SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:23:32 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 8 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 29.50 (from frame neal054_07_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_07_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_07_0001.sfrm) Base offset per exposure: 64 (from frame neal054_07_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_07_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 10:23:32 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_07_0001.sfrm Nominal time per frame (s): 50 Intensity normalization in deg/min: 1.2 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:23:34 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_07_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 10:23:34 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_07_0001.sfrm Active pixel mask written to neal054_am_07_0001.sfrm Fraction of mask marked active: 0.9773 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 77.435 346.441 204.000 65.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 92 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:23:34 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 98.51% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 2_0003 4 0.21 -0.35 0.20 0.35 0.41 0.61 72086 87 0 0.25 24 0.78 0.78 2.27 1.000 3_0004 9 0.41 -0.53 0.13 0.77 0.87 0.33 40701 61 22 0.55 27 0.78 0.78 2.27 1.000 4_0005 8 0.01 -0.24 0.20 0.25 0.36 0.34 17159 49 0 0.55 27 0.78 0.78 2.27 1.000 5_0006 16 -0.09 -0.58 0.15 0.33 0.67 0.25 17393 46 6 0.61 28 0.78 0.78 2.27 1.000 6_0007 6 -0.30 -0.18 0.35 0.47 0.41 0.95 13469 31 0 0.61 26 0.78 0.78 2.27 1.000 7_0008 12 -0.05 -0.39 0.03 0.24 0.49 0.28 8570.5 24 17 0.50 25 0.78 0.78 2.27 1.000 8_0009 10 0.04 -0.36 0.19 0.35 0.46 0.26 57230 96 0 0.68 28 0.78 0.78 2.27 1.000 9_0010 11 0.17 -0.34 0.23 0.64 0.37 0.88 8036.3 29 9 0.57 25 0.78 0.78 2.27 1.000 10_0011 7 0.11 -0.59 0.07 0.34 0.85 0.26 77014 93 0 0.69 29 0.78 0.78 2.27 1.000 11_0012 9 0.18 -0.50 0.38 0.54 0.65 0.62 64085 91 11 0.65 27 0.78 0.78 2.27 1.000 12_0013 18 0.06 -0.44 0.18 0.31 0.61 0.37 58623 64 17 0.62 26 0.78 0.78 2.27 1.000 13_0014 11 -0.08 -0.40 0.13 0.42 0.59 0.23 39194 71 0 0.66 27 0.78 0.78 2.27 1.000 14_0015 8 0.14 -0.11 -0.23 0.68 0.21 0.78 1339.3 9 38 0.50 25 0.78 0.78 2.27 1.000 15_0016 10 -0.06 -0.49 0.16 0.25 0.67 0.34 15136 31 10 0.64 27 0.78 0.78 2.27 1.000 16_0017 7 -0.11 -0.38 -0.02 0.38 0.44 0.15 18268 48 0 0.70 28 0.78 0.78 2.27 1.000 17_0018 10 -0.06 -0.49 0.08 0.24 0.56 0.26 30064 65 0 0.66 28 0.78 0.78 2.27 1.000 18_0019 9 0.08 -0.38 0.25 0.25 0.49 0.36 90970 113 0 0.68 25 0.78 0.78 2.27 1.000 19_0020 14 0.00 -0.45 0.09 0.19 0.63 0.25 15490 42 0 0.67 27 0.78 0.78 2.27 1.000 Background pixels updated = 98.16% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.02 -0.20 0.11 0.38 0.25 0.22 29926 50 0 0.60 26 0.78 0.78 2.27 1.000 21_0022 6 0.20 -0.25 0.04 0.54 0.36 0.23 13252 35 0 0.68 26 0.78 0.78 2.27 1.000 22_0023 9 0.06 -0.30 0.20 0.26 0.37 0.28 78176 87 0 0.69 26 0.78 0.78 2.27 1.000 23_0024 7 -0.03 -0.39 0.16 0.14 0.42 0.24 42305 77 0 0.69 28 0.78 0.78 2.27 1.000 24_0025 9 0.25 -0.43 0.02 0.93 0.53 0.22 18350 43 11 0.65 26 0.78 0.78 2.27 1.000 25_0026 11 0.18 -0.29 -0.12 0.40 0.41 0.69 23341 48 9 0.65 25 0.78 0.78 2.27 1.000 26_0027 5 -0.08 -0.43 0.16 0.18 0.49 0.18 68315 76 0 0.64 27 0.78 0.78 2.27 1.000 27_0028 17 0.00 -0.25 -0.01 0.20 0.33 0.53 36016 63 6 0.67 28 0.78 0.78 2.27 1.000 I/Sigma = 37.68 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.069 Region 1 Sum = 9490.47; Maximum = 138.416; FM = 0.472 !Region 1: Section 1->3 0 2 1 1 1 1 0 0 0 3 15 7 4 3 2 1 0 0 14 34 20 11 7 4 3 1 0 1 2 2 1 2 1 1 1 0 11 17 10 6 5 3 2 2 1 30 44 31 20 13 7 4 2 1 1 2 1 1 1 1 1 1 0 9 17 8 5 4 3 3 2 1 26 39 24 15 10 6 4 2 1 1 1 1 1 1 1 1 1 0 6 10 5 4 4 3 2 2 1 18 27 18 13 9 5 3 2 1 0 1 0 0 1 1 1 1 0 3 7 3 2 2 2 2 2 1 8 16 11 8 6 4 3 2 1 0 1 1 0 1 0 0 0 0 2 5 3 2 2 2 1 1 1 7 13 11 8 5 3 2 2 1 0 1 1 0 1 0 0 1 1 1 2 2 2 2 1 1 1 1 4 8 8 6 4 3 2 2 1 0 0 1 1 1 0 0 0 0 1 2 2 2 1 1 1 1 1 3 6 6 5 3 2 3 2 1 0 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 2 3 4 3 2 1 2 1 1 !Region 1: Section 4->6 28 51 46 26 18 13 8 3 1 21 42 53 31 27 23 12 5 2 5 14 20 15 16 17 9 4 1 35 59 65 67 53 36 22 11 3 19 46 73100 99 77 48 25 7 6 17 32 54 65 56 36 20 6 31 46 44 42 32 24 16 8 2 16 33 47 60 57 49 34 19 6 4 13 22 34 38 36 27 16 5 24 39 39 41 30 20 13 7 2 14 31 45 59 54 45 32 19 7 4 12 20 31 36 36 29 19 7 12 24 27 27 21 17 11 7 2 9 23 35 43 41 37 27 18 6 3 10 18 25 29 29 24 19 6 12 22 24 22 17 13 10 6 2 9 21 30 33 31 29 24 16 6 3 9 15 19 24 26 25 19 7 9 19 25 24 19 15 11 6 2 9 23 35 39 38 34 26 18 6 4 10 17 22 27 28 26 20 7 6 14 18 18 14 11 9 5 2 7 18 27 30 30 26 21 14 5 3 9 15 19 23 23 23 19 7 4 9 14 11 7 6 6 3 1 5 12 21 17 13 13 12 8 3 2 6 11 10 9 10 10 9 3 !Region 1: Section 7->9 1 2 2 2 4 5 3 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 8 12 13 9 6 2 1 1 1 1 1 1 2 2 1 1 1 0 0 0 0 1 1 0 1 2 3 6 8 9 8 5 2 1 1 1 1 1 1 2 2 1 0 0 1 0 0 0 1 1 0 1 2 3 5 8 11 10 7 3 0 1 2 1 1 1 3 2 1 0 0 1 0 0 0 1 1 0 0 2 4 5 7 9 9 9 3 0 1 1 1 2 2 3 3 1 0 0 1 1 0 1 1 0 0 1 2 3 4 7 9 11 9 3 0 1 1 1 1 2 3 2 1 0 0 1 0 0 1 1 0 0 1 2 3 4 7 9 12 12 4 0 1 1 1 2 2 3 3 1 0 0 0 0 1 1 0 0 0 1 2 3 4 6 8 11 12 4 0 1 1 1 1 2 3 4 2 0 0 1 1 1 1 0 0 0 0 1 2 3 3 4 6 6 2 0 2 2 2 2 3 2 2 1 0 1 1 1 1 2 0 0 0 I/Sigma = 260.97 Thresh = 0.020 Blend = F #Contributing = 71 InitialProfileWt = 0.031 Region 2 Sum = 333859; Maximum = 5196.54; FM = 0.782 !Region 2: Section 1->3 0 1 1 0 0 0 0 0 0 2 6 10 7 2 1 0 0 0 4 12 21 25 16 7 2 0 0 0 1 1 1 0 0 0 0 0 3 9 15 14 7 3 1 0 0 6 20 35 37 25 11 3 1 0 1 1 2 2 1 0 0 0 0 4 12 20 20 13 5 1 0 0 7 25 46 55 44 20 6 1 0 1 2 3 2 1 0 0 0 0 5 15 25 24 16 6 1 0 0 8 30 55 63 49 21 5 1 0 1 1 2 2 1 1 0 0 0 3 11 21 25 18 9 2 0 0 6 22 45 56 46 25 6 1 0 0 1 2 1 1 0 0 0 0 3 8 15 16 12 6 1 0 0 4 16 35 41 35 19 4 1 0 0 1 1 1 0 0 0 0 0 2 5 10 11 7 3 1 0 0 2 9 23 28 21 8 2 0 0 0 0 1 0 0 0 0 0 0 1 2 5 6 4 1 0 0 0 1 4 11 16 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 1 2 5 3 1 0 0 0 !Region 2: Section 4->6 3 9 21 40 36 20 6 1 0 1 3 11 26 30 19 6 1 0 0 1 3 7 10 7 2 1 0 6 22 42 56 52 29 10 2 0 3 14 31 49 57 37 15 3 0 1 4 11 21 28 20 9 2 0 6 25 59 90 83 47 17 4 1 3 15 50 91 89 55 23 5 1 1 5 20 40 43 29 12 3 1 7 29 65 92 90 57 22 4 0 3 17 53 87100 80 37 7 1 1 6 23 42 50 42 20 5 1 4 21 52 73 70 46 19 4 0 2 14 46 74 77 58 31 8 1 1 6 23 39 43 35 20 6 1 3 16 44 62 58 35 11 2 0 2 10 39 63 63 41 16 4 1 1 4 18 32 35 25 12 3 1 1 8 25 42 36 17 5 1 0 1 4 20 44 43 24 9 3 0 0 2 9 22 24 16 8 3 1 1 3 10 18 15 7 2 1 0 0 1 6 15 18 11 4 2 0 0 1 3 7 10 8 4 2 1 0 1 2 5 3 1 0 0 0 0 1 2 4 3 2 1 1 0 0 0 1 2 2 2 1 1 0 !Region 2: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 9 7 4 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 11 9 5 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 11 10 6 3 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 9 8 5 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 6 6 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 141.86 Thresh = 0.020 Blend = F #Contributing = 38 InitialProfileWt = 0.090 Region 3 Sum = 82770.6; Maximum = 1315.21; FM = 0.817 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 2 3 7 8 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 1 3 8 12 14 10 3 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 2 4 9 13 14 11 4 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 1 2 5 10 13 13 10 4 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 3 6 10 11 11 7 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 1 3 6 9 9 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 6 5 3 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 !Region 3: Section 4->6 0 1 4 8 24 27 17 6 1 0 1 4 13 34 40 26 9 1 0 1 2 8 20 24 17 6 1 1 2 8 23 43 53 39 14 2 1 2 9 34 67 83 58 23 4 0 1 5 21 45 55 39 17 4 1 3 10 27 47 57 44 16 2 1 3 15 48 83 96 68 26 5 0 2 10 37 64 70 47 19 4 1 4 13 30 47 56 41 15 2 1 5 24 62 90100 67 23 4 0 4 21 55 78 78 48 17 3 1 5 16 31 44 46 29 9 1 1 9 33 66 89 87 52 17 3 1 9 31 62 82 74 42 13 3 1 7 16 29 34 30 15 5 1 2 14 34 61 74 63 31 10 2 2 14 33 60 72 58 28 9 2 1 6 13 21 22 15 7 2 1 2 12 28 47 50 36 15 5 1 2 12 27 48 51 35 14 5 1 1 4 9 13 11 7 3 1 0 1 8 19 29 27 17 7 3 1 1 7 19 30 27 17 8 3 1 0 1 3 4 3 2 1 0 0 0 3 7 10 7 5 2 1 0 0 2 6 10 7 5 2 1 0 !Region 3: Section 7->9 0 0 1 2 4 7 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 13 18 15 7 2 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 1 3 11 23 26 18 8 2 0 0 1 2 3 4 3 2 0 0 0 0 0 0 0 0 0 0 0 1 7 20 32 31 19 7 2 0 0 1 3 5 5 3 2 0 0 0 0 0 0 0 0 0 0 1 4 13 26 36 30 17 6 1 0 1 3 5 7 5 3 1 0 0 0 0 0 0 0 0 0 0 1 6 15 26 32 24 12 4 1 1 2 4 5 6 4 2 1 0 0 0 0 0 0 0 0 0 0 1 6 12 22 24 16 7 3 1 1 2 3 5 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 3 8 15 13 8 4 2 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.02 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 4 Sum = 7151.56; Maximum = 99.4763; FM = 0.438 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 4 8 7 6 3 3 2 1 1 0 0 0 1 1 0 0 1 0 1 3 2 2 2 2 2 2 0 6 13 11 10 9 6 5 3 1 0 1 1 0 0 0 0 1 0 1 3 3 1 2 1 2 2 1 5 11 11 9 7 5 4 3 1 0 1 1 0 0 1 0 1 0 1 3 3 2 2 1 1 2 1 5 10 10 9 6 4 3 3 2 0 1 1 0 0 0 0 1 1 2 4 4 2 1 1 0 2 1 6 12 10 8 5 3 2 3 1 0 1 1 1 0 0 0 0 0 2 3 3 2 1 1 1 1 0 6 11 10 8 6 5 3 1 1 0 0 1 1 0 0 0 0 0 2 4 3 3 2 1 1 1 0 7 12 10 8 7 5 3 2 1 0 0 1 2 1 0 0 0 0 2 4 3 3 2 1 1 1 1 8 16 10 8 7 4 3 3 1 0 0 0 1 0 0 0 0 0 1 3 1 1 0 0 0 1 0 3 9 5 3 3 2 1 2 1 !Region 4: Section 4->6 9 24 25 39 39 23 21 7 2 9 25 31 65 78 45 49 14 3 4 9 13 31 49 41 55 18 5 15 33 48 58 57 45 34 17 4 14 35 63 91100 85 72 33 7 5 13 27 43 58 72 79 37 9 10 28 40 43 39 31 25 15 4 9 29 50 63 66 57 52 28 6 3 10 20 29 35 44 55 30 7 9 24 34 37 30 23 17 12 3 8 23 41 52 48 41 33 22 5 2 8 14 22 25 28 33 24 6 10 27 31 34 27 19 15 9 2 8 25 38 48 42 33 27 16 4 3 9 14 21 22 22 23 15 4 10 25 33 32 27 20 14 7 1 8 24 39 44 39 32 24 13 3 3 8 16 20 18 21 19 11 3 12 25 31 32 28 18 13 8 1 9 23 37 43 38 28 23 14 3 3 8 15 18 18 17 17 13 4 12 30 30 31 27 20 13 7 1 8 25 36 42 37 30 22 12 3 2 8 14 18 17 17 16 11 3 6 15 14 14 13 13 6 3 1 4 11 16 19 17 20 10 4 1 1 3 6 8 8 12 9 4 1 !Region 4: Section 7->9 1 2 4 6 17 26 43 17 4 1 1 2 1 4 7 13 6 1 0 1 0 -1 0 0 0 0 0 2 3 6 8 19 46 65 34 8 1 1 1 2 4 13 21 12 3 1 0 0 0 0 0 0 0 0 1 2 3 5 11 27 46 27 6 0 0 0 1 2 9 16 10 3 0 -1 -1 0 0 0 0 0 1 1 1 1 3 7 15 29 22 5 0 1 0 0 2 5 11 8 2 0 0 -1 -1 0 0 1 -1 0 1 3 2 4 7 10 17 12 3 1 1 1 1 3 3 6 4 1 0 1 0 0 2 0 0 0 0 1 2 4 5 5 9 12 8 2 0 1 2 2 2 2 4 3 1 0 0 1 1 0 0 0 0 0 1 2 3 4 4 7 8 8 3 0 1 1 2 1 2 2 1 0 0 0 0 1 0 0 0 -1 -1 1 2 2 3 4 6 8 7 2 0 0 0 1 1 1 1 2 1 0 0 -1 0 0 -1 -1 0 0 1 1 1 1 2 5 5 2 0 0 0 0 0 1 1 1 0 0 0 0 -1 0 0 0 -1 0 0 I/Sigma = 22.66 Thresh = 0.020 Blend = F #Contributing = 1 InitialProfileWt = 0.875 Region 5 Sum = 635.791; Maximum = 6.66962; FM = 0.391 !Region 5: Section 1->3 -2 -1 -3 0 0 0 4 3 1 -2 -1 -2 0 0 2 3 2 1 9 37 14 23 11 2 8 4 2 -3 4 -1 2 -3 -3 6 10 0 -2 2 -1 2 -2 -2 4 7 0 30 53 37 37 18 9 5 5 4 1 5 10 5 -7 -5 -2 -7 -1 1 3 6 3 -5 -3 -1 -5 -1 41 57 49 25 12 7 0 2 4 0 -1 4 10 -1 4 1 -4 -3 1 -1 3 7 -1 3 1 -2 -2 35 62 48 31 13 13 1 6 2 -1 0 -1 5 1 9 0 -7 -4 -1 1 -1 3 1 6 0 -5 -3 24 45 52 38 20 14 10 5 2 -1 -1 -7 -4 4 2 2 8 -2 -1 -1 -4 -3 3 1 1 5 -1 17 29 55 33 23 21 10 11 5 4 4 -1 -5 -1 1 1 5 3 2 2 -1 -3 0 1 1 3 2 26 31 33 25 28 4 1 3 5 3 4 -4 -2 -3 -4 8 9 4 2 2 -2 -1 -2 -2 5 6 2 29 35 36 33 27 11 1 4 6 -1 1 0 0 1 0 1 2 9 -1 0 0 0 1 0 1 1 6 16 18 10 23 9 7 1 -1 0 !Region 5: Section 4->6 15 60 23 37 18 4 13 6 3 6 25 12 17 17 6 13 8 2 1 10 11 10 35 17 29 21 2 49 86 60 60 29 14 9 8 7 19 34 26 28 25 20 18 11 5 3 7 11 17 48 52 51 30 10 66 92 80 40 19 11 0 3 6 25 34 33 19 23 19 11 12 5 2 -2 13 15 54 51 39 38 10 56100 77 49 21 21 2 9 3 23 37 32 27 23 28 15 16 6 6 -1 11 31 51 69 50 44 16 39 73 83 62 32 22 16 8 4 13 26 32 27 23 27 23 13 4 -5 -4 4 15 37 65 58 35 11 28 47 88 53 37 33 15 18 9 9 16 39 27 25 31 20 18 6 -5 -4 20 25 37 63 51 40 11 41 51 53 41 45 7 1 5 8 16 19 27 20 29 16 14 16 6 2 2 23 16 42 47 47 49 10 46 56 58 54 44 18 1 7 10 16 20 25 24 28 22 16 19 7 -2 -2 11 13 42 53 54 58 10 26 28 16 37 15 11 2 -1 -1 