.00-.01 .05 .02 .04 .15 .06 0.060 139 30 128 41 0.7 47476.391 61.24 12.52 0.092 -0.007 6.2 0.000 0.181 0.00 .12 .08-.01 .13 .14 .06 0.180 88 11 87 12 0.0 33897.131 50.18 12.19 0.202 -0.003 16.0 0.000 0.402 0.00 .22 .09-.04 .22 .17 .09 0.300 25 0 25 0 0.0 13345.118 27.41 11.45 0.000 0.000 0.0 0.000 0.000 0.00 .36 .16-.05 .36 .26 .15 0.420 11 0 11 0 0.0 9628.300 21.88 11.49 0.000 0.000 0.0 0.000 0.000 0.00 .49 .13-.15 .49 .33 .17 0.540 13 1 13 1 0.0 15242.969 29.11 11.22 0.284 0.002 1.5 0.000 0.568 0.00 .60 .06-.13 .60 .32 .20 0.660 10 0 10 0 0.0 11336.520 25.31 10.96 0.000 0.000 0.0 0.000 0.000 0.00 .73 .07-.12 .73 .31 .18 0.780 3 0 3 0 0.0 22909.133 36.96 10.96 0.000 0.000 0.0 0.000 0.000 0.00 .84 .30-.17 .84 .49 .19 0.900 3 0 3 0 33.3 11976.360 26.20 11.02 0.000 0.000 0.0 0.000 0.000 0.00 .94-.03-.14 .94 .65 .14 1.020 4 0 4 0 25.0 15399.720 31.92 11.02 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.08-.18 1.1 .27 .20 1.140 1 0 1 0 0.0 2958.600 8.32 11.04 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.10 .03 1.1 .10 .03 1.260 3 0 3 0 0.0 11739.167 25.14 10.91 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.06-.34 1.3 .23 .35 1.380 25 0 25 0 4.0 9945.733 20.98 10.80 0.000 0.000 0.0 0.000 0.000 0.00 3.4 .29-.15 4.0 2.2 .70 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 6 0 6 0 0.0 6750.583 13.37 10.84 0.000 0.000 0.0 0.000 0.000 0.00 3.9-2.6-.43 4.1 2.7 .49 -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 2 0 2 0 0.0 11826.150 23.05 10.89 0.000 0.000 0.0 0.000 0.000 0.00 .31-1.0-.02 1.4 1.0 .19 -0.900 2 0 2 0 50.0 4303.740 13.20 10.97 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.85-.19 1.3 .85 .20 -0.780 1 0 1 0 0.0 13113.200 27.18 11.04 0.000 0.000 0.0 0.000 0.000 0.00-.21-.73 .19 .21 .73 .19 -0.660 1 0 1 0 0.0 1934.600 7.58 10.99 0.000 0.000 0.0 0.000 0.000 0.00 .77-.59-.16 .77 .59 .16 -0.540 3 1 3 1 0.0 11004.433 23.80 11.15 0.019 0.002 0.2 0.000 0.039 0.00 .64-.45-.12 .75 .45 .13 -0.420 6 1 6 1 0.0 5512.792 18.54 11.62 0.280 0.010 2.2 0.000 0.560 0.00 .33-.34-.00 .42 .34 .30 -0.300 17 1 17 1 0.0 27045.489 55.19 11.30 0.357 0.002 3.0 0.000 0.714 0.00 .40-.24 .04 1.1 .24 .15 -0.180 79 8 79 8 2.5 51603.035 86.71 12.61 0.072 0.006 9.2 0.000 0.144 0.00 .08-.11 .01 .37 .11 .11 -0.060 267 48 253 62 0.4 64243.050 92.61 13.53 0.106 0.015 10.6 0.000 0.215 0.00-.00 .00 .01 .18 .03 .07 0.060 170 38 162 46 0.0 49663.982 68.32 12.49 0.073 0.008 7.4 0.000 0.147 0.00 .10 .12-.02 .23 .12 .07 0.180 84 23 82 25 2.4 37138.413 55.62 11.72 0.090 -0.023 7.2 0.000 0.188 0.00 .16 .23-.02 .48 .23 .18 0.300 33 16 33 16 0.0 38577.961 61.26 11.71 0.187 -0.142 14.5 0.000 0.374 0.00 .07 .34 .02 .32 .34 .11 0.420 14 4 14 4 0.0 21182.320 41.60 11.37 0.282 -0.105 13.8 0.000 0.565 0.00 .18 .50-.07 .61 .50 .28 0.540 4 2 4 2 25.0 28295.019 59.98 11.29 0.974 -0.674 62.3 0.000 1.948 0.00 .30 .60 .16 .52 .60 .22 0.660 4 0 4 0 0.0 19091.225 33.50 10.89 0.000 0.000 0.0 0.000 0.000 0.00 .78 .72-.07 1.3 .72 .14 0.780 4 0 4 0 0.0 19107.450 34.20 10.89 0.000 0.000 0.0 0.000 0.000 0.00 1.1 .84-.18 1.3 .84 .18 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 2 0 2 0 0.0 5246.900 15.53 10.96 0.000 0.000 0.0 0.000 0.000 0.00 2.0 1.1-.42 2.0 1.1 .42 1.140 2 0 2 0 0.0 3520.850 10.48 10.99 0.000 0.000 0.0 0.000 0.000 0.00-1.5 1.2 .20 1.6 1.2 .21 1.260 1 0 1 0 0.0 2647.600 9.05 10.70 0.000 0.000 0.0 0.000 0.000 0.00 4.1 1.3 2.6 4.1 1.3 2.6 1.380 6 0 6 0 16.7 7802.270 17.33 10.68 0.000 0.000 0.0 0.000 0.000 0.00 5.4 3.0-.32 6.1 3.3 .40 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 2 0 2 0 0.0 10750.200 16.53 10.86 0.000 0.000 0.0 0.000 0.000 0.00 4.0-1.2-.89 4.7 2.0 .90 -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 0 0.0 9251.000 20.25 10.54 0.000 0.000 0.0 0.000 0.000 0.00 8.8 5.6-.59 8.8 5.6 .59 -0.540 4 1 4 1 25.0 2575.579 8.94 11.41 1.246 -0.067 3.2 0.000 2.492 0.00 3.8-.34-.48 5.1 2.2 .48 -0.420 12 1 12 1 8.3 7352.273 17.57 11.16 0.284 0.005 1.5 0.000 0.568 0.00 2.2 .33-.36 2.6 2.0 .36 -0.300 24 3 24 3 0.0 18446.229 39.77 11.52 0.068 -0.022 7.1 0.000 0.137 0.00 .73 .09-.22 .93 .44 .22 -0.180 124 24 123 25 1.6 44586.417 71.37 12.33 0.086 -0.011 9.6 0.000 0.182 0.00 .34 .09-.10 .71 .31 .10 -0.060 391 74 356 109 0.3 56553.791 77.64 12.81 0.107 0.009 10.6 0.000 0.221 0.00 .04 .06-.00 .19 .14 .03 0.060 129 24 129 24 0.8 54151.237 87.77 12.92 0.123 -0.017 10.0 0.000 0.246 0.00-.08 .04 .10 .35 .24 .10 0.180 14 2 14 2 7.1 3390.322 11.84 11.79 0.143 -0.022 2.4 0.000 0.287 0.00-.35 .29 .21 .70 .56 .21 0.300 3 1 3 1 33.3 13197.759 29.51 11.17 0.176 0.001 0.3 0.000 0.353 0.00-.02 .40 .32 .40 .49 .32 0.420 1 0 1 0 0.0 799.710 4.70 14.59 0.000 0.000 0.0 0.000 0.000 0.00-.14-.17 .44 .14 .17 .44 0.540 1 0 1 0 0.0 266.849 4.60 11.69 0.000 0.000 0.0 0.000 0.000 0.00 .31-.33 .59 .31 .33 .59 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 1 0 1 0 0.0 18789.000 27.34 10.80 0.000 0.000 0.0 0.000 0.000 0.00 2.7 .19 1.3 2.7 .19 1.3 1.380 1 0 1 0 0.0 2647.600 9.05 10.70 0.000 0.000 0.0 0.000 0.000 0.00 4.1 1.3 2.6 4.1 1.3 2.6 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 542 0 542 0 1.1 41726.050 65.38 12.29 0.000 0.000 0.0 0.000 0.000 0.00 .23 .07-.01 .91 .51 .18 1.000 166 83 83 166 1.2 76462.588 104.41 13.73 0.105 0.000 10.0 0.000 0.222 0.00 .01 .11-.01 .12 .19 .09 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_14.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 708 83 625 166 1.1 49870.493 75.53 12.63 0.105 0.000 10.0 0.000 0.222 0.00 .18 .08-.01 .80 .45 .16 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_14.