10 11 6 18 14 8 11 7 0 2 1 1 13 30 14 36 27 3 !Region 5: Section 7->9 1 9 9 8 30 14 25 18 2 0 1 3 1 6 0 4 8 1 0 -1 0 -1 2 -4 1 11 2 3 6 9 15 40 44 43 25 9 0 0 0 3 7 7 5 7 1 0 -1 -3 1 2 1 -4 6 0 1 -1 11 13 45 43 33 32 8 0 0 -2 -3 7 8 5 5 1 0 1 -8-10 1 4 0 1 -1 0 -1 9 26 43 58 42 37 14 0 1 0 4 8 6 2 7 4 0 2 -3 -1 4 -6 -8 4 4 -5 -4 3 12 31 54 49 30 9 -1 0 4 11 7 4 4 3 0 0 1 7 19 5-10 -8 -2 -3 -4 -3 17 21 31 53 43 34 9 1 4 6 3 6 4 9 9 3 3 9 8 0 3 -8 5 8 2 0 2 20 13 35 40 39 41 8 2 4 5 5 10 3 8 16 4 3 8 5 6 10 -7 4 21 5 -2 -2 9 11 35 44 45 49 8 -1 0 0 1 10 3 5 10 1 -1 1 -4 -2 9 -8 -4 5 0 1 1 1 11 25 12 31 23 2 0 0 -1 1 5 1 4 2 0 -1 -1 -2 -2 3 -3 0 -2 -1 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.0074; Maximum = 0.0112303; FM = 0.434 !Region 6: Section 1->3 0 0 -1 1 0 0 2 1 0 3 7 4 3 1 2 2 1 0 20 41 26 24 14 6 7 3 1 0 3 1 3 0 0 3 4 0 6 12 7 6 2 1 3 4 1 38 63 47 37 21 11 8 5 3 0 3 5 4 -2 -1 1 -2 0 4 11 7 6 1 1 2 0 0 34 52 40 25 13 8 5 5 2 1 0 1 7 0 2 2 -1 -1 4 5 3 7 2 2 2 0 0 26 44 31 23 11 8 4 5 2 1 1 -1 3 1 3 0 -2 -1 3 5 1 3 2 2 1 -1 0 19 33 30 23 14 10 6 4 2 0 -1 -3 -1 3 2 1 4 -1 2 3 0 1 4 3 0 3 0 15 25 31 19 15 13 5 6 3 1 1 0 -1 0 1 1 3 1 2 3 1 0 2 1 1 3 2 15 21 19 14 15 5 1 3 4 2 1 -2 -1 -1 -2 3 4 2 2 1 0 0 0 0 3 3 1 14 20 19 18 15 7 1 2 4 0 0 0 0 1 0 0 0 4 0 0 0 0 1 0 1 1 3 7 9 7 10 6 4 1 0 0 !Region 6: Section 4->6 30 63 47 45 28 15 12 5 2 15 35 37 33 28 20 15 7 2 2 10 16 16 27 19 20 11 2 56100 83 70 45 27 18 11 5 28 58 59 58 55 42 30 19 5 6 15 23 32 53 48 42 25 6 51 82 69 47 28 17 11 9 4 25 45 45 42 41 33 24 17 5 4 10 17 27 51 48 38 28 7 41 70 56 41 23 18 9 10 3 20 37 39 37 36 34 24 16 6 5 8 18 30 48 56 42 28 11 30 52 53 42 26 18 12 7 3 15 28 35 35 31 29 24 16 6 1 6 15 26 38 49 44 30 10 24 40 53 34 26 23 11 10 5 13 24 36 29 29 32 22 18 7 3 8 23 26 35 50 41 32 13 25 36 36 28 29 11 4 5 6 14 24 31 29 33 27 22 18 9 5 11 26 27 40 45 46 38 15 25 37 35 33 28 15 2 4 6 14 23 28 30 34 28 21 17 8 2 9 20 27 46 48 47 41 13 13 16 14 19 11 7 2 1 0 7 11 14 17 16 12 13 9 3 3 4 12 17 25 17 30 21 6 !Region 6: Section 7->9 0 5 5 6 16 10 14 8 1 0 2 1 0 3 2 4 3 1 0 0 0 -1 1 0 1 4 1 1 5 7 11 26 27 25 15 4 -1 1 1 1 2 4 5 4 1 -1 0 -1 0 -1 1 0 3 0 0 0 6 11 29 28 23 17 4 -1 -1 1 -1 3 3 3 2 0 -1 0 -2 -4 0 1 0 0 -1 0 2 7 15 28 35 27 20 8 -1 1 0 0 6 3 2 5 2 -1 0 -1 -2 3 -3 -3 2 2 -1 1 5 11 22 31 30 21 8 0 1 1 3 4 2 3 4 2 0 1 2 7 2 -4 -3 0 0 1 3 12 15 21 32 28 23 9 1 2 2 3 4 4 5 6 3 1 3 3 1 2 -2 2 4 2 2 4 14 14 25 29 30 27 10 2 2 4 4 8 5 6 9 3 2 3 3 4 6 -1 3 9 2 0 2 10 13 27 32 33 32 9 0 1 1 2 5 5 6 8 3 0 2 -1 1 4 -2 -1 3 0 1 2 5 9 16 11 22 16 4 0 1 1 1 2 2 5 4 1 0 1 0 0 0 -1 1 0 0 I/Sigma = 16.65 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 7 Sum = 2219.36; Maximum = 31.025; FM = 0.374 !Region 7: Section 1->3 1 1 0 1 1 1 0 0 0 6 8 6 5 2 2 1 1 0 25 37 30 24 15 7 6 2 1 1 3 2 3 1 1 1 1 0 8 15 10 8 3 2 3 3 1 37 61 48 34 20 11 10 5 2 0 1 1 3 1 1 3 2 1 4 11 5 7 4 3 4 4 1 23 41 29 22 12 8 8 7 1 1 1 -1 5 1 0 2 0 0 4 7 1 7 3 0 2 0 0 16 26 16 15 8 4 5 5 2 2 2 -1 1 1 -1 0 1 0 5 6 2 3 2 -1 1 2 1 14 21 14 11 9 7 4 3 1 1 -1 0 2 3 2 0 1 0 4 4 2 3 4 3 0 2 0 13 20 13 8 8 8 2 2 1 -1 -1 0 1 1 0 0 1 1 1 2 2 2 4 2 0 3 1 7 14 8 5 7 4 0 2 3 1 -2 0 -1 -1 -1 1 0 0 1 0 2 1 1 1 2 2 0 4 10 7 6 7 4 -1 0 2 0 -2 -1 0 1 0 -1 0 0 0 -1 0 -1 2 1 0 0 1 1 2 3 1 4 2 0 1 1 !Region 7: Section 4->6 34 55 54 46 31 19 10 3 1 16 32 42 38 29 24 12 5 1 2 7 15 16 18 16 12 4 1 55100 86 62 44 27 19 11 2 31 66 65 53 49 36 26 17 3 6 17 23 28 40 32 26 17 2 36 67 53 43 26 15 14 12 2 22 47 43 42 39 30 24 16 4 5 15 15 28 41 39 31 18 4 25 42 34 25 17 11 11 9 3 16 31 32 27 31 28 21 11 4 3 11 18 22 38 41 30 13 6 22 34 27 22 17 12 7 4 1 16 24 29 29 27 22 18 13 5 5 10 19 28 33 32 30 24 9 21 32 25 16 16 14 5 4 2 15 25 27 23 25 27 18 14 7 8 15 21 24 29 37 30 24 13 13 23 18 13 13 9 3 3 4 11 21 26 26 27 26 22 15 10 6 15 24 31 34 39 41 26 17 10 21 16 14 14 10 0 0 3 11 21 24 27 31 27 20 13 8 5 14 23 33 46 41 39 27 14 4 6 9 4 6 4 1 1 1 5 8 14 12 14 11 13 8 4 3 5 17 18 20 17 25 15 8 !Region 7: Section 7->9 0 2 2 3 7 6 6 2 1 -1 3 -1 0 1 3 3 0 0 -1 1 -1 0 0 2 1 0 0 0 3 4 8 15 13 12 7 1 -2 2 1 -1 -2 2 4 1 1 -2 1 1 0 -2 0 3 2 0 -1 1 3 9 17 17 15 7 1 -3 -3 2 -1 0 0 1 -1 -1 -2 -1 3 -1 -1 -1 0 -1 -1 0 3 5 7 18 18 15 7 4 -1 1 -1 -3 5 0 1 3 1 -2 -1 -1 -3 3 0 0 2 0 2 3 6 10 15 15 16 14 7 1 1 -1 -2 2 0 1 4 3 0 0 -1 -2 1 0 -1 2 1 4 7 8 12 14 18 16 14 9 1 1 0 3 3 3 2 4 3 0 0 -1 1 1 1 1 2 2 3 6 11 14 18 21 22 15 10 1 1 3 4 7 6 4 4 2 1 0 1 3 3 3 2 1 1 1 5 11 15 22 23 23 18 10 1 2 3 3 1 6 6 6 3 0 2 2 3 0 2 1 2 1 1 3 8 8 9 10 16 11 6 0 2 2 0 -1 2 6 5 2 0 1 1 0 -2 0 2 1 0 I/Sigma = 33.06 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 8 Sum = 7068.88; Maximum = 115.949; FM = 0.299 !Region 8: Section 1->3 0 1 0 1 1 0 0 0 0 8 14 9 6 1 0 0 0 0 27 46 29 23 8 2 1 1 1 1 2 1 2 1 1 0 0 0 19 34 18 9 4 1 0 0 0 51 97 62 31 15 5 1 1 1 1 2 1 0 1 1 1 0 0 18 32 14 6 3 2 1 1 0 46 85 46 23 9 4 3 2 1 0 1 0 0 1 1 1 0 1 16 23 9 4 3 2 2 1 1 40 61 29 15 7 4 3 2 0 1 2 1 0 1 1 1 0 0 12 15 6 4 2 1 1 0 1 28 40 18 11 5 3 1 1 0 0 1 1 1 1 0 0 1 0 6 9 4 3 2 1 0 1 0 17 24 14 7 4 2 1 1 0 0 0 0 0 0 1 1 0 0 4 5 3 2 1 1 1 2 1 10 16 11 6 3 3 2 2 1 0 0 0 -1 0 0 0 0 0 2 3 1 1 1 0 0 0 1 6 9 8 6 3 2 1 1 1 0 0 0 0 0 -1 0 0 0 1 0 1 1 0 0 0 0 0 3 2 3 3 1 1 0 1 0 !Region 8: Section 4->6 28 52 39 41 22 10 6 2 1 9 23 32 39 30 19 12 5 2 1 5 13 17 14 11 9 5 2 44100 83 60 38 21 9 4 2 13 44 60 71 56 39 21 10 3 2 11 22 34 33 27 17 10 3 38 83 63 43 25 15 8 5 2 12 38 48 52 40 32 18 10 3 2 10 18 26 26 26 17 10 3 32 60 39 30 19 12 8 5 1 9 29 31 37 31 25 18 10 3 2 9 13 20 20 21 19 13 4 23 40 27 22 16 11 6 3 1 7 21 25 29 29 23 18 11 3 1 7 12 17 20 21 21 16 5 15 27 22 17 12 9 5 3 1 6 17 22 27 25 20 15 10 3 2 7 11 15 18 18 20 17 6 10 22 20 16 11 9 5 4 1 6 17 21 27 23 19 14 10 3 2 7 11 17 18 18 18 17 6 7 15 15 14 10 8 4 3 1 6 16 20 25 22 20 14 9 2 3 8 11 17 18 19 18 16 5 4 5 6 7 5 3 2 2 0 2 5 8 13 10 10 5 3 1 1 2 4 10 8 11 7 5 2 !Region 8: Section 7->9 0 0 0 1 2 2 3 3 1 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 1 2 3 5 6 5 4 2 0 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 3 5 9 7 6 3 0 1 2 2 2 3 2 2 2 0 1 1 1 1 0 1 0 0 0 1 2 3 5 7 9 9 4 0 1 1 2 1 1 2 3 2 0 0 1 1 1 0 1 1 1 0 1 2 2 5 8 12 13 6 0 1 0 0 0 2 3 6 3 0 1 0 0 0 0 0 1 1 1 1 1 2 4 7 12 16 7 0 0 1 0 1 2 3 7 4 0 0 1 0 1 1 0 2 1 1 2 2 3 5 8 11 16 7 0 1 2 1 1 2 4 7 4 0 1 1 0 0 1 1 2 1 1 2 2 3 6 9 12 15 7 1 1 2 1 1 3 5 6 4 0 1 1 0 0 1 1 1 0 0 0 1 3 3 5 5 6 4 0 1 0 1 1 2 2 3 2 0 0 0 0 0 1 1 0 0 I/Sigma = 149.37 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.079 Region 9 Sum = 110232; Maximum = 1560.36; FM = 0.531 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 3 4 4 2 1 1 0 0 0 9 14 15 11 7 3 1 0 0 1 2 1 1 0 0 0 0 0 7 14 12 8 4 2 1 1 0 17 41 43 35 21 8 3 1 0 2 3 2 1 0 0 0 0 0 10 21 20 15 8 3 1 1 0 22 54 63 56 35 13 3 1 0 2 4 3 2 1 0 0 0 0 12 26 29 24 13 5 1 1 0 25 65 85 80 52 20 4 1 0 2 5 4 2 1 0 0 0 0 13 29 33 29 18 7 1 0 0 26 66 91 89 64 25 5 1 0 2 5 4 2 1 0 0 0 0 11 26 31 28 20 8 1 0 0 21 58 82 84 64 25 5 1 0 2 3 3 2 1 0 0 0 0 8 20 24 21 15 6 1 0 0 14 43 60 60 45 17 3 1 0 1 2 2 2 1 0 0 0 0 5 13 16 14 8 3 1 0 0 8 26 37 35 22 7 2 1 0 0 1 1 1 0 0 0 0 0 1 4 6 4 2 1 0 0 0 2 9 12 9 6 2 1 0 0 !Region 9: Section 4->6 9 17 20 20 13 6 2 1 0 3 7 11 13 11 6 4 2 0 0 1 2 4 5 5 5 3 1 18 47 56 51 36 17 5 2 0 7 20 28 31 28 19 10 4 1 1 3 6 10 15 16 15 9 3 22 58 75 73 54 25 8 2 1 9 26 37 43 40 27 15 7 2 1 5 9 15 20 23 21 14 4 23 67 95 96 70 32 9 3 0 9 28 45 53 47 32 18 8 2 1 5 10 18 22 25 23 15 5 23 63 96100 76 34 10 3 0 7 24 43 50 44 28 17 8 2 1 4 9 15 19 21 21 13 4 18 52 81 89 68 28 8 2 0 5 17 32 40 33 20 13 6 1 1 2 6 10 13 15 15 10 3 11 36 56 60 45 19 5 2 0 3 11 19 23 19 12 7 4 1 0 1 3 5 7 9 9 6 2 6 21 33 32 22 8 3 1 0 2 6 10 11 9 6 4 2 1 0 1 1 2 3 4 4 3 1 2 7 10 8 6 2 1 0 0 1 2 3 3 2 1 1 1 0 0 0 0 1 1 1 1 1 0 !Region 9: Section 7->9 0 0 1 1 3 4 3 2 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 7 10 11 8 3 0 0 0 1 2 3 4 3 1 0 0 0 0 0 1 1 0 0 0 1 2 5 9 13 14 11 4 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 2 5 8 12 14 11 4 0 0 0 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 10 12 9 3 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 8 7 2 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 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 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (204 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 204 0 204 4.4150 0.8640 20.112 126.311 Orientation ('UB') matrix: 0.1439517 0.0358151 -0.0039789 0.0304331 -0.0025578 0.0772942 0.0659333 -0.0770141 -0.0044175 A B C Alpha Beta Gamma Vol 6.2467 11.7684 12.9919 90.000 96.839 90.000 948.29 0.0003 0.0013 0.0011 0.000 0.003 0.000 0.18 Corrected for goodness of fit: 0.0015 0.0054 0.0047 0.000 0.013 0.000 0.77 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.188 96.110 24.285 Goniometer zeros (deg): 0.0000* 0.0845 0.0000* 0.0141 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8055 -0.4537 0.0790 -0.5100 -0.1309 0.7448 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.51028e+04 1.05760e+04 4.30 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 178 Average input ESD (pix, pix, deg): 0.19280 0.15747 0.05815 Goodness of fit: 4.69336 4.33680 3.55187 Average missing volume: 0.046 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:36 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 0.091 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 97.22% 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 2 0.28 -0.54 -0.14 0.37 0.58 0.15 6787.5 34 0 0.24 24 0.78 0.78 2.27 1.000 3_0004 8 0.84 -0.71 -0.06 1.48 1.28 0.35 73087 86 13 0.36 27 0.78 0.78 2.27 1.000 4_0005 9 0.07 -0.28 -0.05 0.24 0.29 0.19 31706 64 0 0.60 24 0.78 0.78 2.27 1.000 5_0006 13 0.17 -0.47 -0.02 0.37 0.58 0.14 22103 56 0 0.55 28 0.78 0.78 2.27 1.000 6_0007 10 0.01 -0.34 -0.32 0.33 0.38 0.85 28170 53 10 0.64 25 0.78 0.78 2.27 1.000 7_0008 9 0.10 -0.22 -0.30 0.26 0.26 0.78 4801.6 22 11 0.56 26 0.78 0.78 2.27 1.000 8_0009 12 0.04 -0.34 0.06 0.24 0.51 0.23 62558 97 8 0.69 27 0.78 0.78 2.27 1.000 9_0010 10 0.24 -0.18 -0.01 0.47 0.33 0.32 14321 41 10 0.63 26 0.78 0.78 2.27 1.000 10_0011 9 0.43 -0.24 -0.15 0.58 0.31 0.29 62009 76 0 0.65 26 0.78 0.78 2.27 1.000 11_0012 9 -0.04 -0.33 -0.00 0.16 0.57 0.15 92641 121 0 0.70 28 0.78 0.78 2.27 1.000 12_0013 16 0.25 -0.36 -0.18 0.72 0.72 0.61 69953 76 6 0.62 26 0.78 0.78 2.27 1.000 13_0014 8 0.10 -0.29 0.07 0.19 0.37 0.21 19067 49 0 0.67 27 0.78 0.78 2.27 1.000 14_0015 12 0.38 -0.35 -0.19 0.91 0.49 0.57 28803 48 8 0.61 26 0.78 0.78 2.27 1.000 15_0016 10 0.04 -0.23 -0.01 0.15 0.26 0.34 12555 25 20 0.58 27 0.78 0.78 2.27 1.000 16_0017 9 0.03 -0.43 0.02 0.34 0.56 0.14 23670 56 0 0.73 27 0.78 0.78 2.27 1.000 17_0018 10 -0.04 -0.23 -0.01 0.18 0.29 0.14 37472 73 0 0.66 28 0.78 0.78 2.27 1.000 18_0019 7 0.16 -0.13 -0.08 0.29 0.18 0.23 55912 94 0 0.65 25 0.78 0.78 2.27 1.000 19_0020 12 -0.03 -0.30 -0.03 0.19 0.43 0.21 59820 80 0 0.71 27 0.78 0.78 2.27 1.000 Background pixels updated = 97.58% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.14 -0.25 -0.01 0.47 0.35 0.15 5988.7 28 0 0.61 26 0.78 0.78 2.27 1.000 21_0022 10 0.04 -0.30 0.00 0.23 0.44 0.18 43654 70 0 0.66 27 0.78 0.78 2.27 1.000 22_0023 6 -0.03 -0.16 0.13 0.17 0.19 0.32 32443 62 0 0.60 24 0.78 0.78 2.27 1.000 23_0024 8 -0.09 -0.12 0.01 0.24 0.31 0.18 93147 108 0 0.78 27 0.78 0.78 2.27 1.000 24_0025 10 0.04 -0.18 0.03 0.12 0.20 0.14 30857 60 0 0.70 29 0.78 0.78 2.27 1.000 25_0026 10 -0.26 -0.07 0.02 1.04 0.31 0.19 27799 55 10 0.68 27 0.78 0.78 2.27 1.000 26_0027 6 -0.41 -0.13 0.05 0.84 0.28 0.18 58441 65 17 0.60 24 0.78 0.78 2.27 1.000 I/Sigma = 52.22 Thresh = 0.020 Blend = F #Contributing = 39 InitialProfileWt = 0.069 Region 1 Sum = 15547.3; Maximum = 169.785; FM = 0.408 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 6 11 7 4 2 1 1 1 0 39 58 39 23 11 6 3 2 0 1 1 1 1 1 1 1 1 0 7 15 10 6 4 2 2 1 1 32 65 52 35 19 9 6 3 1 0 1 1 1 1 1 1 1 0 7 16 11 7 4 3 2 2 0 38 75 59 38 21 10 6 4 1 0 0 0 1 1 1 0 1 0 5 9 7 4 3 2 2 1 0 21 41 33 21 12 7 5 3 1 0 0 0 0 0 0 1 1 0 3 8 6 3 2 2 2 2 0 16 35 30 19 11 6 5 4 0 0 0 0 0 0 0 1 1 0 2 4 4 2 2 1 2 1 0 9 18 18 12 7 5 4 2 1 0 0 0 0 0 0 0 1 0 1 2 2 1 1 1 1 1 0 4 9 9 7 5 4 3 2 1 0 1 1 0 0 0 0 0 0 1 2 2 1 1 1 1 0 0 3 7 8 7 5 4 2 2 1 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 1: Section 4->6 52 84 67 50 27 21 15 10 3 22 46 49 53 50 50 41 29 10 3 11 17 29 46 53 46 31 10 39 92 89 77 58 39 25 14 4 18 56 75 92100 93 71 43 13 4 18 33 56 80 94 83 52 14 47100 92 76 57 41 26 18 7 19 53 66 80 91 92 71 52 20 4 14 25 44 68 87 81 60 20 26 54 53 44 35 25 17 10 3 11 30 40 49 59 56 45 31 11 2 9 16 29 47 58 56 41 14 20 46 47 38 29 20 14 9 3 9 26 35 42 49 45 36 26 10 2 8 14 26 40 47 45 35 13 12 27 30 26 22 17 12 8 3 6 18 25 31 38 37 31 25 10 2 7 12 20 30 38 39 35 15 5 13 16 15 13 11 8 6 2 3 10 15 20 25 25 22 17 6 1 5 8 14 23 28 30 26 10 4 12 15 16 14 11 7 5 2 3 11 16 22 26 23 20 16 7 2 5 10 15 23 27 30 28 13 1 2 3 4 3 4 2 1 0 1 2 4 7 7 9 8 5 2 0 2 4 6 8 9 10 9 3 !Region 1: Section 7->9 1 2 4 7 16 21 19 13 3 0 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 1 3 6 12 22 33 35 23 6 0 0 1 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 1 3 5 9 19 31 35 26 8 0 1 1 1 3 5 5 4 1 0 1 0 0 1 1 0 1 0 1 2 4 7 14 23 26 21 8 0 1 1 1 2 3 3 3 2 0 0 0 0 0 0 0 0 0 0 2 3 7 12 19 22 18 7 0 1 1 1 2 3 4 3 2 0 0 0 0 1 1 1 0 0 1 2 3 5 9 17 21 21 9 0 1 1 1 2 3 5 5 2 0 0 0 0 1 1 1 1 0 1 1 2 4 8 12 15 15 7 0 0 1 1 1 2 3 3 2 0 0 0 0 0 0 1 1 0 1 1 3 4 8 13 19 20 11 0 0 1 1 1 2 4 5 3 0 0 0 0 0 0 1 1 0 0 1 2 2 3 3 5 5 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 342.88 Thresh = 0.020 Blend = F #Contributing = 66 InitialProfileWt = 0.035 Region 2 Sum = 423235; Maximum = 5621.98; FM = 0.915 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 3 3 1 0 0 0 0 1 4 11 12 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 3 1 0 0 0 2 8 15 20 14 6 2 1 0 0 0 0 0 0 0 0 0 0 1 4 7 8 6 2 1 0 0 3 11 21 31 27 15 5 1 0 0 0 1 1 1 0 0 0 0 2 7 11 13 9 5 1 0 0 5 18 32 45 41 26 9 2 0 0 1 1 1 1 0 0 0 0 2 6 12 17 12 7 2 0 0 4 15 32 53 50 34 14 3 0 0 1 1 1 1 0 0 0 0 1 5 9 13 11 8 3 0 0 3 13 26 46 47 39 18 3 0 0 1 1 1 1 0 0 0 0 1 4 7 10 7 4 1 0 0 2 10 20 36 34 26 12 2 0 0 0 1 1 0 0 0 0 0 1 3 5 7 5 2 1 0 0 1 6 12 23 23 16 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 1 3 11 10 5 2 0 0 !Region 2: Section 4->6 1 4 16 22 16 9 3 1 0 0 2 11 18 17 12 6 1 0 0 1 3 7 9 8 4 1 0 2 8 19 31 28 17 6 2 0 1 5 14 28 33 27 13 4 1 0 1 5 13 21 23 13 4 1 3 12 30 53 57 40 16 4 1 1 8 25 50 63 54 27 9 1 0 3 12 26 39 40 25 9 1 4 19 43 73 83 63 25 6 1 2 10 33 71100 87 42 13 2 0 3 15 43 71 69 40 15 2 3 16 40 76 90 77 41 11 1 1 9 32 72 98100 72 26 2 0 3 17 46 70 79 65 28 3 2 14 38 79 91 82 45 11 1 1 8 33 76 97 92 59 22 3 0 3 17 45 67 68 47 23 4 2 9 27 62 69 60 30 7 1 1 5 23 60 76 69 39 11 1 0 2 12 36 54 52 32 12 2 1 4 14 36 49 39 15 3 0 0 2 10 34 55 46 22 6 1 0 1 5 19 37 35 19 7 1 0 1 4 14 16 9 4 1 0 0 1 3 8 10 7 6 2 0 0 0 1 2 3 4 6 3 1 !Region 2: Section 7->9 0 0 1 1 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 1 3 6 8 6 2 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 13 16 11 4 1 0 0 0 1 2 4 3 1 0 0 0 0 0 0 1 0 0 0 0 1 4 13 25 28 18 7 1 0 0 0 1 4 6 4 2 0 0 0 0 0 0 1 1 0 0 0 1 5 16 28 31 26 12 2 0 0 1 2 5 6 5 3 1 0 0 0 0 0 1 1 0 0 0 1 5 16 28 29 21 11 2 0 0 0 2 5 6 5 2 1 0 0 0 0 0 1 1 0 0 0 1 4 12 21 23 16 7 1 0 0 0 1 4 5 4 2 1 0 0 0 0 0 1 0 0 0 0 0 1 6 13 14 9 4 1 0 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 123.40 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.090 Region 3 Sum = 81864.5; Maximum = 1409.64; FM = 0.862 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 5 6 5 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 1 0 0 0 2 5 9 14 14 7 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 1 0 0 0 2 5 10 15 16 8 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 0 0 1 3 6 11 15 14 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 1 4 6 10 12 10 5 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 4 7 9 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 6 6 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 4 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 !Region 3: Section 4->6 0 2 6 14 21 15 6 1 0 0 1 6 16 28 21 8 2 0 0 1 3 7 15 14 7 3 0 0 3 11 29 49 44 21 5 1 0 3 12 37 69 63 30 9 1 0 2 6 19 38 39 22 9 1 1 3 12 34 59 57 28 7 1 0 3 15 49 89 85 40 12 2 0 2 8 29 55 54 29 11 2 1 4 15 38 63 61 30 8 1 1 4 21 60100 98 49 15 2 0 3 13 42 69 67 37 14 2 1 6 18 38 55 52 25 7 1 1 6 27 62 94 92 46 14 2 0 4 19 49 73 68 37 14 2 1 7 18 33 42 35 17 5 1 1 8 29 57 76 68 33 10 2 1 5 23 50 63 56 29 11 2 1 7 16 25 28 21 9 3 0 1 8 26 47 55 44 20 7 1 1 6 23 44 48 40 20 9 2 1 5 12 17 16 11 4 2 0 1 6 19 32 33 25 11 4 1 0 4 18 33 31 24 13 6 2 0 1 4 6 5 3 1 1 0 0 1 7 11 10 8 3 1 0 0 1 6 12 9 8 3 2 0 !Region 3: Section 7->9 0 0 1 1 3 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 12 9 4 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 16 17 12 6 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 14 25 24 15 7 1 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 7 21 30 25 15 7 1 0 0 1 4 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 2 10 25 29 23 13 6 1 0 0 2 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 3 12 24 23 17 10 5 1 0 1 3 5 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 11 19 16 11 7 4 1 0 0 3 4 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 8 5 4 2 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 51.85 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 4 Sum = 12704.6; Maximum = 240.396; FM = 0.431 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 2 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 5 5 4 5 3 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 5 4 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 3 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 1 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 1 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 3 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 !Region 4: Section 4->6 1 7 19 28 18 19 7 3 1 0 6 31 59 37 42 16 7 2 0 2 15 30 25 31 24 15 3 3 20 35 49 46 39 21 8 2 3 25 60100 94 83 49 20 4 1 10 28 51 53 60 57 36 7 3 14 24 35 38 34 22 10 2 3 18 39 69 78 72 50 23 4 1 8 18 35 43 49 52 36 7 2 11 17 24 26 25 19 9 2 2 15 28 45 53 53 42 22 5 1 6 13 23 29 36 41 31 6 2 8 12 16 17 17 14 9 2 2 11 20 30 35 37 31 21 5 1 5 9 15 19 24 29 25 6 1 6 9 13 13 13 10 7 2 1 8 15 24 26 27 22 16 4 0 4 7 12 14 17 19 19 4 1 6 9 11 12 10 7 5 1 1 7 14 19 21 20 15 11 3 1 3 6 9 11 12 13 12 3 1 5 9 10 10 9 6 4 1 1 7 13 18 19 17 12 8 2 1 3 6 9 9 10 9 8 2 0 3 4 4 6 4 3 1 0 0 4 6 7 9 7 5 3 1 0 1 3 3 5 4 3 3 1 !Region 4: Section 7->9 0 1 2 4 9 18 26 19 3 0 0 1 1 3 6 10 7 1 0 0 0 0 0 0 0 0 0 0 2 4 7 13 33 58 45 7 0 1 2 3 4 12 23 18 3 0 1 1 1 0 0 1 1 0 0 2 4 6 9 26 49 42 7 0 1 2 2 3 10 20 17 3 0 0 1 0 0 0 0 0 0 0 2 2 4 7 19 38 36 7 0 1 1 2 2 8 16 15 3 0 0 0 0 0 0 0 0 0 0 2 2 3 5 11 27 29 6 0 1 1 1 2 4 11 13 2 0 0 0 0 0 0 0 0 0 0 1 1 2 3 7 16 21 4 0 0 0 0 1 3 7 10 2 0 0 0 0 0 0 0 1 0 0 1 1 1 2 4 10 15 3 0 1 1 0 1 2 4 7 2 0 0 0 0 0 0 0 1 0 0 1 1 1 2 3 6 7 1 0 1 1 1 1 2 3 3 1 0 0 0 1 0 1 0 0 0 0 0 0 1 2 2 2 3 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 27.49 Thresh = 0.020 Blend = F #Contributing = 1 InitialProfileWt = 0.875 Region 5 Sum = 772.223; Maximum = 11.9993; FM = 0.357 !Region 5: Section 1->3 0 -1 1 2 1 1 -1 -1 0 0 -2 1 3 1 2 -2 -1 0 2 26 10 17 11 6 10 2 0 0 -1 0 3 6 3 0 0 0 0 -1 1 4 7 4 0 0 0 2 34 29 25 29 22 13 4 1 0 0 0 0 1 1 -1 0 0 0 0 0 0 1 1 -1 0 0 2 21 21 18 18 20 10 6 0 0 -2 1 0 0 -1 0 -1 0 0 -3 1 0 0 -1 1 -1 0 1 15 15 14 12 12 7 4 0 0 -3 -1 1 5 2 -1 -4 0 0 -4 -1 1 6 2 -1 -5 -1 1 13 16 17 18 10 4 1 0 0 -1 -1 1 0 5 0 0 0 0 -2 -1 2 1 7 0 -1 0 1 8 12 17 16 12 4 4 1 0 0 -1 1 -1 6 0 3 0 1 0 -1 1 -1 7 0 4 1 1 9 11 14 16 15 7 5 1 0 2 5 1 -1 -3 1 1 0 0 3 6 1 -1 -4 1 1 0 1 11 10 8 15 11 8 7 2 0 0 2 1 0 -1 1 0 0 0 1 2 1 0 -2 1 0 0 1 5 3 6 5 4 4 1 0 !Region 5: Section 4->6 6 78 29 48 30 17 32 8 1 4 54 20 33 21 12 22 5 0 0 5 2 5 10 5 17 14 2 7100 83 69 76 61 37 13 2 5 69 57 48 53 42 26 9 2 1 10 8 8 9 13 17 34 12 5 61 60 52 52 57 31 16 1 3 42 41 36 36 40 21 11 1 2 6 1 5 8 8 16 27 9 4 45 42 41 36 36 20 11 1 3 31 29 28 25 25 14 8 0 0 1 1 5 6 7 17 19 5 3 40 47 49 45 27 14 7 1 2 28 32 34 31 19 10 5 1 0 1 5 1 5 6 16 20 3 2 26 36 48 47 29 12 12 4 1 18 25 33 32 20 9 8 3 0 2 6 2 4 12 17 27 7 2 25 33 41 46 37 21 10 2 1 17 22 28 32 25 15 7 1 1 3 -1 0 3 6 12 23 8 3 29 22 21 44 36 22 18 6 2 20 15 15 30 25 15 12 4 1 3 2 -2 7 10 12 21 7 2 15 5 15 14 12 12 3 0 1 11 4 11 9 9 8 2 0 1 1 1 1 3 4 9 6 1 !Region 5: Section 7->9 0 4 2 7 15 7 28 24 4 0 2 1 3 6 3 11 9 1 0 0 0 0 0 0 0 0 0 2 12 8 9 11 19 28 59 22 1 5 3 4 4 7 11 23 8 0 0 0 0 0 0 0 0 0 2 6 -2 5 10 11 26 46 15 1 2 -1 2 4 4 10 18 6 0 0 0 0 0 0 0 0 0 0 -1 0 5 8 11 28 33 9 0 -1 0 2 3 4 11 13 3 0 0 0 0 0 0 0 0 0 -1 -1 5 -1 6 9 27 35 6 0 0 2 0 2 4 10 14 2 0 0 0 0 0 0 0 0 0 0 1 9 1 4 19 29 46 13 0 0 4 0 2 7 11 18 5 0 0 0 0 0 0 0 0 0 2 4 -5 -3 2 8 20 39 14 1 2 -2 -1 1 3 8 15 5 0 0 0 0 0 0 0 0 0 1 3 1 -4 9 15 21 36 12 0 1 1 -2 3 6 8 14 5 0 0 0 0 0 0 0 0 0 1 1 1 1 5 5 15 11 1 0 0 1 0 2 2 6 4 1 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.02213; Maximum = 0.0153031; FM = 0.367 !Region 6: Section 1->3 0 0 1 1 1 1 0 0 0 1 2 3 2 2 2 0 0 0 6 29 16 17 11 8 7 1 0 0 0 1 2 4 2 0 0 0 1 4 4 4 6 5 1 0 0 7 40 33 27 25 19 11 4 1 0 1 1 1 2 1 0 1 0 1 4 3 2 3 3 1 1 0 7 31 26 21 17 15 8 4 1 0 0 0 1 1 1 0 0 0 1 1 2 2 1 2 1 0 0 4 19 17 15 11 9 6 3 0 0 -1 0 1 2 1 0 -1 0 0 0 1 1 3 3 0 -2 0 3 14 16 14 11 8 4 1 0 0 -1 0 1 0 3 0 0 0 0 0 2 2 0 4 0 0 0 2 9 12 12 10 7 3 3 1 0 0 0 0 0 2 0 2 0 0 0 1 1 0 4 1 3 0 1 7 9 10 9 9 5 4 1 0 1 3 0 0 -1 0 0 0 0 2 3 1 0 -1 1 1 0 1 6 7 6 9 7 5 4 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 -1 0 0 0 0 3 2 3 3 2 2 1 0 !Region 6: Section 4->6 11 73 42 46 33 24 23 5 1 7 53 37 43 36 27 25 7 1 1 9 12 16 21 16 20 13 2 15100 88 77 71 55 33 12 2 10 76 74 71 67 55 37 17 3 3 17 22 27 28 30 31 31 8 13 76 68 58 51 45 25 13 2 8 57 55 53 50 45 29 17 3 2 14 14 19 23 25 28 27 7 8 47 44 40 33 27 16 10 1 6 37 37 36 33 29 19 12 2 2 9 10 14 16 20 24 21 5 6 35 40 37 32 20 11 6 1 4 28 32 32 30 20 13 9 2 1 7 9 10 13 15 21 21 4 4 25 30 32 29 20 10 9 2 3 20 25 28 26 19 12 10 3 1 6 9 8 12 17 20 23 6 3 21 26 28 27 21 14 8 2 2 17 22 24 24 19 15 10 2 1 7 6 7 10 12 17 21 6 2 18 17 17 25 20 13 10 3 1 14 15 16 23 19 14 10 3 1 5 7 7 13 15 18 21 6 1 8 4 10 8 8 7 3 0 1 5 4 9 8 8 7 4 0 0 1 3 4 6 8 10 8 1 !Region 6: Section 7->9 0 3 4 6 11 8 18 15 2 0 1 1 2 3 2 6 5 1 0 0 0 0 0 0 0 0 0 1 7 7 9 11 17 25 37 11 0 2 2 3 3 5 8 13 4 0 0 0 1 0 0 0 0 0 2 5 1 6 10 15 26 31 8 1 2 0 1 3 4 8 11 3 0 0 0 0 0 -1 0 0 0 0 2 1 5 8 14 26 25 6 0 1 0 1 2 4 9 9 3 0 0 0 0 0 0 0 0 0 0 1 3 3 7 12 24 27 5 0 1 2 1 2 3 9 10 2 0 0 1 1 0 0 1 0 0 0 2 6 3 8 16 23 31 8 0 1 2 1 2 5 8 11 3 0 0 0 0 0 0 0 0 0 1 5 1 2 6 11 19 28 8 0 2 1 1 2 4 7 11 3 0 0 0 0 0 1 1 0 0 1 3 4 3 11 15 21 28 8 0 1 2 1 4 5 8 11 3 0 0 0 0 1 0 1 1 0 0 1 2 3 5 8 12 10 2 0 0 1 1 2 3 5 4 1 0 0 0 0 0 0 0 1 0 I/Sigma = 21.62 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 7 Sum = 3094.02; Maximum = 49.5927; FM = 0.315 !Region 7: Section 1->3 0 1 0 0 1 1 0 0 0 0 5 3 2 3 3 1 0 0 2 26 17 15 11 10 4 0 0 0 1 2 1 3 3 1 1 1 1 6 7 4 5 7 2 1 1 7 39 33 27 22 18 9 3 0 0 1 2 2 3 2 1 1 0 1 5 4 3 4 4 2 2 0 6 31 24 20 15 11 6 3 1 0 1 0 1 2 2 0 1 0 1 4 1 3 2 4 1 2 0 3 18 15 13 9 7 4 4 0 0 0 0 0 0 1 0 0 0 0 1 2 1 0 4 0 1 0 1 10 12 9 5 6 2 1 0 0 0 1 2 0 1 -1 0 0 0 0 5 3 0 1 -1 0 0 1 7 11 6 4 4 2 1 0 0 -1 1 0 0 0 0 0 0 0 -1 2 0 0 1 2 2 0 1 5 7 6 3 3 4 3 0 0 0 1 0 1 0 -1 -1 0 0 0 1 0 1 2 1 0 0 0 2 4 5 3 3 2 2 0 0 0 0 0 1 0 -1 -1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 0 !Region 7: Section 4->6 7 65 48 43 36 30 16 1 0 7 52 50 49 46 36 23 4 0 2 12 19 22 25 19 17 8 0 17100 91 82 67 50 31 11 1 13 85 88 87 73 57 41 18 1 3 23 32 37 35 31 32 23 2 14 83 68 60 48 33 19 10 2 11 71 65 62 53 40 27 16 2 3 21 23 27 26 27 28 20 3 8 47 44 38 29 19 11 8 1 7 44 43 40 35 26 17 11 1 3 16 16 19 19 23 24 17 2 5 28 31 26 19 13 7 4 1 5 27 31 28 23 16 12 8 1 2 12 12 15 15 16 21 19 3 3 22 24 18 13 11 7 6 1 3 22 25 21 18 15 11 8 1 1 9 11 11 16 17 18 16 3 3 17 21 18 12 8 9 7 1 2 19 23 20 16 12 13 10 1 1 11 13 13 15 15 19 19 2 1 8 13 14 10 6 6 3 1 1 9 15 16 14 11 11 7 1 1 6 12 13 17 18 20 18 3 0 2 3 5 4 4 4 2 0 0 1 5 7 7 7 6 4 0 0 1 4 6 7 12 10 10 1 !Region 7: Section 7->9 0 1 5 4 5 6 8 7 0 0 0 2 1 1 1 3 2 0 0 0 0 1 0 0 1 0 0 0 3 6 7 9 12 