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 109 26 83 52 0.0 122288.07 175.19 15.20 0.107 0.000 16.8 0.000 0.225 0.00-.07 .01 .02 .12 .10 .09 1.886 106 21 85 42 0.9 67550.728 95.93 13.50 0.105 0.000 9.1 0.000 0.221 0.00-.06 .03 .02 .10 .13 .08 1.499 88 15 73 30 0.0 49337.412 67.70 12.80 0.127 0.000 8.3 0.000 0.286 0.00 .09 .06 .01 .14 .14 .06 1.311 79 11 68 22 1.3 39557.352 55.92 12.47 0.082 0.000 4.8 0.000 0.170 0.00 .12 .10-.01 .17 .20 .11 1.191 73 7 66 14 2.7 32171.432 46.28 12.10 0.052 0.000 2.0 0.000 0.109 0.00 .10 .11 .00 .18 .22 .08 1.106 66 2 64 4 1.5 27309.410 40.87 11.76 0.062 0.000 4.2 0.000 0.132 0.00 .06 .08-.01 .22 .21 .09 1.041 56 1 55 2 0.0 22761.239 36.06 11.45 0.089 0.000 3.9 0.000 0.196 0.00 .20 .07-.03 .57 .70 .12 0.989 55 0 55 0 3.6 15391.562 29.78 11.14 0.000 0.000 0.0 0.000 0.000 0.00 .26 .02-.04 .70 .58 .14 0.946 40 0 40 0 0.0 16283.975 30.54 10.96 0.000 0.000 0.0 0.000 0.000 0.00 .30 .06-.04 .78 .38 .14 0.909 36 0 36 0 2.8 11898.595 25.49 10.79 0.000 0.000 0.0 0.000 0.000 0.00 2.0 .44-.06 3.2 1.5 .57 0.878 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 24 6 22 8 33.3 459.456 2.72 12.68 0.617 -0.212 1.7 0.000 1.496 0.00 .44 .05 .00 2.0 .43 .26 988.266 23 3 23 3 0.0 1436.178 5.89 11.72 0.314 0.043 2.2 0.000 0.628 0.00 .45 .12-.09 1.4 1.2 .22 1976.531 26 3 25 4 0.0 3051.192 9.24 11.71 0.292 -0.023 3.4 0.000 0.755 0.00 .85 .09 .09 1.7 .85 .53 3953.062 68 6 64 10 0.0 5932.943 16.25 12.19 0.187 -0.019 4.6 0.000 0.503 0.00 .20 .04-.02 .77 .52 .16 7906.125 92 5 90 7 0.0 11733.836 25.23 11.93 0.174 0.010 6.3 0.000 0.393 0.00 .26 .09-.03 1.1 .65 .13 15812.250 154 15 145 24 0.0 23173.396 38.32 11.97 0.143 -0.013 6.7 0.000 0.338 0.00 .25 .11-.02 .75 .40 .16 31624.500 142 25 132 35 0.0 45384.622 60.13 12.72 0.139 -0.011 10.6 0.000 0.339 0.00 .05 .07 .00 .16 .16 .06 63249.000 117 29 101 45 0.0 86996.081 90.70 13.40 0.118 -0.005 12.0 0.000 0.303 0.00 .02 .08 .01 .12 .16 .06 126498.000 51 15 41 25 0.0 183322.12 173.18 14.62 0.089 0.015 16.0 0.000 0.215 0.00-.05 .02-.00 .09 .08 .07 252996.000 11 3 9 5 0.0 378243.36 275.82 15.50 0.063 0.006 13.8 0.000 0.137 0.00-.10 .00-.01 .11 .07 .07 505992.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6 1 5 2100.0 107.575 0.58 11.68 0.214 0.000 0.3 0.000 0.545 0.00 1.8 .21-.10 3.9 .78 .30 1.921 10 2 10 2 20.0 568.148 2.75 12.40 0.671 -0.122 1.6 0.000 1.341 0.00 .84 .01-.15 1.9 1.7 .27 3.690 26 4 25 5 0.0 1147.939 5.45 12.21 0.525 -0.041 2.3 0.000 1.339 0.00 .03 .13 .03 .64 .39 .22 7.087 50 5 49 6 0.0 3587.576 10.40 11.73 0.146 0.009 1.6 0.000 0.351 0.00 .60 .03 .01 1.4 .81 .42 13.613 106 6 103 9 0.0 