20 18 2 0 0 1 3 1 2 6 5 1 0 0 -1 2 -1 -1 1 1 0 1 4 3 5 7 15 22 18 2 0 1 0 1 1 3 6 6 1 0 0 -1 0 0 -1 -1 0 0 1 5 3 5 7 16 23 18 3 0 2 0 1 2 4 7 6 2 0 1 -1 -1 0 -1 0 0 0 0 4 1 6 7 12 22 21 4 0 2 1 3 2 3 8 6 1 0 1 1 2 0 -1 2 -1 0 0 3 3 4 10 13 18 19 3 0 1 2 1 3 4 6 6 1 0 0 1 0 0 0 0 -1 0 1 6 7 7 10 13 19 20 3 0 2 3 3 4 6 8 8 1 0 0 0 1 1 2 1 1 0 0 3 8 9 13 16 21 22 4 0 1 3 3 5 5 9 9 2 0 0 1 1 2 1 2 1 0 0 1 2 4 5 11 10 11 2 0 0 1 1 2 4 4 5 1 0 0 1 0 0 0 1 1 0 I/Sigma = 39.68 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 8 Sum = 9474.09; Maximum = 133.675; FM = 0.353 !Region 8: Section 1->3 0 1 1 1 0 0 0 0 0 1 4 3 3 1 0 0 0 0 6 25 21 18 7 5 1 0 0 1 1 1 1 0 0 0 0 0 4 8 7 5 2 1 1 0 0 19 54 45 33 15 7 2 1 0 1 1 1 1 1 0 0 0 0 4 9 7 5 3 1 0 0 0 19 56 47 29 13 5 1 0 0 0 1 0 0 1 1 0 0 0 3 9 6 3 2 1 0 0 0 18 52 40 23 10 5 2 2 1 0 1 0 -1 0 1 0 0 0 3 8 5 2 1 2 1 0 0 16 47 33 14 6 3 2 1 1 0 0 0 -1 0 0 0 0 0 2 5 3 0 1 1 1 0 0 12 33 19 8 4 3 2 1 0 0 1 0 0 1 2 1 1 0 2 4 2 0 1 1 1 1 1 7 20 11 6 3 2 1 0 1 0 0 0 0 1 1 0 1 0 1 2 1 0 1 1 0 1 1 3 10 7 4 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 1 1 1 0 0 !Region 8: Section 4->6 15 40 39 42 17 19 5 1 0 14 21 27 45 35 43 14 2 0 5 5 9 27 38 43 16 2 1 38100 93 73 42 24 9 3 1 29 68 71 78 71 60 30 14 2 8 19 24 48 64 65 36 20 4 37100 89 63 33 17 7 3 0 28 66 67 69 56 42 25 14 3 7 18 24 45 52 48 34 22 6 35 91 73 47 25 13 6 4 1 26 58 53 50 41 31 19 12 3 6 14 20 33 37 36 27 20 6 30 77 57 29 15 9 5 3 1 21 46 39 33 27 25 15 10 2 5 11 15 24 27 30 22 18 5 21 54 34 19 11 7 4 2 0 14 32 26 26 21 19 13 9 2 3 9 12 21 22 25 20 16 5 14 34 23 15 8 5 3 1 1 10 23 21 21 19 16 11 8 2 2 8 12 18 21 22 17 15 5 6 19 15 12 7 5 4 2 1 5 15 17 19 17 14 11 7 2 1 7 12 18 20 19 17 14 5 1 5 7 4 3 3 2 1 0 0 4 8 7 7 8 6 5 1 0 2 6 8 9 11 8 9 2 !Region 8: Section 7->9 0 1 2 7 13 15 7 1 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 1 0 0 1 3 4 13 20 23 15 10 3 1 1 2 1 2 3 2 2 1 0 1 1 1 2 2 0 0 0 1 3 5 12 17 18 17 13 5 1 1 2 1 1 1 4 5 2 1 1 1 0 0 0 1 1 0 1 2 4 9 13 14 15 16 6 1 2 2 1 1 2 4 7 2 0 2 1 1 0 0 1 1 0 1 1 4 8 11 13 13 16 6 0 0 1 1 2 2 4 7 3 0 0 0 1 1 0 1 2 1 0 2 4 7 9 11 14 16 8 0 0 1 1 1 1 4 9 5 0 0 0 1 1 0 0 3 1 0 2 5 6 8 10 12 15 7 0 0 1 1 1 2 4 8 5 0 0 0 0 0 1 1 3 1 0 2 5 7 8 9 12 15 7 0 0 2 2 1 2 5 9 4 0 0 1 1 0 0 2 3 1 0 0 2 3 4 6 4 8 4 0 0 1 0 0 2 2 5 3 0 0 1 0 0 0 1 2 1 I/Sigma = 150.69 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.061 Region 9 Sum = 120297; Maximum = 1674.84; FM = 0.802 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 0 0 0 0 0 4 8 10 9 6 4 2 1 0 1 1 1 0 0 0 0 0 0 2 4 2 1 1 1 0 0 0 5 12 15 16 13 8 3 1 0 1 2 1 1 0 0 0 0 0 3 6 5 3 1 1 1 0 0 6 18 22 25 22 14 5 1 0 1 2 2 1 1 0 0 0 0 3 8 7 5 3 1 1 0 0 7 22 28 35 33 22 9 2 0 1 2 2 2 1 1 0 0 0 4 9 9 7 5 2 1 0 0 7 23 31 40 38 28 13 3 0 1 3 3 2 1 1 0 0 0 3 9 10 8 6 3 1 0 0 6 20 29 38 37 28 14 3 0 1 2 2 2 1 1 0 0 0 3 8 8 7 5 3 1 0 0 4 15 23 28 27 19 10 2 0 0 1 1 1 0 0 0 0 0 1 3 3 3 2 1 0 0 0 2 5 8 10 9 6 2 0 0 !Region 9: Section 4->6 2 7 10 10 6 4 2 1 0 2 7 11 12 9 6 3 1 0 1 2 4 5 5 4 3 2 1 8 22 33 34 25 16 7 2 1 7 21 33 37 32 23 11 4 1 2 6 10 14 15 15 11 7 2 9 28 43 52 45 29 12 3 1 7 26 41 54 51 37 18 6 1 2 7 13 20 24 24 19 12 3 10 36 56 74 70 46 19 4 1 8 30 52 72 73 54 27 9 2 2 8 17 27 33 33 27 18 5 11 40 65 93 92 66 29 6 1 8 31 55 85 87 67 34 10 2 2 7 16 30 37 37 30 20 5 10 39 66 96100 76 35 7 1 7 28 52 82 89 69 34 10 2 1 6 13 26 34 34 25 18 5 6 29 56 87 92 72 35 7 1 4 20 42 69 76 59 29 8 1 1 4 9 18 24 23 17 13 3 4 18 38 59 61 46 22 4 1 3 12 27 44 47 35 17 5 1 1 2 5 9 12 12 9 7 2 2 6 14 19 18 14 4 1 0 1 4 10 14 13 10 4 1 0 0 1 2 3 3 3 2 1 0 !Region 9: Section 7->9 0 0 0 1 1 2 3 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 4 8 10 9 4 0 0 0 1 1 3 5 6 2 0 0 0 0 0 1 1 1 0 0 1 2 4 8 14 17 16 6 0 0 0 1 3 6 9 9 3 0 0 0 0 0 1 2 1 0 0 1 3 6 12 18 23 23 8 0 0 0 1 4 7 10 11 4 0 0 0 0 1 1 2 2 1 0 1 3 7 13 20 23 23 8 0 0 0 1 3 7 9 11 4 0 0 0 0 0 1 1 1 0 0 1 2 5 10 17 19 20 7 0 0 0 1 2 5 7 9 3 0 0 0 0 0 0 1 1 0 0 1 1 3 6 10 13 14 5 0 0 0 1 1 3 5 6 2 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 7 8 3 0 0 0 0 1 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 4.4143 0.8644 20.116 126.225 Orientation ('UB') matrix: 0.1439917 0.0357537 -0.0039335 0.0301695 -0.0025775 0.0772690 0.0658750 -0.0769712 -0.0044146 A B C Alpha Beta Gamma Vol 6.2474 11.7773 12.9948 90.000 96.776 90.000 949.45 0.0003 0.0013 0.0010 0.000 0.003 0.000 0.17 Corrected for goodness of fit: 0.0011 0.0045 0.0037 0.000 0.010 0.000 0.60 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.100 96.081 24.267 Goniometer zeros (deg): 0.0000* 0.1238 0.0000* 0.0146 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7996 -0.7229 0.0731 -0.4920 -0.1838 0.8083 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.45573e+04 7.30459e+03 3.61 2 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 174 Average input ESD (pix, pix, deg): 0.16845 0.14190 0.05645 Goodness of fit: 3.80740 3.89525 2.77620 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:37 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 0.091 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 96.98% 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 3.87 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.87 1.000 2_0003 2 0.17 -0.43 -0.14 0.21 0.47 0.14 10240 43 0 0.36 24 3.44 2.93 3.87 1.000 3_0004 6 0.80 -0.55 -0.17 1.28 1.04 0.33 87706 100 0 0.43 26 2.75 2.73 3.77 1.000 4_0005 11 -0.06 -0.25 0.03 0.12 0.28 0.09 32212 66 0 0.68 27 2.85 3.01 3.61 1.000 5_0006 11 0.11 -0.32 -0.00 0.24 0.43 0.14 26663 64 0 0.64 28 3.06 3.20 3.38 1.000 6_0007 12 0.03 -0.24 0.22 0.17 0.31 0.79 28238 54 8 0.68 26 3.00 3.20 3.25 1.000 7_0008 9 0.16 -0.18 -0.30 0.46 0.20 0.92 6577.3 27 11 0.61 27 2.90 3.12 3.15 1.000 8_0009 12 0.00 -0.20 0.06 0.17 0.31 0.21 67321 102 8 0.74 27 2.88 3.16 3.11 1.000 9_0010 10 0.04 -0.20 0.02 0.29 0.27 0.30 15157 43 0 0.64 28 2.82 3.10 3.14 1.000 10_0011 9 0.15 -0.19 -0.04 0.23 0.26 0.14 63659 79 0 0.73 28 2.82 3.10 3.14 1.000 11_0012 8 -0.01 -0.19 -0.06 0.15 0.33 0.09 103399 131 0 0.74 29 2.82 3.14 3.06 1.000 12_0013 15 0.16 -0.28 -0.05 0.47 0.53 0.18 26112 49 7 0.62 25 2.77 3.07 3.19 1.000 13_0014 9 0.01 -0.15 0.11 0.13 0.26 0.17 103259 109 0 0.74 28 2.77 3.08 3.15 1.000 14_0015 13 0.28 -0.32 0.19 0.77 0.41 0.80 27998 49 8 0.68 26 2.77 3.11 3.15 1.000 15_0016 9 -0.01 -0.15 0.11 0.14 0.20 0.22 14250 28 22 0.67 27 2.73 3.09 3.14 1.000 16_0017 10 0.01 -0.28 0.10 0.23 0.40 0.22 23189 56 0 0.76 27 2.74 3.10 3.15 1.000 17_0018 8 -0.03 -0.10 -0.02 0.24 0.13 0.13 45494 81 0 0.64 28 2.76 3.11 3.10 1.000 18_0019 8 0.10 -0.08 -0.05 0.20 0.16 0.19 53219 94 0 0.72 26 2.77 3.12 3.08 1.000 19_0020 12 -0.07 -0.16 -0.01 0.24 0.23 0.19 56269 74 0 0.69 27 2.77 3.15 3.06 1.000 Background pixels updated = 97.45% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.12 -0.13 0.02 0.41 0.24 0.11 14126 45 0 0.67 26 2.78 3.14 3.12 1.000 21_0022 10 -0.09 -0.23 0.08 0.25 0.36 0.23 44425 72 0 0.70 26 2.77 3.13 3.11 1.000 22_0023 6 -0.19 -0.16 0.17 0.32 0.29 0.29 31565 62 0 0.66 24 2.77 3.12 3.10 1.000 23_0024 9 -0.09 -0.09 0.03 0.19 0.25 0.18 84129 99 0 0.82 27 2.75 3.10 3.13 1.000 24_0025 9 0.02 -0.07 0.09 0.08 0.11 0.24 34356 67 0 0.70 28 2.75 3.09 3.14 1.000 25_0026 11 -0.19 -0.05 0.23 0.87 0.24 0.90 25929 52 9 0.69 27 2.73 3.10 3.13 1.000 I/Sigma = 55.65 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.069 Region 1 Sum = 17545.2; Maximum = 183.098; FM = 0.526 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 4 6 5 3 1 1 1 0 0 12 21 22 14 12 5 2 2 0 0 1 1 0 0 0 0 0 0 4 9 7 5 2 1 1 1 0 27 59 51 35 19 9 4 3 1 0 1 1 1 0 0 0 0 0 7 11 9 6 3 1 1 1 0 35 69 63 43 24 11 5 3 1 0 0 1 0 0 0 0 0 0 5 9 8 5 3 2 1 1 0 28 61 58 41 25 10 5 3 1 0 0 0 0 0 0 1 1 0 4 7 6 4 2 2 1 1 0 21 45 43 30 17 8 4 3 1 0 0 0 0 0 0 0 0 0 4 6 5 4 2 1 1 1 0 22 42 42 30 16 7 4 3 1 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 1 1 0 6 15 16 13 7 4 3 3 1 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 6 13 14 13 7 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 2 2 2 1 1 1 1 !Region 1: Section 4->6 13 28 37 31 21 10 5 4 1 6 18 28 30 19 17 16 13 3 3 7 12 16 16 23 28 22 4 42 96 89 72 50 32 18 11 3 22 52 61 73 78 72 58 40 12 5 14 25 46 68 81 83 65 19 46100100 80 55 31 18 10 3 19 49 59 66 67 62 54 39 11 3 11 20 34 54 71 80 66 17 36 89 94 80 61 34 19 10 3 16 43 57 68 74 67 54 37 11 3 10 19 34 54 71 79 63 16 28 66 71 57 41 27 18 11 3 11 31 42 48 58 61 55 41 13 2 7 13 27 50 70 77 66 21 27 59 65 54 37 20 12 9 2 10 26 35 39 42 37 32 25 8 2 6 11 19 30 41 48 46 13 9 22 26 24 19 13 9 6 2 4 12 17 23 29 29 26 21 7 1 4 7 15 25 35 40 37 13 9 19 23 23 17 11 8 5 2 4 10 15 20 23 23 21 17 6 1 4 6 12 21 29 33 33 11 1 2 3 4 3 2 3 2 1 1 2 3 4 6 5 7 6 3 1 1 2 4 8 7 8 10 5 !Region 1: Section 7->9 1 2 3 5 7 12 16 12 2 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 4 7 13 23 34 43 37 10 0 1 1 1 2 4 7 5 1 0 0 0 0 1 0 1 0 0 1 3 5 10 19 32 42 38 9 0 0 1 1 2 4 6 6 1 0 0 0 0 1 0 0 0 0 1 2 5 8 17 31 44 40 9 0 0 1 1 2 4 7 7 1 0 0 0 0 0 0 0 0 0 1 2 3 8 17 29 39 38 11 0 0 1 1 1 3 5 6 2 0 0 1 0 0 1 0 0 0 1 2 3 6 11 20 31 33 7 0 1 1 1 2 3 7 7 1 0 0 0 0 0 0 0 0 0 1 2 2 5 9 16 22 23 8 0 1 0 1 1 2 4 5 1 0 0 0 0 0 1 1 0 0 0 1 2 4 8 14 21 25 7 0 1 1 1 1 2 5 6 2 0 0 0 0 0 1 1 1 0 0 0 1 2 4 3 4 6 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 253.74 Thresh = 0.020 Blend = F #Contributing = 65 InitialProfileWt = 0.041 Region 2 Sum = 320732; Maximum = 5618.85; FM = 0.899 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 4 9 14 12 6 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 4 3 2 1 0 0 2 7 14 22 22 12 3 1 0 0 0 1 1 0 0 0 0 0 1 3 4 5 5 3 1 0 0 2 8 16 28 32 22 8 2 0 0 1 1 1 1 0 0 0 0 1 3 5 6 5 4 1 0 0 2 9 20 34 38 30 13 3 0 0 1 1 1 1 0 0 0 0 1 3 4 6 5 3 1 0 0 1 7 17 30 33 28 13 3 0 0 0 1 1 0 0 0 0 0 1 2 3 4 3 2 1 0 0 1 5 12 24 27 21 9 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 3 7 15 17 11 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 5 3 1 0 0 !Region 2: Section 4->6 1 3 5 7 5 2 1 0 0 0 2 3 5 5 3 1 0 0 0 0 1 2 3 2 1 0 0 2 9 20 34 32 17 5 2 0 1 6 16 29 31 18 7 2 0 0 1 4 9 13 12 6 2 0 3 12 29 49 53 32 10 2 0 2 8 22 42 50 34 12 3 1 0 2 6 15 23 22 12 5 1 3 15 35 65 81 61 24 5 1 2 11 29 58 76 62 27 7 1 0 2 9 24 36 35 21 8 1 3 17 45 85100 83 39 9 1 2 13 38 75 92 81 41 11 1 0 3 12 30 43 43 27 11 2 2 13 38 72 84 75 40 9 1 1 10 33 65 78 72 40 10 1 0 3 11 27 39 38 24 10 2 1 8 27 59 73 60 27 5 1 1 6 23 52 68 58 28 7 1 0 2 7 18 30 29 17 7 1 1 4 15 37 49 33 11 2 0 0 3 12 31 44 32 12 3 1 0 1 3 9 18 18 10 4 1 0 1 4 8 14 10 3 1 0 0 1 3 8 13 10 4 1 0 0 0 1 3 4 4 2 1 0 !Region 2: Section 7->9 0 0 0 1 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 1 2 5 7 5 2 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 11 15 10 4 1 0 0 0 1 3 5 4 2 0 0 0 0 0 0 1 0 0 0 0 0 3 11 19 21 15 7 1 0 0 1 3 6 7 5 3 0 0 0 0 0 0 1 1 0 0 0 1 4 15 25 26 18 9 2 0 0 1 4 7 7 6 3 1 0 0 0 0 0 1 1 0 0 0 1 3 12 22 24 16 9 2 0 0 1 3 6 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 2 7 16 18 11 6 1 0 0 0 2 4 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 8 11 8 4 1 0 0 0 1 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 133.27 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.103 Region 3 Sum = 95094.2; Maximum = 1638.4; FM = 0.895 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 5 5 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 1 0 0 1 3 6 12 15 14 6 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 2 0 0 1 3 7 14 19 19 8 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 1 0 0 0 3 7 14 19 19 8 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 0 1 4 8 14 17 15 6 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 1 0 0 0 1 5 8 12 12 9 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 4 7 9 7 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 !Region 3: Section 4->6 0 2 6 15 18 14 4 1 0 1 2 6 17 22 17 6 1 0 0 1 3 7 11 9 4 1 0 1 4 13 33 47 39 15 3 0 1 4 13 38 58 47 18 4 1 0 2 5 17 29 26 13 4 1 1 4 16 43 62 57 22 5 0 1 4 17 54 82 71 28 7 1 0 2 9 28 45 40 19 6 1 1 5 19 49 70 67 28 6 1 1 5 24 69100 93 40 11 2 0 3 14 42 63 56 27 10 2 1 7 22 49 66 62 26 6 1 1 7 30 72 99 94 41 11 2 0 4 20 51 69 61 30 11 2 1 8 23 44 52 43 19 5 1 1 9 33 67 83 73 34 10 2 1 6 25 53 63 53 27 10 2 2 8 20 33 34 26 11 3 1 1 9 30 55 61 51 23 8 2 1 7 25 48 50 42 21 9 2 1 6 14 22 20 14 6 2 0 1 7 22 38 38 30 14 6 1 0 5 21 35 33 27 15 7 2 0 1 4 7 6 5 2 1 0 0 1 7 11 13 10 4 1 0 0 1 6 11 12 9 4 2 0 !Region 3: Section 7->9 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 6 7 5 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 11 12 7 3 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 12 19 17 10 4 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 7 19 25 20 11 5 1 0 0 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 10 23 25 19 10 4 1 0 0 2 4 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 3 12 23 21 16 9 4 1 0 1 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 11 18 15 11 7 4 1 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 7 5 4 2 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 61.57 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 4 Sum = 17578.8; Maximum = 294.537; FM = 0.586 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 3 5 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 9 10 8 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 2 8 8 7 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 6 6 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 5 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 4 4 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 2 2 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 2 2 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 0 1 1 1 1 1 0 0 !Region 4: Section 4->6 1 11 33 23 22 10 5 2 0 1 13 46 35 34 18 10 4 1 0 5 19 17 19 19 17 10 2 6 35 58 66 49 31 14 5 1 5 39 82100 76 54 28 11 2 2 14 33 43 40 43 42 26 5 5 28 47 59 50 36 20 6 1 4 31 64 90 80 62 38 14 3 1 10 25 38 40 44 47 33 7 3 19 34 47 45 38 23 9 1 3 20 44 73 72 64 43 18 3 1 6 17 31 35 41 47 35 8 2 12 22 34 34 33 24 10 1 2 12 28 52 56 55 43 21 4 1 4 11 23 27 33 43 34 7 1 8 16 22 25 24 19 10 1 1 9 21 33 39 40 35 20 3 1 3 8 14 18 24 33 29 7 1 6 11 15 17 16 15 9 1 1 7 14 22 26 28 26 16 3 0 3 6 9 12 16 23 22 5 1 5 8 12 12 12 10 6 1 1 5 11 17 18 20 18 11 2 0 2 4 7 9 11 15 14 3 0 2 3 5 6 5 4 1 0 0 2 4 8 8 8 7 3 1 0 1 2 3 3 4 6 4 1 !Region 4: Section 7->9 0 1 2 3 7 14 16 12 2 0 0 1 1 2 5 5 4 1 0 0 0 0 0 0 0 0 0 1 2 4 6 12 28 40 28 6 0 1 1 2 3 9 12 9 2 0 1 1 0 0 1 0 0 0 1 2 3 5 10 25 42 36 8 0 1 1 2 3 7 13 12 3 0 0 0 0 1 1 0 0 0 1 1 3 4 8 19 41 38 8 0 1 1 2 3 6 13 12 3 0 0 1 0 0 0 0 0 0 0 1 2 4 6 15 36 35 8 0 1 1 2 2 5 12 12 3 0 0 0 1 0 0 0 1 0 0 1 2 3 4 11 27 29 7 0 0 1 1 1 4 9 10 2 0 0 0 0 0 0 0 0 0 0 1 1 2 3 7 19 23 5 0 0 1 1 1 2 7 8 2 0 0 0 0 0 0 0 0 0 0 1 1 1 2 4 12 15 3 0 0 0 0 1 1 4 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 5 1 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 22.63 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 1506.81; Maximum = 25.8158; FM = 0.365 !Region 5: Section 1->3 0 0 1 1 0 2 2 0 0 0 0 0 2 0 2 3 -1 0 0 4 9 14 5 9 5 0 0 1 2 2 2 0 1 2 -1 0 1 3 2 4 1 2 3 -2 -1 8 36 23 26 23 18 13 2 0 1 1 0 0 0 1 2 -1 0 2 2 0 0 0 1 2 -2 -1 7 32 24 18 17 19 15 3 0 1 -1 0 1 1 2 1 -1 0 1 -1 -1 1 3 2 -1 -3 0 5 29 21 13 17 14 9 3 0 0 -1 0 0 2 2 0 0 0 -1 -2 1 -1 3 2 -1 -1 0 3 15 19 9 14 12 8 3 0 0 -1 0 0 0 0 0 0 0 0 0 2 0 0 2 -1 -1 0 3 11 13 7 9 10 6 3 0 0 -1 -1 0 1 1 0 0 0 0 -1 -1 0 3 3 0 0 0 1 8 9 8 10 9 4 2 0 0 -1 -1 0 1 2 1 -1 0 0 -1 -2 0 2 3 1 -1 0 0 5 7 8 9 8 3 1 0 0 0 -1 0 0 0 1 0 0 0 0 -1 0 -1 0 1 0 0 0 0 2 3 3 6 1 1 0 !Region 5: Section 4->6 0 11 29 40 16 25 11 2 0 0 7 22 31 13 19 8 2 0 0 0 3 7 6 13 16 7 1 21100 67 70 68 52 35 10 0 14 68 48 51 53 41 27 9 1 0 4 5 8 16 31 30 23 2 18 96 72 57 53 55 42 12 1 12 68 52 42 42 41 32 11 1 1 3 6 10 13 22 32 28 3 15 90 67 39 45 42 30 16 1 10 65 50 29 33 31 24 14 1 1 5 8 8 10 14 25 23 3 9 51 53 31 38 35 28 13 1 7 37 37 22 29 26 22 11 1 1 6 6 1 6 8 14 14 2 7 33 33 23 27 22 22 13 1 5 24 23 17 21 16 17 12 1 0 1 1 1 6 4 13 13 1 4 27 26 26 24 16 14 7 1 3 20 18 20 17 10 10 6 1 0 1 1 3 3 3 7 11 2 2 17 23 23 23 20 9 4 0 1 11 17 17 16 14 7 4 0 0 -1 3 3 2 7 11 12 2 0 2 8 9 12 17 4 2 0 0 1 6 6 9 12 3 1 0 0 0 2 1 1 5 3 5 1 !Region 5: Section 7->9 0 0 2 5 7 17 23 10 1 0 0 1 1 3 5 8 4 1 0 0 0 -1 1 -1 0 0 0 0 1 1 7 15 37 40 34 4 0 0 0 2 5 12 14 12 1 0 0 0 0 1 1 0 -1 0 0 -2 3 10 13 26 41 40 4 0 -1 0 4 4 10 14 15 2 0 -1 -1 0 0 2 1 1 0 0 1 6 8 11 17 31 32 4 0 -1 2 2 4 5 10 13 2 0 -2 0 -2 0 -1 0 2 0 0 5 5 0 4 8 17 19 2 1 1 2 0 3 2 4 8 1 0 -1 0 0 2 -1 -2 1 0 0 -2 -1 0 6 5 17 18 2 0 -1 1 2 3 1 6 8 1 0 0 2 2 1 -2 0 3 1 0 -2 -1 1 2 4 9 17 3 0 0 1 1 3 1 3 9 1 0 1 2 0 2 -1 0 4 0 0 -1 2 3 1 9 15 19 3 0 0 0 1 0 2 5 8 1 0 0 -1 0 0 -2 0 1 0 0 0 2 2 1 5 5 8 2 0 0 1 1 0 1 2 3 1 0 0 0 0 0 -1 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.01702; Maximum = 0.012404; FM = 0.461 !Region 6: Section 1->3 0 0 1 1 0 1 1 0 0 1 5 3 3 1 2 2 -1 0 3 14 15 15 7 8 5 0 0 1 2 1 2 0 1 1 0 0 3 9 7 6 2 3 2 -1 0 11 45 33 28 22 16 11 3 0 1 1 0 1 0 1 1 0 0 3 8 5 3 2 3 3 0 0 11 42 33 23 18 17 13 4 0 0 0 0 1 1 2 1 0 0 2 5 3 3 3 3 2 0 0 9 37 28 18 16 13 9 3 0 0 -1 0 0 1 1 0 0 0 1 2 3 1 3 2 1 0 0 6 22 23 13 13 10 8 3 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 2 1 0 0 5 15 16 10 9 7 6 3 0 0 0 -1 0 1 1 0 0 0 0 0 0 1 2 3 1 0 0 2 9 9 8 8 6 4 2 0 0 0 -1 1 1 1 1 0 0 0 0 -1 2 2 2 1 0 0 1 6 7 9 7 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 -1 0 1 0 0 0 1 2 3 2 4 1 1 0 !Region 6: Section 4->6 3 24 39 44 27 28 14 3 0 2 20 38 47 35 38 21 5 0 1 7 12 19 19 28 24 8 1 22100 84 84 78 58 40 16 2 15 79 79 90 94 78 57 27 4 2 16 24 35 48 59 54 35 5 20 99 91 75 63 56 45 21 3 13 81 87 82 77 69 59 34 6 2 17 26 34 41 48 51 42 7 17 91 82 56 53 45 34 18 2 12 76 78 62 62 56 45 27 4 2 17 25 27 33 37 40 33 6 12 62 63 42 40 36 28 14 2 9 56 60 46 47 45 35 21 4 2 16 19 18 24 27 29 26 5 10 42 40 30 29 23 20 12 1 7 39 38 31 33 28 24 15 2 1 10 12 12 18 17 23 21 3 5 27 26 26 22 15 13 7 1 4 25 25 27 24 18 15 10 2 1 6 8 11 12 13 15 17 3 3 16 23 24 21 16 9 5 1 2 13 22 23 21 18 12 7 1 0 2 8 10 10 14 16 16 3 0 2 8 9 10 12 4 3 1 0 2 8 9 10 12 5 3 1 0 0 4 5 5 7 5 6 2 !Region 6: Section 7->9 0 1 3 6 8 16 19 8 1 0 1 1 2 3 4 5 2 0 0 0 0 0 1 -1 0 0 0 0 3 3 10 19 35 37 30 4 0 1 1 3 5 9 10 9 1 0 0 0 1 1 1 0 0 0 0 1 4 11 15 27 36 35 5 0 0 0 4 4 8 10 11 2 0 -1 -1 0 1 1 0 1 0 0 2 6 9 13 20 30 31 5 0 0 1 2 3 5 8 11 2 0 -1 0 -1 1 0 0 2 0 1 5 5 3 8 12 21 24 4 1 1 2 0 2 2 5 9 1 0 -1 0 0 1 -1 -1 1 0 0 0 2 2 8 10 20 23 3 0 0 1 1 3 2 7 10 2 0 0 1 2 2 -1 0 2 0 0 -1 1 3 5 8 13 21 4 0 0 1 1 3 2 4 10 1 0 1 2 1 2 0 0 3 0 0 0 3 4 4 11 17 21 4 0 0 1 1 1 3 6 8 1 0 0 0 0 0 -1 0 1 0 0 0 3 3 3 5 5 8 2 0 0 1 1 1 2 2 3 1 0 0 0 0 0 0 1 0 0 I/Sigma = 28.68 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 7 Sum = 4620.42; Maximum = 68.2951; FM = 0.474 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 7 5 3 1 1 0 0 0 2 17 13 9 5 3 2 1 0 0 1 0 1 0 1 0 0 0 3 13 10 5 3 3 1 1 0 7 32 27 16 12 8 5 3 0 0 1 0 1 0 1 1 1 0 2 11 7 5 3 4 4 2 0 6 27 22 14 10 8 7 4 0 0 1 0 1 0 0 1 1 0 2 9 4 4 2 2 5 2 0 5 24 16 10 6 5 7 3 0 0 0 0 0 0 0 1 1 0 1 5 4 2 2 1 3 1 0 3 15 12 7 4 4 4 2 0 0 0 0 0 0 0 0 0 0 0 2 2 0 1 1 1 1 0 1 8 7 3 4 2 3 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 2 1 0 0 4 3 4 2 1 3 1 0 0 0 0 1 0 0 0 0 0 0 1 0 3 1 0 1 0 0 1 2 2 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 1 1 0 !Region 7: Section 4->6 3 26 31 31 28 23 13 2 0 3 26 40 46 46 46 27 3 0 1 10 17 25 25 33 21 2 0 8 55 63 63 59 43 32 17 2 7 59 81 95100 84 65 32 4 3 23 34 47 58 59 50 25 3 8 56 68 59 47 36 33 22 3 7 65 91 92 83 69 63 44 8 2 26 38 46 50 50 44 34 7 7 51 58 44 35 30 25 14 2 7 61 79 69 63 56 45 28 5 3 24 34 35 39 39 31 24 5 7 45 44 31 22 22 16 9 1 8 58 62 50 43 41 29 19 3 3 23 27 27 29 28 23 19 3 4 29 25 19 16 13 9 5 1 5 40 37 31 28 26 18 10 1 2 17 19 18 20 19 17 15 2 2 15 15 14 11 8 6 3 0 3 22 23 23 20 17 11 7 1 1 9 13 14 14 15 13 12 2 1 6 12 13 9 6 5 3 0 1 9 19 21 16 13 11 6 1 0 4 10 12 11 12 12 10 2 0 1 4 6 4 3 2 2 0 0 2 7 10 8 7 4 4 1 0 1 5 6 7 6 4 4 1 !Region 7: Section 7->9 0 2 2 5 5 8 6 1 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 3 3 9 13 16 15 10 1 0 1 1 3 4 3 2 2 0 0 0 0 1 1 0 0 0 0 0 3 3 8 10 14 12 12 3 0 1 1 2 3 3 1 3 1 0 0 0 0 1 1 -1 0 0 0 2 3 6 8 11 10 13 3 0 0 0 1 2 2 2 5 1 0 -1 0 0 1 0 0 1 0 0 3 3 4 7 7 12 15 3 0 1 1 0 0 1 4 6 1 0 0 0 0 -1 0 0 0 0 0 2 4 3 7 8 12 16 3 0 1 1 1 2 3 5 7 1 0 0 0 1 1 1 0 1 0 0 0 3 2 5 8 10 14 2 0 0 1 1 2 2 4 7 1 0 1 1 1 1 0 0 1 0 0 1 2 3 4 7 10 11 2 0 1 1 1 2 3 4 5 1 0 1 1 0 1 0 0 0 0 0 1 3 2 4 4 4 5 1 0 0 1 1 2 2 3 3 1 0 0 0 0 0 0 1 1 0 I/Sigma = 39.66 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 8 Sum = 9553.55; Maximum = 109.904; FM = 0.513 !Region 8: Section 1->3 0 1 1 0 0 1 0 0 0 1 4 2 1 1 1 0 0 0 4 13 15 10 7 4 1 0 0 0 1 1 1 1 0 0 1 0 1 4 2 2 2 1 0 1 0 13 36 27 22 17 10 3 1 0 0 0 0 1 1 0 0 0 0 1 3 2 2 2 1 0 1 0 14 42 33 27 18 9 3 1 0 0 1 0 -1 0 0 0 1 0 1 4 2 1 1 1 1 1 0 17 47 33 27 17 8 3 3 0 0 1 0 -1 0 0 0 -1 0 1 4 2 0 1 1 1 0 0 17 47 33 25 14 5 3 1 0 0 0 0 0 -1 1 1 0 0 1 3 2 1 0 1 1 0 0 15 39 30 21 8 3 2 0 0 0 0 0 0 0 1 2 1 0 0 2 2 1 0 1 2 1 0 11 27 21 12 5 3 2 1 0 0 1 0 0 0 2 1 0 0 0 2 1 0 1 2 1 0 0 6 15 12 7 3 3 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 3 3 3 1 1 0 1 0 !Region 8: Section 4->6 9 25 37 41 29 15 15 4 1 8 23 33 56 43 30 39 12 2 2 7 11 24 26 35 42 14 2 25 76 76 73 60 39 22 8 2 16 55 75 86 86 77 59 27 6 3 14 27 37 57 77 70 36 8 30 91 88 80 62 36 20 7 1 19 65 84 91 87 71 55 28 6 3 15 29 40 57 69 68 42 10 35100 90 80 54 30 15 7 1 22 69 84 85 74 58 40 21 5 4 15 27 37 51 57 50 32 10 34 97 87 68 41 20 11 5 1 21 66 80 69 55 40 29 16 4 4 15 25 30 39 40 38 25 7 28 81 71 52 26 13 7 3 1 16 55 60 52 37 27 21 12 3 2 11 19 23 28 28 29 20 6 21 57 50 32 16 9 6 3 0 13 38 43 33 24 19 15 10 3 2 8 14 16 21 22 23 18 5 12 33 31 20 11 7 4 3 1 8 24 29 23 20 17 12 9 3 1 5 11 13 19 21 19 16 5 3 7 9 8 5 2 1 2 0 2 5 8 10 9 6 5 5 2 0 1 4 6 9 9 8 8 3 !Region 8: Section 7->9 0 1 1 2 6 15 17 6 1 0 0 -1 -1 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 1 2 5 17 29 29 17 4 0 -1 0 0 1 1 2 2 0 0 -1 0 0 0 0 1 0 0 0 1 4 6 16 26 29 21 6 0 0 0 1 1 1 2 3 1 0 0 0 0 0 1 1 1 0 1 1 3 7 15 22 23 19 6 0 0 1 2 0 2 3 5 2 0 0 0 1 0 1 1 2 0 1 2 2 6 12 16 19 16 5 0 2 1 1 1 2 3 5 1 0 1 0 1 0 0 1 2 0 0 1 2 4 11 13 15 13 4 0 0 0 0 2 2 2 4 1 0 0 0 0 1 1 1 2 0 0 1 2 5 8 10 13 14 4 0 1 1 2 1 2 3 5 1 0 1 0 1 1 1 1 1 0 0 0 3 5 8 10 12 13 4 0 1 1 2 1 1 4 5 2 0 1 1 1 0 0 1 2 1 0 0 1 2 4 5 6 5 2 0 0 0 1 1 0 2 2 1 0 0 0 0 0 0 0 1 0 I/Sigma = 168.99 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.079 Region 9 Sum = 139452; Maximum = 2188.43; FM = 0.877 !Region 9: Section 1->3 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 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 5 5 5 4 2 1 1 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 2 8 9 9 8 5 2 1 0 0 1 1 0 0 0 0 0 0 2 5 4 2 1 1 0 0 0 3 11 13 14 14 9 4 1 0 1 1 1 1 0 0 0 0 0 2 6 6 5 3 1 1 0 0 4 14 18 20 20 15 7 2 0 1 2 2 1 1 0 0 0 0 3 8 7 7 4 2 1 0 0 4 15 19 24 24 18 9 2 0 1 2 2 1 1 0 0 0 0 2 7 8 7 5 3 1 0 0 4 13 18 21 22 16 9 2 0 0 1 1 1 1 0 0 0 0 2 6 6 6 4 2 1 0 0 3 10 13 16 15 11 5 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 1 4 5 6 6 4 1 0 0 !Region 9: Section 4->6 1 4 7 6 5 3 2 1 0 1 6 10 10 9 7 4 2 1 1 2 5 5 6 6 4 2 1 3 11 20 23 20 14 7 2 1 4 14 26 33 32 26 14 5 1 1 6 11 16 20 20 14 8 2 4 18 30 37 38 27 13 4 1 4 19 36 49 56 45 25 9 2 2 8 16 25 34 34 25 13 3 5 22 38 52 61 44 20 6 1 5 22 43 64 80 64 34 12 2 2 8 19 32 44 43 32 17 5 6 26 47 66 78 60 29 7 1 5 24 50 78 97 78 40 13 2 2 8 19 37 49 47 32 18 5 5 24 45 68 86 68 36 9 1 4 21 46 75100 81 43 13 2 1 6 15 31 47 41 27 15 4 4 17 36 55 70 55 30 7 1 2 13 33 56 76 60 33 9 1 1 4 10 20 31 26 17 10 3 3 12 24 39 46 33 16 3 1 2 8 21 38 48 34 17 5 1 0 2 6 12 17 13 8 5 2 1 5 9 16 17 10 4 1 0 1 3 8 16 18 10 5 1 0 0 1 3 5 6 4 3 1 0 !Region 9: Section 7->9 0 0 1 1 2 2 3 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 1 2 4 6 9 11 9 3 0 0 0 1 2 4 6 6 2 0 0 0 0 0 1 1 1 0 0 1 3 6 11 16 19 15 6 0 0 0 1 3 6 10 9 4 0 0 0 0 1 1 2 2 1 0 1 4 8 15 19 23 20 7 0 0 0 1 4 7 11 11 4 0 0 0 0 1 1 2 2 1 0 1 3 8 15 20 22 20 8 0 0 0 1 3 7 10 11 5 0 0 0 0 0 1 1 2 1 0 1 2 6 11 15 16 16 7 0 0 0 1 2 4 7 8 4 0 0 0 0 0 1 1 1 0 0 0 1 3 6 8 10 11 6 0 0 0 0 1 2 4 6 3 0 0 0 0 0 0 0 1 0 0 0 1 1 2 3 5 6 3 0 0 0 0 0 1 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (205 