8838.108 20.54 11.92 0.195 -0.007 4.4 0.000 0.511 0.00 .33 .07-.04 1.3 .67 .15 26.149 219 18 206 31 0.0 24132.942 38.57 11.94 0.106 0.000 4.8 0.000 0.225 0.00 .19 .10-.01 .49 .30 .13 50.228 177 35 154 58 0.0 62404.983 71.81 12.99 0.114 -0.007 9.6 0.000 0.250 0.00 .04 .08 .01 .13 .16 .06 96.480 78 24 66 36 0.0 116969.26 130.32 14.66 0.126 0.004 16.7 0.000 0.249 0.00-.06 .03 .02 .10 .13 .06 185.323 34 10 27 17 0.0 230613.99 233.80 14.41 0.072 0.006 17.3 0.000 0.145 0.00-.08 .01-.01 .13 .08 .08 355.976 2 0 2 0 0.0 430321.50 539.59 14.77 0.000 0.000 0.0 0.000 0.000 0.00-.15-.10-.07 .17 .11 .09 683.773 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 34 17 17 34 0.0 74878.292 90.06 13.27 0.018 0.000 1.5 0.000 0.036 0.00 .02 .12-.01 .13 .19 .07 0.030 18 10 10 18 0.0 111932.88 139.44 15.01 0.044 0.007 4.9 0.000 0.093 0.00-.04 .03-.01 .10 .08 .05 0.060 27 18 18 27 0.0 104625.46 136.36 13.72 0.068 0.009 7.7 0.000 0.135 0.00-.01 .11-.01 .08 .15 .07 0.090 27 22 22 27 0.0 77350.626 98.42 13.62 0.104 0.039 9.1 0.000 0.211 0.00 .03 .16 .01 .11 .24 .07 0.120 11 11 11 11 0.0 84570.737 100.37 14.34 0.130 -0.053 12.8 0.000 0.261 0.00-.00 .09 .00 .10 .13 .04 0.150 8 8 8 8 12.5 58604.984 110.76 13.66 0.158 -0.071 14.6 0.000 0.315 0.00-.07 .17 .06 .14 .25 .12 0.180 5 5 5 5 0.0 66167.359 78.59 13.82 0.190 0.084 14.9 0.000 0.380 0.00 .06 .08-.03 .11 .10 .05 0.210 8 8 8 8 0.0 60925.050 83.85 14.44 0.228 0.145 16.5 0.000 0.456 0.00 .01 .06 .01 .10 .11 .05 0.240 2 2 2 2 0.0 49899.602 74.26 15.73 0.264 0.264 16.2 0.000 0.528 0.00-.05 .00-.02 .05 .01 .02 0.270 7 7 7 7 14.3 20076.051 50.53 12.91 0.282 0.208 9.0 0.000 0.564 0.00 .12-.02-.10 .24 .20 .20 0.300 1 1 1 1 0.0 89823.500 86.20 12.14 0.301 -0.301 25.9 0.000 0.602 0.00 .11 .31 .06 .11 .31 .06 0.330 4 4 4 4 0.0 68651.175 111.71 13.57 0.332 0.236 21.7 0.000 0.664 0.00 .07-.02-.09 .12 .13 .12 0.360 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.390 2 2 2 2 0.0 41094.749 66.93 11.41 0.404 -0.404 26.4 0.000 0.808 0.00-.09 .31 .04 .09 .31 .04 0.420 2 2 2 2 0.0 67177.300 98.78 12.86 0.429 -0.429 39.3 0.000 0.858 0.00-.02 .28 .03 .03 .28 .06 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.480 1 1 1 1 0.0 6329.500 32.16 12.94 0.500 -0.500 16.1 0.000 1.000 0.00-.07 .02-.05 .07 .02 .05 0.510 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 1 1 1 1 0.0 40742.602 72.73 11.54 0.569 -0.569 41.4 0.000 1.139 0.00 .03 .52 .10 .03 .52 .10 0.570 8 8 8 8 0.0 16631.304 54.86 13.34 0.845 -0.845 26.3 0.000 1.690 0.00 .04 .19-.03 .17 .32 .21 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 10 10 10 10 0.0 18012.254 56.60 13.12 0.770 -0.770 26.8 0.000 1.541 0.00 .03 .21-.02 .15 .33 .19 -0.460 2 2 2 2 0.0 67177.300 98.78 12.86 0.429 -0.429 39.3 