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 205 0 205 4.4139 0.8646 20.117 126.163 Orientation ('UB') matrix: 0.1440549 0.0357207 -0.0038622 0.0299410 -0.0026459 0.0772210 0.0657783 -0.0770241 -0.0044438 A B C Alpha Beta Gamma Vol 6.2478 11.7723 13.0020 90.000 96.733 90.000 949.72 0.0003 0.0012 0.0010 0.000 0.003 0.000 0.15 Corrected for goodness of fit: 0.0007 0.0033 0.0027 0.000 0.008 0.000 0.43 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.011 96.083 24.233 Goniometer zeros (deg): 0.0000* 0.1440 0.0000* 0.0168 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8350 -0.8827 0.0716 -0.4028 -0.2174 0.8327 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.98029e+03 4.49506e+03 2.80 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 205 205 178 Average input ESD (pix, pix, deg): 0.15834 0.13584 0.05177 Goodness of fit: 3.13321 2.63014 2.44542 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:39 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 96.94% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.87 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.87 1.000 2_0003 2 0.12 -0.23 -0.13 0.13 0.24 0.13 11953 47 0 0.54 24 3.55 2.81 3.87 1.000 3_0004 6 0.62 -0.24 -0.12 1.04 0.61 0.28 90375 102 0 0.43 26 2.80 2.75 3.72 1.000 4_0005 11 -0.06 -0.14 0.00 0.22 0.16 0.09 33797 69 0 0.70 27 2.84 2.96 3.61 1.000 5_0006 11 0.06 -0.16 0.05 0.13 0.21 0.19 28412 66 0 0.68 27 3.06 3.20 3.36 1.000 6_0007 12 0.05 -0.14 0.17 0.19 0.17 0.76 29285 56 0 0.69 26 2.96 3.17 3.17 1.000 7_0008 9 0.11 -0.03 0.00 0.37 0.08 0.18 7527.1 29 11 0.60 26 2.87 3.12 3.11 1.000 8_0009 13 -0.00 -0.09 0.06 0.11 0.16 0.19 63943 97 8 0.75 27 2.85 3.10 3.04 1.000 9_0010 9 0.04 -0.10 -0.13 0.22 0.14 0.25 16990 48 0 0.65 28 2.81 3.06 3.04 1.000 10_0011 8 0.01 -0.08 -0.00 0.21 0.14 0.10 46914 72 0 0.72 26 2.81 3.04 3.04 1.000 11_0012 9 0.03 -0.08 -0.05 0.09 0.14 0.08 114837 133 0 0.74 32 2.80 3.13 2.93 1.000 12_0013 15 0.09 -0.15 -0.10 0.26 0.30 0.24 26441 50 0 0.62 25 2.76 3.07 3.05 1.000 13_0014 8 0.03 -0.05 0.08 0.10 0.10 0.16 114495 117 0 0.79 28 2.75 3.05 3.01 1.000 14_0015 14 0.19 -0.23 0.02 0.81 0.30 0.21 27844 50 7 0.70 27 2.76 3.09 3.05 1.000 15_0016 7 0.02 -0.08 0.08 0.17 0.17 0.23 2305.6 15 29 0.64 25 2.73 3.06 3.05 1.000 16_0017 12 0.02 -0.15 0.05 0.16 0.22 0.29 29866 61 0 0.77 28 2.74 3.08 3.05 1.000 17_0018 7 -0.08 -0.01 -0.00 0.11 0.06 0.09 53093 93 0 0.66 27 2.76 3.10 3.00 1.000 18_0019 9 0.14 -0.04 -0.08 0.22 0.10 0.18 47520 85 0 0.72 26 2.77 3.11 2.98 1.000 19_0020 12 -0.04 -0.10 -0.02 0.26 0.16 0.17 56420 75 0 0.71 27 2.77 3.12 2.96 1.000 Background pixels updated = 97.41% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.06 -0.08 -0.01 0.21 0.12 0.15 14544 46 0 0.67 25 2.78 3.11 2.97 1.000 21_0022 10 -0.03 -0.15 0.08 0.20 0.24 0.24 45521 74 0 0.69 26 2.78 3.10 2.95 1.000 22_0023 6 -0.15 -0.14 0.16 0.29 0.23 0.26 31822 62 0 0.65 24 2.77 3.09 2.94 1.000 23_0024 9 -0.07 -0.04 0.06 0.20 0.19 0.27 84306 100 0 0.81 27 2.76 3.08 2.98 1.000 24_0025 9 0.02 -0.01 0.09 0.09 0.09 0.24 33576 67 0 0.72 27 2.75 3.07 3.01 1.000 25_0026 10 -0.18 0.00 -0.01 0.74 0.19 0.11 27975 54 10 0.69 28 2.74 3.07 2.98 1.000 I/Sigma = 64.91 Thresh = 0.020 Blend = F #Contributing = 44 InitialProfileWt = 0.079 Region 1 Sum = 20324.3; Maximum = 239.106; FM = 0.618 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 0 0 6 16 12 9 5 2 1 1 0 0 0 0 0 0 0 0 0 0 2 5 4 3 2 1 1 1 0 16 40 32 23 12 6 4 2 1 0 0 0 0 0 0 0 0 0 2 6 4 3 2 1 1 1 0 18 48 42 30 16 8 4 2 1 0 1 1 0 0 0 0 0 0 2 6 5 3 2 1 1 1 0 16 42 38 28 15 8 3 2 1 0 0 1 0 0 0 0 0 0 3 7 6 4 2 1 1 1 0 20 51 54 40 21 11 5 3 1 0 0 0 0 0 0 0 0 0 1 4 3 2 1 1 1 1 0 9 28 28 21 12 6 3 2 1 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 1 0 11 28 29 23 12 6 3 2 1 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 0 4 11 13 11 7 4 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 6 7 6 2 2 1 1 0 !Region 1: Section 4->6 11 29 26 22 14 7 5 3 1 5 15 19 22 21 15 11 10 3 1 2 7 13 18 16 14 15 4 30 73 65 54 34 20 11 6 2 18 47 54 59 52 41 30 20 5 5 14 24 36 45 47 45 34 8 32 86 82 68 45 28 17 10 3 17 48 56 64 65 57 44 31 9 3 11 18 34 50 59 59 47 12 27 71 69 59 39 24 14 8 3 15 39 46 54 53 48 41 31 8 3 8 15 29 44 56 61 52 12 31 84100 89 60 37 21 11 3 15 44 64 77 75 64 49 33 10 3 9 18 34 48 59 67 54 14 15 47 53 45 33 22 15 9 3 8 24 33 37 44 47 43 31 10 1 4 9 17 33 50 58 49 13 18 46 53 46 30 18 10 7 2 8 23 32 35 35 32 26 19 6 1 4 8 15 25 34 38 35 8 6 20 25 25 20 14 9 6 2 4 12 18 24 28 27 22 17 5 1 4 6 12 21 26 30 29 7 3 10 12 11 6 3 3 2 1 2 5 7 7 6 6 8 8 1 0 1 2 3 6 10 17 18 2 !Region 1: Section 7->9 0 1 2 5 7 8 7 9 2 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 1 3 5 11 17 22 25 20 4 0 1 1 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 1 3 5 10 17 25 33 28 6 0 1 1 1 2 4 6 5 1 0 0 0 0 0 0 0 0 0 1 2 4 9 16 26 34 31 6 0 0 1 1 1 3 4 4 1 0 0 0 0 0 0 0 0 0 1 2 4 8 15 26 42 37 8 0 0 1 1 2 4 9 8 2 0 0 0 0 0 0 0 0 0 1 1 2 5 11 20 30 30 6 0 0 0 1 1 2 4 5 1 0 0 0 0 0 0 0 0 0 1 1 2 5 10 16 25 27 5 0 0 1 1 1 2 6 6 1 0 0 0 0 0 0 1 1 0 0 1 2 4 7 11 18 22 5 0 0 0 1 1 2 4 6 1 0 0 0 0 0 0 1 1 0 0 1 1 1 3 7 12 14 1 0 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 254.04 Thresh = 0.020 Blend = F #Contributing = 65 InitialProfileWt = 0.041 Region 2 Sum = 321370; Maximum = 5250.01; FM = 0.918 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 5 10 13 10 5 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 2 1 0 0 2 7 14 22 21 11 3 1 0 0 0 1 1 0 0 0 0 0 1 3 5 5 5 3 1 0 0 2 9 18 28 32 21 7 1 0 0 0 1 1 0 0 0 0 0 0 3 5 6 5 3 1 0 0 2 9 21 31 34 25 11 2 0 0 0 1 1 0 0 0 0 0 0 3 5 6 5 3 1 0 0 1 7 17 27 31 24 11 2 0 0 0 1 0 0 0 0 0 0 0 2 3 4 3 1 1 0 0 1 5 13 22 25 16 6 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 2 7 12 13 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 4 2 1 0 0 !Region 2: Section 4->6 1 2 5 7 6 3 1 0 0 0 2 4 7 7 4 1 0 0 0 1 1 3 4 3 1 1 0 2 10 23 34 31 15 4 1 0 2 8 19 31 33 17 5 2 0 0 2 5 11 15 13 7 2 0 2 13 30 53 58 33 9 2 0 2 10 26 50 60 37 12 3 1 0 2 8 21 30 26 13 4 1 3 17 42 75 92 64 25 5 1 2 14 39 74 93 70 29 7 1 1 4 13 33 44 40 22 8 1 3 19 51 85 99 77 37 7 1 2 16 47 83100 83 43 10 1 1 4 16 37 51 49 29 10 2 2 14 42 75 90 74 37 7 1 1 12 41 76 93 80 42 9 1 0 4 15 33 46 44 26 9 1 1 9 31 62 77 55 22 4 1 1 7 29 61 78 59 26 6 1 0 2 9 23 36 32 17 6 1 1 4 16 35 44 24 8 2 0 1 3 14 33 46 29 11 3 1 0 1 4 12 21 19 10 4 1 0 1 4 11 15 8 3 1 0 0 1 4 11 16 9 4 1 0 0 0 1 4 6 5 3 1 0 !Region 2: Section 7->9 0 0 0 1 2 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 10 6 2 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 15 19 12 4 1 0 0 1 2 5 7 5 2 0 0 0 0 0 0 1 1 0 0 0 1 4 16 23 24 17 7 1 0 0 1 5 8 8 6 3 0 0 0 0 0 1 1 1 0 0 0 1 5 19 28 29 19 9 2 0 0 1 5 8 9 7 3 1 0 0 0 0 1 1 1 0 0 0 1 4 14 25 25 16 8 1 0 0 1 4 7 8 5 3 1 0 0 0 0 0 0 0 0 0 0 1 2 8 17 18 11 5 1 0 0 0 2 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 11 7 4 1 0 0 0 1 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 133.84 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.103 Region 3 Sum = 95832.4; Maximum = 1653.94; FM = 0.9 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 2 3 5 6 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 1 0 0 1 3 7 13 16 15 6 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 2 0 0 1 3 8 15 21 21 9 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 1 0 0 1 4 9 17 22 21 9 2 0 0 0 0 0 0 0 0 0 0 0 2 3 3 3 2 1 0 0 1 5 10 17 19 17 7 2 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 1 0 0 0 1 5 9 13 13 10 4 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 1 0 0 0 1 5 8 10 8 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 6 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 !Region 3: Section 4->6 1 3 8 14 17 12 4 1 0 0 2 6 13 19 13 5 1 0 0 1 2 5 8 6 3 1 0 1 5 15 34 47 40 14 3 0 1 5 14 37 54 45 17 4 0 0 2 6 16 26 23 11 3 1 1 5 18 45 65 59 22 5 0 1 4 19 54 81 69 26 6 1 0 2 9 27 44 38 17 6 1 1 6 22 52 73 69 27 6 1 1 6 26 68 98 88 34 8 1 0 3 14 40 60 50 22 7 1 1 8 25 53 70 66 26 6 1 1 7 33 74100 93 38 10 1 0 4 20 50 68 59 26 8 1 1 9 24 45 54 46 19 5 1 1 9 34 68 84 74 33 10 2 1 5 24 52 63 53 27 10 2 1 9 21 35 37 29 11 3 0 1 9 30 56 63 53 23 8 1 1 6 25 47 51 43 22 9 2 1 6 15 22 21 15 6 2 0 1 7 22 38 39 31 14 5 1 0 5 20 35 34 28 15 6 1 0 1 5 8 7 5 2 1 0 0 1 8 13 13 11 4 3 1 0 1 7 13 12 11 5 3 1 !Region 3: 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 3 5 6 4 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 11 11 7 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 11 18 15 8 3 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 18 24 18 9 3 1 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 9 22 24 18 10 4 1 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 11 21 21 15 8 4 1 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 10 17 14 11 6 3 1 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 6 5 4 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 62.59 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 4 Sum = 17691.4; Maximum = 213.051; FM = 0.671 !Region 4: Section 1->3 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 0 1 7 8 7 4 2 1 1 0 0 0 0 0 0 0 0 1 0 0 2 2 1 1 1 1 1 0 5 20 20 15 10 5 2 2 0 0 0 0 0 0 0 1 1 0 0 2 2 1 1 1 1 1 0 5 20 21 18 14 7 3 2 1 0 1 0 0 0 0 0 0 0 0 2 2 2 1 1 1 1 0 4 17 19 16 14 9 4 2 1 0 0 0 0 1 1 0 0 0 0 2 1 1 2 1 1 1 0 3 13 15 14 12 9 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 9 11 10 9 9 5 3 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 5 8 8 7 6 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 4 5 5 5 5 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 2 2 2 2 1 0 !Region 4: Section 4->6 4 26 34 35 24 9 4 2 0 4 30 38 44 32 16 7 5 1 1 10 13 17 18 18 14 10 2 14 68 85 72 50 27 10 4 1 12 67 99 89 66 43 22 10 2 3 19 35 36 37 43 39 22 4 13 65 86 82 65 38 15 6 1 11 61 97100 85 59 31 15 3 3 18 33 40 43 53 49 30 6 9 49 75 76 70 47 21 8 2 7 43 83 93 92 69 40 21 4 2 12 28 36 44 54 56 41 8 6 35 57 63 63 50 28 10 2 5 30 61 78 84 73 48 24 5 1 8 20 30 39 50 57 46 10 4 22 41 47 49 46 30 13 2 3 19 42 57 65 66 49 27 5 1 5 13 22 29 42 53 45 9 3 15 28 33 35 34 24 13 2 2 13 28 38 46 49 40 26 5 1 4 9 14 20 30 40 38 8 2 10 19 21 24 24 21 11 2 2 9 20 24 31 34 30 21 4 0 3 7 9 14 20 28 26 6 1 4 8 9 8 7 9 4 0 1 4 8 10 11 10 13 6 1 0 1 3 4 5 6 11 9 2 !Region 4: Section 7->9 0 1 2 3 7 13 13 8 2 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 2 4 7 15 31 34 20 4 0 1 1 2 3 7 9 5 1 0 0 0 0 0 0 0 0 0 1 3 4 7 15 34 40 27 5 0 2 2 2 4 9 10 7 2 0 1 1 0 1 1 0 1 0 0 2 4 6 14 31 45 36 7 0 1 1 2 4 8 11 9 2 0 1 0 1 1 1 0 0 0 0 2 3 5 11 26 44 40 8 0 1 1 2 3 6 11 10 2 0 0 1 0 1 0 0 0 0 0 1 2 5 7 20 40 39 8 0 1 1 2 2 5 10 11 2 0 0 0 1 0 0 0 1 0 0 1 2 4 5 15 30 33 7 0 0 1 2 2 4 8 9 2 0 0 0 1 1 1 0 0 0 0 1 2 2 4 9 21 22 5 0 0 1 1 1 2 6 6 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 8 8 1 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 25.18 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 1840.03; Maximum = 28.7613; FM = 0.517 !Region 5: Section 1->3 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 8 9 5 9 7 1 1 0 0 0 0 1 1 1 1 0 0 0 1 0 2 2 1 1 1 0 3 22 16 20 20 11 4 4 1 0 0 1 1 0 1 3 0 0 0 1 1 1 2 1 4 0 0 4 30 22 24 23 15 10 3 0 0 2 1 2 1 0 2 0 0 1 3 1 3 3 -1 4 -1 0 5 38 28 24 24 19 16 4 0 1 2 0 0 0 1 2 -1 0 1 2 -1 0 1 0 3 -1 0 4 31 25 18 19 18 18 5 1 0 0 -1 1 2 3 1 -1 0 1 0 -2 0 2 4 0 -2 0 3 25 23 13 15 15 9 5 1 0 -1 0 0 1 1 0 -1 0 0 -3 0 -1 2 2 -1 -2 0 2 13 16 10 12 12 10 4 0 0 0 0 1 -1 0 0 0 0 1 1 1 2 -1 2 -1 0 0 2 11 11 8 8 9 7 3 0 0 0 -1 0 0 1 0 0 0 0 0 0 1 0 3 1 0 0 0 5 6 4 7 5 2 2 0 !Region 5: Section 4->6 2 22 25 14 25 19 2 3 1 1 14 17 10 17 15 2 2 1 0 2 2 4 8 10 9 10 2 7 57 46 54 54 31 13 8 1 5 38 31 39 39 25 12 7 1 1 4 6 13 17 23 26 20 4 10 80 62 68 61 41 23 9 1 7 54 42 47 43 32 19 7 1 0 5 7 10 15 26 28 18 3 13100 76 63 61 55 39 13 1 9 66 50 41 42 42 31 12 1 0 2 2 4 10 28 30 26 5 10 83 70 50 52 49 46 17 2 6 54 46 33 36 36 35 16 2 0 0 4 7 10 19 29 30 5 8 69 66 38 39 38 26 17 2 5 45 43 26 27 27 22 15 2 0 2 5 5 6 11 22 23 4 5 40 43 30 32 31 30 14 2 3 26 28 19 21 21 22 12 1 0 2 3 -1 3 6 11 16 2 4 29 28 19 24 20 20 10 1 2 18 18 12 16 14 14 8 1 0 -2 -1 -1 3 3 9 12 2 1 14 16 9 20 7 5 5 1 0 9 10 6 13 5 4 3 0 0 -1 0 0 1 1 2 4 1 !Region 5: Section 7->9 0 2 1 4 9 9 12 14 2 0 1 0 2 4 1 3 4 1 0 0 0 2 2 -1 0 0 0 1 4 5 12 17 24 33 26 6 0 1 2 5 6 7 10 9 2 0 0 1 2 2 1 0 1 0 0 4 5 8 14 24 32 25 5 1 3 2 2 4 5 9 8 2 1 2 1 0 1 0 0 0 0 0 0 0 5 10 26 31 32 6 0 0 -1 2 3 6 8 9 2 0 0 -1 0 0 1 1 0 0 0 -1 3 9 10 20 30 35 7 0 -1 0 3 2 6 8 11 3 0 -1 -1 0 0 1 1 1 0 0 1 5 5 7 11 22 26 6 0 -1 2 0 2 2 5 8 2 0 -1 0 -1 0 -1 0 1 0 0 3 3 -1 4 6 11 18 4 0 0 1 0 3 1 1 6 1 0 -1 0 0 2 -1 -1 1 0 0 -2 -1 0 4 4 10 16 3 0 0 2 2 3 0 3 5 1 0 0 2 1 1 -1 0 0 0 0 -1 -1 -1 1 1 3 7 2 0 0 2 0 2 0 1 2 1 0 1 2 0 2 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.01721; Maximum = 0.0102209; FM = 0.63 !Region 6: Section 1->3 0 0 1 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 3 14 14 9 10 7 1 1 0 0 1 0 1 1 1 1 0 0 2 7 5 5 4 2 1 1 0 7 33 29 27 23 12 5 3 0 0 1 1 1 0 1 2 0 0 1 7 6 5 3 2 4 0 0 7 40 36 32 25 15 9 3 0 0 2 1 2 1 0 2 0 0 1 8 6 5 4 1 4 1 0 7 43 38 29 24 18 15 5 0 0 1 0 0 1 1 2 0 0 1 6 4 2 3 1 4 1 0 7 38 35 25 21 16 16 7 1 0 0 -1 0 1 2 1 0 0 1 3 2 1 3 3 1 0 0 5 29 28 17 14 13 9 5 1 0 -1 0 0 1 1 0 0 0 1 0 2 0 2 2 0 -1 0 4 18 20 13 12 10 9 4 1 0 0 0 0 0 1 0 0 0 1 1 2 1 0 1 0 1 0 2 10 12 8 7 7 6 4 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 1 0 0 4 5 4 6 4 2 2 0 !Region 6: Section 4->6 5 29 34 26 30 24 8 3 1 3 22 33 31 36 34 18 8 1 1 6 12 16 22 25 21 14 2 12 70 67 73 68 45 25 14 2 8 55 64 80 84 72 53 31 4 2 15 24 38 50 60 60 40 6 14 89 84 86 76 55 34 18 2 9 68 76 89 92 83 62 38 5 2 16 26 37 51 65 64 45 7 15100 94 82 72 60 45 22 3 11 76 86 87 86 79 66 42 5 2 14 25 34 44 60 62 49 7 13 88 92 73 63 54 47 22 3 9 68 84 78 75 69 62 37 5 2 13 26 34 40 50 55 46 7 9 72 77 52 45 40 29 19 3 7 60 72 58 52 51 43 30 5 1 14 23 26 28 36 41 36 6 7 48 54 39 34 31 28 14 2 5 42 51 40 38 37 33 19 3 1 11 17 15 20 24 26 25 4 4 28 32 24 25 20 18 10 2 3 24 30 25 28 25 22 13 2 0 5 9 10 14 16 20 19 3 1 11 15 10 16 8 6 5 1 1 8 13 11 15 9 8 6 1 0 1 3 4 5 7 9 9 1 !Region 6: Section 7->9 0 2 2 5 10 12 13 12 2 0 1 0 2 3 2 3 3 1 0 0 0 1 1 0 0 0 0 1 5 7 13 20 30 37 28 5 0 2 3 5 5 7 9 7 2 0 0 1 2 1 1 0 1 0 0 4 6 10 19 31 38 30 5 1 2 2 2 5 6 8 8 2 0 1 1 0 1 0 0 0 0 1 3 3 8 15 30 37 34 6 0 1 0 2 4 6 8 8 2 0 0 0 0 1 1 1 0 0 0 1 5 10 14 25 35 36 7 0 0 0 3 3 6 8 10 2 0 0 -1 0 0 1 1 1 0 0 2 6 7 10 16 26 29 6 0 0 2 1 3 2 5 9 2 0 -1 0 -1 1 0 0 1 0 0 3 4 2 8 11 17 23 4 0 1 1 1 3 2 3 8 1 0 0 0 1 1 -1 -1 1 0 0 -1 1 3 6 8 15 20 3 0 0 2 2 2 2 5 7 1 0 0 2 1 1 -1 0 0 0 0 0 0 0 2 4 6 9 2 0 0 1 0 2 1 2 3 1 0 0 1 0 1 0 0 0 0 I/Sigma = 32.73 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 7 Sum = 5691.08; Maximum = 69.8876; FM = 0.641 !Region 7: Section 1->3 0 1 0 0 0 0 0 0 0 1 5 4 3 2 1 0 0 0 3 12 11 9 6 3 1 0 0 0 1 1 0 0 0 0 0 0 2 10 9 6 5 2 1 0 0 4 24 24 19 14 7 2 0 0 0 1 0 0 0 0 0 0 0 2 10 10 7 3 2 1 1 0 4 24 28 20 12 7 4 2 0 0 1 0 0 0 1 0 0 0 1 9 9 5 3 3 3 2 0 3 23 26 16 10 8 6 4 0 0 0 1 0 0 0 1 1 0 1 7 7 3 3 1 3 4 1 2 18 20 12 8 5 5 5 1 0 0 0 0 0 0 0 1 0 1 5 5 2 2 1 2 3 0 2 14 16 8 5 3 4 3 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 1 1 0 2 9 9 5 3 2 3 2 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 1 1 0 0 2 5 3 2 0 2 2 0 0 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 0 !Region 7: Section 4->6 3 18 25 24 21 18 10 2 0 2 19 36 39 40 41 28 9 0 1 9 18 21 26 29 24 10 1 5 39 50 54 50 40 28 14 2 4 43 65 85 94 92 76 43 4 2 19 32 45 60 70 65 41 4 5 40 56 56 53 43 31 20 3 4 45 73 88100 98 80 54 6 2 20 34 47 62 73 68 49 5 4 41 61 56 47 36 30 23 3 5 49 84 95 92 80 72 55 6 2 22 39 50 57 61 60 44 5 4 37 55 48 36 28 25 17 2 4 47 81 82 73 65 59 40 4 2 22 39 45 48 52 48 33 3 3 34 47 37 24 20 18 12 1 3 48 71 66 51 48 41 28 3 2 22 35 37 35 39 33 24 3 2 26 31 22 16 13 11 6 1 3 39 50 41 35 32 26 16 2 1 18 26 25 27 27 23 17 2 1 11 17 13 11 8 6 4 0 1 19 28 25 24 21 17 9 1 1 10 16 17 17 18 17 12 1 0 1 5 5 4 4 3 3 0 0 2 9 11 10 10 8 5 1 0 2 5 7 8 8 9 6 1 !Region 7: Section 7->9 0 1 2 3 5 8 8 3 0 0 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 5 6 12 19 21 13 1 0 2 2 2 1 3 3 1 0 0 1 1 1 0 0 1 0 0 0 2 4 6 14 20 21 17 2 0 1 1 1 3 4 2 2 0 0 0 0 0 1 1 0 0 0 1 4 3 6 11 16 19 15 1 1 2 1 1 3 3 3 2 0 0 0 0 0 1 1 0 0 0 1 3 4 6 10 15 15 12 1 0 1 1 1 2 2 3 3 0 0 0 0 0 1 1 0 0 0 1 3 4 5 8 11 11 13 1 0 1 2 0 2 1 2 5 1 0 0 0 0 1 0 0 0 0 0 1 4 4 7 9 10 13 1 0 1 1 1 1 2 3 6 1 0 1 0 0 0 0 0 0 0 0 1 2 4 4 8 10 11 1 0 0 1 1 1 2 4 5 0 0 0 1 1 0 0 0 0 0 0 0 0 1 3 3 5 5 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 42.33 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 8 Sum = 10626.1; Maximum = 105.138; FM = 0.64 !Region 8: Section 1->3 0 0 1 0 0 0 0 0 0 1 4 2 0 0 1 0 0 0 4 16 11 9 6 4 2 0 0 0 1 1 1 1 1 1 1 0 1 6 3 2 2 1 1 0 0 7 30 23 20 14 10 5 1 0 0 1 0 1 1 0 0 0 0 1 5 2 2 2 2 1 0 0 7 33 29 22 17 13 6 2 0 0 0 0 0 0 0 0 0 0 1 4 2 1 1 0 0 1 1 7 36 33 26 20 11 5 3 1 1 0 0 0 0 -1 0 0 0 1 4 3 1 0 0 1 1 1 8 41 35 26 19 10 5 3 1 0 1 0 0 -1 0 0 0 0 1 4 3 1 0 1 1 0 0 8 41 34 24 16 7 2 1 0 0 0 0 0 -1 1 2 0 0 1 3 3 1 0 1 2 1 0 6 30 27 20 11 4 3 2 0 0 0 0 0 0 1 2 1 0 0 1 2 0 0 1 3 1 0 3 17 18 13 6 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 2 5 4 2 2 1 0 0 !Region 8: Section 4->6 5 29 29 26 22 19 11 8 2 3 22 30 24 34 35 28 23 5 0 7 12 9 23 28 32 22 4 12 60 66 67 55 45 28 14 3 8 42 65 79 80 81 73 43 10 2 10 25 36 47 69 85 58 13 13 73 82 75 66 52 30 14 3 9 51 78 89 94 90 73 45 12 2 12 28 40 53 73 89 65 17 14 82 95 86 72 48 26 13 3 9 59 90 98 99 86 63 39 10 2 15 30 41 56 71 74 55 15 15 91100 86 67 42 20 9 3 10 63 93 97 87 71 47 27 7 3 14 30 40 49 59 57 41 12 16 94 93 76 54 29 12 6 2 11 64 86 82 68 50 32 19 5 3 12 27 34 38 41 40 30 10 13 73 73 59 37 17 9 6 1 9 51 68 61 46 31 22 15 4 2 10 22 25 27 29 29 24 8 7 44 50 39 21 11 7 4 1 5 33 46 42 28 21 17 11 4 2 7 15 18 19 23 24 20 8 1 7 16 13 7 3 2 1 0 1 8 19 14 11 7 7 5 2 0 3 8 7 9 9 13 8 4 !Region 8: Section 7->9 0 1 1 2 7 11 16 10 2 0 0 0 -1 1 2 2 2 1 0 0 0 0 0 0 1 1 0 0 1 3 5 11 27 42 31 8 0 -1 0 0 1 3 5 4 2 0 -1 0 0 0 1 1 1 0 0 1 3 5 11 27 44 36 11 0 0 0 0 1 3 4 4 2 0 0 0 0 1 1 0 0 0 1 3 3 6 13 26 38 33 11 0 0 1 1 2 2 5 5 3 0 0 1 1 0 0 1 1 1 1 3 3 5 12 22 30 26 10 1 2 2 1 1 2 4 5 4 0 1 1 1 0 0 1 1 1 1 1 2 5 10 16 22 20 9 0 1 1 2 2 3 4 5 4 0 0 0 1 1 1 1 2 1 1 1 2 4 8 13 17 17 8 0 0 1 2 1 2 3 4 4 0 0 0 1 1 1 1 1 1 0 1 2 4 7 11 15 16 9 0 0 0 3 1 2 3 6 5 0 0 0 1 1 0 1 2 1 0 0 1 2 4 5 9 7 5 0 0 0 1 2 1 1 3 3 0 0 0 0 1 0 0 1 1 I/Sigma = 166.20 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.090 Region 9 Sum = 134577; Maximum = 2234.43; FM = 0.896 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 4 4 3 3 2 1 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 2 7 7 6 5 4 1 1 0 0 1 1 0 0 0 0 0 0 2 5 4 3 1 1 0 0 0 3 10 11 11 10 6 3 1 0 0 1 1 1 0 0 0 0 0 2 7 6 5 3 1 0 0 0 3 12 15 15 14 10 4 1 0 0 1 1 1 0 0 0 0 0 2 7 7 6 4 2 1 0 0 3 13 16 17 16 12 5 1 0 0 1 1 1 0 0 0 0 0 2 6 7 6 4 2 1 0 0 3 11 14 14 14 10 5 1 0 0 1 1 1 0 0 0 0 0 1 4 5 4 3 2 1 0 0 2 8 10 11 10 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 3 4 4 4 2 1 0 0 !Region 9: Section 4->6 0 3 6 6 4 2 1 1 0 0 5 9 11 9 6 4 2 0 0 2 5 7 7 6 5 3 1 2 10 19 22 20 14 7 2 0 2 14 27 35 36 29 16 6 1 1 7 14 20 25 25 18 9 2 3 15 27 34 38 26 12 4 1 3 19 37 51 62 49 28 10 2 1 9 19 29 39 39 29 14 3 4 20 36 49 59 42 19 5 1 4 22 46 69 87 69 37 12 2 1 9 23 38 51 49 35 17 3 4 23 41 58 70 55 26 7 1 3 24 50 79100 83 44 13 2 1 9 21 41 55 51 34 16 3 3 19 38 57 73 60 29 6 1 2 18 43 73100 83 41 11 1 1 6 16 34 50 44 26 13 3 2 13 29 45 56 45 20 5 1 1 11 32 54 73 57 27 8 1 1 4 11 21 32 26 16 9 2 2 8 19 29 34 24 9 2 0 1 6 19 34 43 29 13 4 1 0 2 7 13 17 13 8 5 1 1 3 7 12 11 7 2 1 0 0 2 7 13 12 8 4 2 0 0 1 3 4 4 4 3 2 0 !Region 9: Section 7->9 0 0 1 2 2 4 4 4 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 1 1 0 0 1 2 5 9 13 14 10 3 0 0 0 1 3 5 7 7 2 0 0 0 0 1 1 2 2 1 0 2 4 8 14 19 21 16 4 0 0 0 1 4 8 10 10 3 0 0 0 0 1 2 2 2 1 0 2 5 10 17 23 24 19 5 0 0 0 1 4 8 11 11 3 0 0 0 0 1 2 2 2 1 0 1 4 10 16 21 21 18 4 0 0 0 1 3 6 9 10 3 0 0 0 0 1 1 1 2 0 0 1 2 6 12 14 15 14 3 0 0 0 1 1 4 6 7 2 0 0 0 0 0 1 1 1 0 0 0 1 3 5 7 8 10 2 0 0 0 0 1 2 3 6 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 3 4 5 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (207 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) 207 0 207 4.4140 0.8647 20.117 126.135 Orientation ('UB') matrix: 0.1440959 0.0357133 -0.0038099 0.0298151 -0.0026956 0.0771795 0.0657183 -0.0770831 -0.0044641 A B C Alpha Beta Gamma Vol 6.2480 11.7651 13.0088 90.000 96.716 90.000 949.69 0.0002 0.0012 0.0010 0.000 0.003 0.000 0.15 Corrected for goodness of fit: 0.0006 0.0029 0.0024 0.000 0.007 0.000 0.38 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.959 96.090 24.211 Goniometer zeros (deg): 0.0000* 0.1534 0.0000* 0.0163 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8339 -0.9845 0.0721 -0.3310 -0.2294 0.8366 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.08179e+03 3.62297e+03 2.52 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 171 Average input ESD (pix, pix, deg): 0.15006 0.12540 0.05307 Goodness of fit: 2.87652 2.17784 2.33004 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 1.086 1.230 2.260 Average missing volume: 0.056 % with too much missing I: 4.710 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 4. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:40 Current XYZ spot size: 1.086 1.230 2.260 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): 0.152 0.142 0.326 Profile convolver halfwidth: 1.00 1.00 1.80 Background pixels updated = 96.66% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.94 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.94 1.000 2_0003 2 0.03 -0.05 -0.10 0.05 0.06 0.11 16852 55 0 0.73 24 2.78 3.83 2.94 1.000 3_0004 6 0.48 -0.10 -0.04 0.81 0.38 0.26 101149 109 0 0.48 26 2.47 3.26 2.82 1.000 4_0005 11 -0.02 -0.06 -0.02 0.16 0.09 0.09 37832 74 0 0.75 27 2.52 3.55 2.76 1.000 5_0006 11 0.06 -0.07 0.05 0.12 0.12 0.18 34824 73 0 0.69 27 2.63 3.72 2.68 1.000 6_0007 12 -0.03 -0.08 0.03 0.15 0.16 0.29 34089 60 0 0.72 27 2.54 3.70 2.53 1.000 7_0008 9 0.18 -0.01 -0.01 0.54 0.11 0.16 10630 34 11 0.63 26 2.45 3.62 2.52 1.000 8_0009 13 0.01 -0.04 0.05 0.13 0.08 0.16 70542 102 8 0.78 27 2.43 3.60 2.47 1.000 9_0010 9 0.03 -0.06 -0.11 0.19 0.12 0.21 19288 51 0 0.67 28 2.38 3.53 2.43 1.000 10_0011 8 0.02 -0.08 0.02 0.14 0.13 0.09 52220 79 0 0.75 27 2.38 3.49 2.43 1.000 11_0012 10 0.03 -0.03 -0.05 0.11 0.08 0.08 112614 127 0 0.73 32 2.39 3.56 2.37 1.000 12_0013 14 0.10 -0.13 -0.05 0.25 0.29 0.14 31124 57 0 0.67 26 2.36 3.49 2.46 1.000 13_0014 9 0.04 -0.05 0.08 0.08 0.07 0.20 107207 111 0 0.81 28 2.35 3.47 2.43 1.000 14_0015 12 0.20 -0.15 0.05 0.77 0.27 0.28 35969 58 8 0.72 27 2.38 3.51 2.50 1.000 15_0016 8 -0.04 -0.11 0.08 0.32 0.24 0.21 4322.5 20 25 0.69 26 2.36 3.47 2.51 1.000 16_0017 12 0.02 -0.14 0.00 0.14 0.20 0.15 34837 67 0 0.78 28 2.35 3.49 2.50 1.000 17_0018 7 -0.07 0.00 0.01 0.10 0.05 0.08 62952 101 0 0.69 27 2.37 3.51 2.46 1.000 18_0019 9 0.14 -0.06 -0.06 0.21 0.11 0.13 52719 90 0 0.74 27 2.39 3.52 2.45 1.000 19_0020 12 -0.01 -0.06 -0.04 0.15 0.10 0.15 63937 81 0 0.74 27 2.38 3.55 2.45 1.000 Background pixels updated = 97.13% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.07 -0.11 0.02 0.10 0.16 0.08 17945 52 0 0.70 26 2.39 3.55 2.45 1.000 21_0022 10 0.01 -0.11 0.07 0.17 0.15 0.19 50519 79 0 0.72 26 2.40 3.55 2.44 1.000 22_0023 6 -0.09 -0.09 0.14 0.20 0.20 0.29 36450 67 0 0.70 24 2.40 3.53 2.42 1.000 23_0024 9 -0.03 -0.05 0.03 0.11 0.17 0.20 90989 106 0 0.83 27 2.39 3.51 2.42 1.000 24_0025 9 0.02 -0.04 0.06 0.12 0.14 0.18 40229 74 0 0.74 28 2.39 3.50 2.44 1.000 I/Sigma = 75.50 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.069 Region 1 Sum = 29533.5; Maximum = 406.345; FM = 0.735 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 3 5 5 4 2 1 1 1 0 0 0 1 0 0 0 0 0 0 2 4 3 2 1 1 1 1 0 10 25 21 14 7 3 2 1 0 0 1 0 0 0 1 0 0 0 2 6 4 3 1 1 1 1 0 14 40 36 24 12 5 3 2 1 0 1 0 0 0 1 0 0 0 2 7 6 4 2 1 1 1 0 15 48 53 38 20 8 3 2 1 0 1 1 1 0 1 0 1 0 2 6 7 5 2 1 1 1 0 12 42 54 44 24 10 4 2 1 0 0 0 0 0 0 0 0 0 1 4 5 4 2 1 1 1 0 7 28 39 35 19 8 3 2 1 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 3 13 20 19 11 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 5 8 8 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 !Region 1: Section 4->6 4 10 10 9 6 3 2 1 0 2 7 10 11 10 6 4 2 0 1 3 5 8 10 9 6 2 0 16 44 41 30 18 9 5 3 1 8 25 32 31 28 19 13 6 1 2 6 12 19 27 26 20 9 2 23 69 72 53 34 16 8 4 1 12 38 50 50 50 35 24 11 2 2 7 16 28 44 45 39 20 4 24 80100 82 54 26 12 6 2 11 41 63 68 72 54 39 20 4 2 7 17 31 56 64 61 35 7 18 69100 93 63 34 15 7 2 8 34 60 71 77 64 47 25 6 1 5 14 28 54 71 74 45 11 11 46 73 71 50 28 13 6 2 5 22 42 53 59 52 39 22 6 1 4 9 19 40 57 61 41 11 5 22 38 40 28 17 9 5 1 2 11 23 30 35 31 25 15 4 1 2 6 11 25 35 40 31 10 2 8 15 18 16 10 6 3 1 1 5 11 16 21 19 15 10 3 0 2 4 8 16 23 27 23 8 1 2 4 5 5 4 2 1 1 0 1 3 5 7 9 7 5 2 0 1 1 3 6 11 13 11 4 !Region 1: Section 7->9 0 1 1 3 4 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 7 12 15 12 5 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 9 19 25 24 13 3 0 1 1 1 3 4 4 2 1 0 0 0 0 0 0 0 0 0 1 2 4 10 22 35 39 24 5 0 1 1 1 3 5 7 4 1 0 1 0 0 0 0 0 0 0 1 2 3 8 19 37 47 32 7 0 1 1 1 2 6 8 7 2 0 0 0 0 0 0 0 0 0 1 1 2 5 14 29 40 31 9 0 1 0 1 2 5 8 7 2 0 0 0 0 0 0 0 1 0 1 1 2 4 10 19 29 26 8 0 1 1 1 1 4 7 7 2 0 0 0 0 0 0 1 1 0 0 1 1 3 7 14 22 21 7 0 0 0 1 1 3 6 6 2 0 0 0 0 0 1 1 1 0 0 0 0 1 3 6 10 10 4 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 279.80 Thresh = 0.020 Blend = F #Contributing = 61 InitialProfileWt = 0.046 Region 2 Sum = 376321; Maximum = 11435.8; FM = 0.951 !