0.000 0.858 0.00-.02 .28 .03 .03 .28 .06 -0.420 2 2 2 2 0.0 41094.749 66.93 11.41 0.404 -0.404 26.4 0.000 0.808 0.00-.09 .31 .04 .09 .31 .04 -0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.340 2 2 2 2 0.0 64473.051 84.75 12.73 0.312 -0.312 26.8 0.000 0.625 0.00 .08 .24-.02 .08 .25 .08 -0.300 2 2 2 2 50.0 9073.478 24.80 11.23 0.284 -0.284 4.7 0.000 0.569 0.00 .04 .07-.07 .07 .23 .11 -0.260 3 3 3 3 0.0 19276.367 44.33 13.46 0.232 -0.232 10.5 0.000 0.464 0.00-.01 .12 .02 .09 .17 .06 -0.220 3 3 3 3 0.0 41507.033 73.76 14.64 0.195 -0.195 16.1 0.000 0.391 0.00 .00 .06 .01 .07 .10 .07 -0.180 5 5 5 5 0.0 94275.700 136.17 14.50 0.155 -0.155 20.4 0.000 0.310 0.00-.07 .09 .01 .10 .16 .07 -0.140 13 13 13 13 0.0 62491.508 85.98 13.03 0.122 -0.122 9.3 0.000 0.244 0.00 .03 .23 .00 .09 .27 .03 -0.100 16 16 16 16 0.0 98441.806 130.53 14.10 0.075 -0.075 8.0 0.000 0.150 0.00-.02 .16 .01 .08 .24 .10 -0.060 15 15 15 15 0.0 92805.293 124.07 13.98 0.037 -0.037 3.7 0.000 0.075 0.00-.05 .09-.01 .13 .15 .07 -0.020 21 11 11 21 0.0 68166.192 79.70 12.94 0.012 0.000 0.9 0.000 0.024 0.00 .06 .12-.02 .12 .21 .07 0.020 16 16 16 16 0.0 108567.77 128.34 14.98 0.038 0.038 4.1 0.000 0.076 0.00-.03 .04-.01 .11 .10 .05 0.060 23 23 23 23 0.0 89025.153 114.24 13.17 0.073 0.073 7.3 0.000 0.146 0.00 .03 .11-.01 .10 .14 .04 0.100 11 11 11 11 0.0 116006.35 123.47 15.10 0.113 0.113 13.7 0.000 0.226 0.00 .02 .03-.00 .11 .10 .06 0.140 5 5 5 5 20.0 25997.395 59.06 13.72 0.156 0.156 8.4 0.000 0.312 0.00-.10 .18 .08 .16 .28 .14 0.180 3 3 3 3 0.0 79230.033 81.50 14.00 0.191 0.191 14.5 0.000 0.382 0.00 .07 .06-.03 .13 .08 .04 0.220 5 5 5 5 0.0 82171.380 92.38 15.07 0.229 0.229 18.5 0.000 0.458 0.00 .03 .03-.01 .11 .03 .03 0.260 6 6 6 6 0.0 34920.767 68.48 13.72 0.275 0.275 12.7 0.000 0.550 0.00 .12-.04-.10 .26 .17 .20 0.300 1 1 1 1 0.0 230889.00 161.12 16.17 0.331 0.331 53.3 0.000 0.661 0.00-.07-.03-.01 .07 .03 .01 0.340 2 2 2 2 0.0 2296.550 8.41 12.39 0.348 0.348 2.9 0.000 0.696 0.00 .15-.11-.13 .17 .14 .15 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 17 10 10 17 11.8 33027.598 53.84 12.56 0.012 -0.000 0.5 0.000 0.025 0.00 .04 .13-.00 .16 .26 .11 1.000 23 15 15 23 0.0 54372.309 76.56 13.52 0.018 0.003 1.4 0.000 0.039 0.00 .04 .11-.02 .16 .15 .10 2.000 14 10 10 14 0.0 21477.925 54.80 13.73 0.047 -0.007 2.6 0.000 0.104 0.00-.01 .05-.01 .12 .22 .14 3.000 14 9 9 14 0.0 56607.100 75.11 12.93 0.046 0.013 3.5 0.000 0.091 0.00 .03 .15-.05 .11 .19 .14 4.000 11 9 9 11 0.0 59112.926 89.86 13.54 0.051 -0.015 4.6 0.000 0.105 0.00-.03 .10 .02 .12 .20 .07 5.000 6 6 6 6 0.0 80383.285 95.65 13.73 0.058 0.041 5.5 0.000 0.116 0.00 .01 .09 .01 .13 .16 .02 6.000 7 6 6 7 0.0 43537.300 66.98 12.76 0.099 0.008 6.5 0.000 0.188 0.00-.01 .18-.02 .13 .24 .05 7.000 3 3 3 3 0.0 62697.000 70.08 12.99 0.109 0.065 7.6 0.000 0.217 0.00 .17 .15-.00 .18 .18 .07 8.000 4 4 4 4 0.0 78347.250 80.17 12.44 0.110 0.014 8.8 0.000 0.221 0.00 .06 .22-.01 .12 .25 .06 9.000 6 6 6 6 0.0 66490.000 99.56 13.62 0.095 -0.006 9.4 0.000 0.190 0.00-.00 .09-.01 .08 .14 .03 10.000 5 5 5 5 0.0 139788.34 137.14 14.38 0.077 0.009 10.5 0.000 0.154 0.00 .03 .14 .01 .10 .21 .03 11.000 4 4 4 4 0.0 94005.526 123.39 14.67 0.094 -0.033 11.6 0.000 0.189 0.00-.02 .09 .03 .04 .13 .05 12.000 8 6 6 8 0.0 168344.24 161.18 15.66 0.077 -0.011 12.5 0.000 0.148 0.00-.07 .06 .01 .08 .09 .07 13.000 6 6 6 6 0.0 138623.37 147.33 15.89 0.091 0.024 13.4 0.000 0.182 0.00 .01-.00-.02 .10 .04 .05 14.000 4 4 4 4 0.0 148265.82 182.63 14.04 0.079 0.015 14.4 0.000 0.157 0.00-.05 .11-.00 .08 .18 .06 15.000 3 3 3 3 0.0 101456.30 181.81 14.49 0.086 0.049 15.7 0.000 0.172 0.00-.06 .02 .05 .07 .07 .07 16.000 4 4 4 4 0.0 62462.475 147.20 14.10 0.110 -0.039 16.2 0.000 0.220 0.00-.02 .06-.05 .07 .11 .14 17.000 4 4 4 4 0.0 46021.200 79.04 15.78 0.221 0.072 17.4 0.000 0.442 0.00-.05 .01 .01 .06 .03 .05 18.000 2 2 2 2 0.0 120487.10 92.83 13.81 0.203 0.203 18.8 0.000 0.405 0.00 .15 .07-.04 .16 .07 .04 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 2 2 2 2 0.0 158701.00 173.82 14.11 0.118 -0.118 20.6 0.000 0.237 0.00-.05 .11-.00 .05 .22 .03 21.000 3 3 3 3 0.0 111906.47 152.57 14.17 0.139 0.018 21.2 0.000 0.278 0.00-.06 .10-.03 .08 .16 .06 22.000 1 1 1 1 0.0 87139.203 86.27 14.43 0.266 0.266 23.0 0.000 0.532 0.00-.04 .01-.03 .04 .01 .03 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 15 11 11 15 0.0 125585.63 149.31 13.79 0.264 -0.057 40.5 0.000 0.573 0.00 .01 .21 .00 .08 .28 .06 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 708 83 625 166 1.1 49870.493 75.53 12.63 0.105 0.000 10.0 0.000 0.222 0.00 .18 .08-.01 .80 .45 .16 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 57 0 57 0 1.8 84502.907 109.83 13.32 0.000 0.000 0.0 0.000 0.000 0.00 .11-.02 .02 .60 .71 .14 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_14.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.886 83 165 50.30 1.31 0.107 26 15.76 0.107 175.19 0.0 to 1.499 168 328 51.22 1.28 0.106 47 14.33 0.105 95.93 0.9 to 1.311 241 483 49.90 1.26 0.109 62 12.84 0.127 67.70 0.0 to 1.191 309 641 48.21 1.24 0.107 73 11.39 0.082 55.92 1.3 to 1.106 375 796 47.11 1.21 0.105 80 10.05 0.052 46.28 2.7 to 1.041 439 945 46.46 1.19 0.105 82 8.68 0.062 40.87 1.5 to 0.989 494 1110 44.50 1.17 0.105 83 7.48 0.089 36.06 0.0 to 0.946 549 1261 43.54 1.15 0.105 83 6.58 0.000 29.78 3.6 to 0.909 589 1402 42.01 1.14 0.105 83 5.92 0.000 30.54 0.0 to 0.878 625 1560 40.06 1.13 0.105 83 5.32 0.000 25.49 2.8