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 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 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 2 6 12 11 4 1 0 0 0 0 0 1 0 0 0 0 0 0 1 3 5 4 2 0 0 0 0 3 11 21 25 12 2 0 0 0 0 1 1 0 0 0 0 0 0 1 4 6 5 3 1 0 0 0 3 12 26 32 20 4 0 0 0 0 0 1 0 0 0 0 0 0 1 3 4 4 2 0 0 0 0 2 8 20 25 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 3 8 11 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 2 2 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 5 10 8 3 1 0 0 0 1 4 9 8 3 1 0 0 0 0 1 3 4 3 1 0 0 0 3 13 28 31 12 2 0 0 0 2 11 26 32 14 3 1 0 0 1 3 9 16 12 4 1 0 0 5 23 55 76 39 7 1 0 0 4 20 55 80 45 9 1 0 0 1 6 23 42 30 10 2 0 0 4 26 70 94 67 15 1 0 0 4 24 72100 75 19 2 0 0 1 8 32 53 44 16 3 0 0 2 17 55 78 50 10 1 0 0 2 16 56 83 57 14 2 0 0 1 5 23 42 34 12 2 0 0 1 6 24 37 18 3 1 0 0 1 5 24 41 23 5 1 0 0 0 2 9 20 15 6 2 0 0 0 1 6 9 5 1 0 0 0 0 1 6 11 7 2 1 0 0 0 0 2 6 6 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 2 1 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 1 2 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 11 4 1 0 0 0 0 1 3 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 1 10 23 22 10 2 0 0 0 0 3 8 8 4 1 0 0 0 0 0 1 1 0 0 0 0 0 2 14 30 27 13 3 0 0 0 0 4 9 9 5 1 0 0 0 0 0 1 1 0 0 0 0 0 1 8 21 19 9 2 0 0 0 0 2 6 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 9 5 2 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 156.52 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.118 Region 3 Sum = 121305; Maximum = 3551.06; FM = 0.947 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 3 6 8 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 1 0 0 0 1 4 11 17 13 3 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 3 1 0 0 0 2 5 15 24 18 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 0 0 0 0 2 6 15 21 14 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 2 6 11 12 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 4 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 3: Section 4->6 0 1 2 4 4 3 1 0 0 0 1 2 4 4 3 1 0 0 0 0 1 1 2 2 1 0 0 0 2 6 15 21 13 3 1 0 0 2 5 14 21 14 4 1 0 0 1 2 5 9 7 3 1 0 0 2 8 28 48 33 7 1 0 0 2 7 30 54 35 8 1 0 0 1 3 12 25 18 6 1 0 0 2 10 41 73 53 12 1 0 0 2 10 49 91 63 15 2 0 0 1 5 26 52 36 10 2 0 0 2 13 46 72 52 13 1 0 0 2 14 61100 72 19 2 0 0 1 8 40 68 46 15 2 0 0 3 13 35 48 30 8 1 0 0 2 15 52 76 51 15 3 0 0 1 11 42 60 40 14 3 0 0 3 10 20 22 12 4 1 0 0 3 12 33 40 25 9 2 0 0 1 9 30 35 24 10 2 0 0 2 6 9 8 4 2 1 0 0 2 7 14 16 10 4 1 0 0 1 5 13 15 11 5 2 0 0 1 2 3 2 1 1 0 0 0 0 2 4 4 3 1 0 0 0 0 1 3 4 3 2 1 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 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 2 6 6 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 15 11 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 14 24 15 5 1 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4 18 23 14 6 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 5 14 15 9 4 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 6 7 5 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 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 I/Sigma = 72.94 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 4 Sum = 25839.9; Maximum = 413.458; FM = 0.776 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 3 13 15 11 6 2 1 1 0 0 0 0 0 0 0 1 1 0 0 1 2 1 1 1 1 1 0 5 20 24 18 9 4 2 2 0 0 0 0 0 0 0 1 1 0 1 2 2 2 1 1 1 1 0 4 20 27 23 16 6 2 2 1 0 1 1 0 0 0 0 1 0 1 2 2 2 2 1 1 1 0 3 13 22 21 17 9 3 2 1 0 0 0 0 1 0 0 1 0 1 1 2 2 2 1 1 1 0 2 7 14 15 13 9 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 8 9 8 7 4 2 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 3 5 5 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 2 2 2 2 1 0 0 !Region 4: Section 4->6 1 9 17 14 7 3 1 1 0 1 10 17 16 9 5 2 1 0 0 3 6 8 8 7 4 1 0 8 40 56 46 24 8 3 2 1 6 36 58 52 32 15 7 3 1 2 10 18 21 23 23 13 6 1 12 56 83 76 42 15 5 3 1 8 46 81 85 54 27 12 5 1 2 11 24 31 33 36 24 10 2 9 51 87 92 68 28 9 3 1 6 38 80100 82 46 21 8 2 1 8 22 36 43 52 37 15 3 6 31 64 79 75 41 14 5 1 4 22 56 85 92 60 31 12 2 1 5 14 29 44 57 52 23 4 3 16 39 53 57 43 19 6 1 2 11 32 55 68 60 36 15 3 1 3 8 19 31 49 53 26 5 1 8 20 30 33 29 17 6 1 1 6 17 30 39 39 30 14 3 0 2 4 10 17 30 39 23 5 1 5 13 18 20 18 12 4 1 1 4 11 18 23 23 19 9 2 0 1 3 6 10 16 21 14 3 1 2 5 7 8 7 4 1 0 0 2 5 7 8 8 6 3 0 0 1 1 2 3 6 6 4 1 !Region 4: Section 7->9 0 1 1 2 5 6 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 13 18 11 5 1 0 1 1 1 3 4 3 1 1 0 0 0 0 0 0 0 0 0 1 2 3 6 15 27 20 8 2 0 1 1 1 3 6 4 2 1 0 0 0 0 0 0 0 0 0 1 2 4 6 17 37 29 12 3 0 1 1 2 4 8 6 3 1 0 1 1 0 1 0 0 0 0 1 2 3 5 14 37 41 18 3 0 1 1 2 4 8 9 4 1 0 1 1 0 1 0 0 0 0 0 1 2 4 9 30 41 21 4 0 1 1 1 2 7 9 5 1 0 0 0 1 0 0 1 1 0 0 1 1 3 5 18 30 18 3 0 0 1 1 1 5 7 4 1 0 0 0 0 0 0 0 1 0 0 0 1 1 3 9 17 11 2 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 25.65 Thresh = 0.020 Blend = F #Contributing = 1 InitialProfileWt = 0.875 Region 5 Sum = 910.935; Maximum = 16.2226; FM = 0.627 !Region 5: Section 1->3 0 0 0 0 1 1 1 -1 0 0 0 0 1 2 2 2 -2 0 0 1 2 2 3 3 0 1 0 0 0 -1 -1 2 3 1 1 0 1 0 -2 -3 6 6 3 3 1 1 9 14 7 10 6 3 5 1 1 1 -1 -4 -1 0 1 2 0 3 3 -3-10 -3 0 1 4 -1 4 20 25 10 8 4 2 3 -1 0 2 3 0 2 -1 1 3 0 1 6 6 1 6 -2 3 7 1 5 31 27 22 18 3 3 3 1 0 1 2 -1 3 0 1 1 0 1 3 5 -2 8 0 2 2 0 4 27 32 17 24 8 4 3 3 0 1 0 -1 1 0 -1 -2 0 0 2 0 -2 4 1 -2 -5 0 2 15 21 11 18 8 3 1 0 0 1 -1 0 1 0 -3 -3 -1 1 2 -3 0 3 1 -7 -7 -1 0 5 11 5 11 8 1 -2 -1 0 2 1 3 0 4 -1 0 0 -1 6 3 7 0 10 -3 -1 -1 0 7 12 9 9 8 3 2 0 0 2 0 0 1 2 0 0 0 0 4 1 1 2 6 -1 0 0 0 3 3 4 2 3 -1 0 0 !Region 5: Section 4->6 0 2 7 5 4 5 -1 4 0 0 1 3 5 6 5 2 4 0 0 0 -1 6 11 6 8 4 1 2 25 39 23 16 6 2 8 1 1 17 22 19 26 19 9 12 2 0 5 -3 14 45 42 22 20 3 7 48 68 41 26 11 4 2 0 4 31 43 32 33 27 13 9 1 1 6 6 22 49 55 29 22 2 13 73 60 57 38 9 2 -1 0 9 46 42 46 44 33 17 7 1 2 8 16 33 59 76 43 21 4 8 67 76 46 50 20 6 7 6 7 45 49 31 43 49 28 15 5 5 13 10 11 37100 67 30 3 4 38 55 30 43 20 10 11 1 3 25 34 22 34 35 35 17 3 3 6 3 12 22 63 80 30 6 0 11 33 14 25 19 13 5 -2 -1 7 19 9 16 20 25 11 1 -1 1 0 1 4 23 45 23 5 0 9 26 13 22 5 13 7 0 -1 3 14 7 15 6 17 6 0 -2 -7 -4 -1 3 8 24 5 1 0 2 7 10 4 0 0 0 0 0 1 4 6 4 3 3 0 0 2 0 -1 1 4 10 9 0 0 !Region 5: Section 7->9 0 0 -1 5 7 4 5 2 1 0 0 -1 3 0 0 0 -2 1 0 0 0 2 0 0 0 -1 0 0 3 -1 11 29 26 13 14 2 1 1 2 4 0 -1 -4 3 0 1 1 2 3 0 -1 -3 2 0 1 3 4 16 34 34 18 17 2 -1 -3 0 7 9 -2 0 9 1 -1 -2 0 5 6 -2 0 6 1 2 5 12 23 40 50 28 15 2 3 2 4 5 6 3 3 6 0 2 1 3 3 4 2 2 4 0 4 9 6 7 24 65 43 19 2 3 3 0 0 3 4 0 1 0 2 2 0 0 2 2 -1 0 0 2 4 1 7 14 41 53 21 4 1 -1 -4 -3 0 2 5 4 1 1 -1 -3 -2 0 1 3 3 1 -1 1 -1 2 4 13 30 17 4 -1 1 -1 3 5 -6 2 6 2 -1 1 -1 2 3 -4 1 4 2 -1 -5 -1 0 4 4 19 6 1 0 -2 5 4 5 -3 9 7 1 0 -1 4 3 3 -2 6 5 0 1 0 -1 1 2 6 6 0 0 0 -1 -2 -1 -2 -1 2 0 0 0 0 -1 -1 -1 -1 1 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.01703; Maximum = 0.0130244; FM = 0.749 !Region 6: Section 1->3 0 0 0 0 1 0 0 0 0 0 2 1 2 2 1 1 -1 0 1 6 6 5 5 3 1 1 0 0 0 0 0 2 2 1 1 0 2 4 3 1 5 5 2 2 0 5 20 22 15 12 7 3 4 1 1 1 0 -2 0 0 1 1 0 3 7 3 -3 0 1 1 3 0 7 30 34 19 13 7 3 3 0 0 2 2 0 2 0 1 2 0 2 9 9 5 6 0 3 4 1 8 37 37 31 21 7 4 3 1 0 1 2 0 2 0 1 1 0 1 5 8 3 7 1 3 2 0 6 31 39 27 24 10 5 4 2 0 1 0 0 1 0 0 -1 0 1 3 3 1 3 1 0 -2 0 3 20 27 19 18 8 4 2 1 0 1 0 0 1 0 -2 -1 0 1 2 0 1 2 1 -3 -3 0 1 8 14 10 10 6 3 0 0 0 2 1 1 0 3 -1 0 0 0 4 2 4 1 6 -1 0 0 0 5 9 8 8 6 3 2 0 0 1 0 0 1 1 0 0 0 0 2 1 1 1 4 -1 0 0 0 2 3 3 2 2 0 1 0 !Region 6: Section 4->6 2 8 11 11 10 8 2 3 0 1 5 8 13 16 15 9 4 0 0 1 2 9 15 14 13 4 1 6 34 45 35 29 17 11 9 1 3 22 32 39 49 42 32 20 3 1 7 6 24 49 51 39 26 4 11 55 73 54 40 25 15 10 2 6 36 55 57 62 59 44 31 6 2 9 16 34 59 70 54 40 7 15 72 74 73 55 28 15 9 2 9 48 60 74 81 71 51 33 8 2 11 24 44 72 91 69 43 9 10 65 84 69 62 33 18 12 5 7 44 66 71 79 74 54 34 8 4 14 21 33 57100 79 46 8 6 41 63 50 48 26 16 11 1 4 29 52 55 57 53 46 25 5 3 9 16 29 39 67 74 38 9 1 16 37 26 27 19 13 5 0 1 14 34 29 30 29 27 14 2 0 5 11 14 18 32 43 26 6 0 8 22 16 20 8 11 6 1 0 6 18 17 21 14 18 9 2 -1 -2 3 7 12 16 25 12 3 0 2 6 9 5 2 1 1 0 0 1 4 8 8 6 5 3 1 1 0 0 4 7 10 10 4 1 !Region 6: Section 7->9 0 0 0 4 6 6 6 2 0 0 0 0 2 1 1 1 -1 0 0 0 0 1 0 0 0 -1 0 0 3 1 9 22 24 17 13 2 1 1 2 3 1 1 -1 2 0 0 1 1 2 0 0 -1 1 0 1 3 4 13 28 33 26 21 3 0 -1 1 5 6 1 2 6 1 0 -1 0 3 4 -1 0 4 1 2 4 9 17 33 46 36 23 4 2 1 3 4 5 4 5 6 1 1 1 2 2 2 1 2 3 0 3 7 6 8 23 53 43 26 5 2 2 1 1 3 5 3 4 1 1 1 0 0 1 2 0 1 0 1 4 2 8 15 35 45 26 6 1 0 -2 -1 1 3 6 7 2 0 0 -1 -1 0 1 2 2 1 0 1 1 4 7 16 28 22 6 0 1 0 3 3 -2 5 9 3 0 0 0 2 2 -2 1 3 1 -1 -2 1 2 6 8 19 13 3 0 -1 4 3 4 0 8 9 2 0 -1 3 2 2 -1 4 4 1 1 0 -1 1 3 6 7 4 2 0 0 -1 0 -1 0 3 3 1 0 0 -1 0 -1 0 1 1 0 I/Sigma = 44.71 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 7 Sum = 11413.4; Maximum = 147.289; FM = 0.767 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 4 3 2 2 1 0 0 0 2 11 9 8 6 2 1 0 0 0 0 0 1 1 1 0 0 0 2 8 8 6 4 2 0 0 0 5 24 25 19 12 6 2 1 0 0 1 0 0 0 0 1 0 0 2 9 10 6 4 2 1 0 0 6 27 31 22 14 8 3 2 1 0 1 0 0 0 1 1 0 0 2 9 10 8 4 2 2 0 0 6 27 31 28 18 9 4 2 0 0 1 1 0 0 0 0 1 0 1 5 8 7 3 2 3 2 0 4 20 29 25 15 10 6 3 1 0 1 1 1 0 1 1 0 0 1 3 6 4 2 2 3 2 0 3 15 20 17 9 5 5 2 1 0 1 0 0 0 1 0 0 0 0 2 3 2 1 1 1 1 1 1 6 10 9 4 3 3 2 1 0 0 0 0 0 1 0 0 0 0 1 1 0 2 1 1 1 0 0 1 3 3 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 !Region 7: Section 4->6 3 13 12 14 15 11 6 1 0 2 7 10 17 25 24 16 3 0 1 3 5 10 16 20 16 3 0 6 29 35 39 38 27 20 10 1 3 18 31 53 66 63 56 29 4 1 7 14 28 43 51 52 29 4 8 37 50 50 44 37 26 18 4 5 27 50 69 79 85 74 54 11 1 10 23 38 53 70 72 54 11 9 40 55 61 56 43 27 20 5 6 34 59 83100 99 79 58 14 2 13 27 44 66 83 80 59 14 7 35 55 64 51 36 26 17 3 5 29 63 93 94 82 69 48 10 2 12 30 50 62 70 67 50 12 5 27 45 50 34 22 17 9 2 4 24 59 77 64 55 43 27 6 1 11 30 43 45 49 42 32 9 2 13 28 26 17 11 8 4 1 2 18 43 42 35 29 21 12 3 1 9 23 27 28 29 23 19 5 0 5 11 12 11 7 5 3 1 0 8 19 23 22 17 13 8 2 0 4 12 15 18 17 16 13 3 0 0 2 4 5 3 2 2 0 0 1 3 8 10 7 5 5 1 0 0 2 6 8 7 6 6 1 !Region 7: Section 7->9 0 1 2 2 4 7 6 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 1 3 4 7 13 17 10 2 0 1 2 1 1 2 2 1 0 0 0 0 0 0 1 0 0 0 1 2 3 5 10 20 25 19 4 0 2 2 1 1 3 3 2 0 0 1 0 0 0 1 1 1 0 0 1 4 6 14 26 30 24 5 0 1 2 2 3 4 4 4 1 0 0 0 1 0 1 1 1 0 0 2 5 6 13 21 26 23 6 0 1 2 1 3 3 3 5 1 0 0 0 0 1 1 0 1 0 0 2 4 6 10 16 18 20 6 0 1 2 1 2 2 4 8 2 0 1 1 0 1 1 1 1 0 0 1 2 5 8 12 14 19 5 0 0 1 2 1 2 5 10 3 0 0 1 1 1 0 1 1 0 0 1 2 4 6 9 12 14 4 0 0 1 1 1 2 5 9 3 0 0 1 1 1 0 1 2 1 0 0 1 2 3 4 5 6 2 0 0 0 1 1 2 2 4 2 0 0 0 0 0 0 1 1 0 I/Sigma = 53.05 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 8 Sum = 17590.4; Maximum = 231.394; FM = 0.773 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 0 0 2 5 5 5 4 2 1 0 0 0 1 0 1 0 0 0 0 0 2 5 3 2 1 1 1 1 0 5 17 17 14 10 6 4 1 1 1 1 1 1 0 0 1 0 1 3 7 5 3 1 1 1 1 1 8 28 28 20 13 8 4 2 0 0 1 0 0 0 0 0 1 0 2 7 5 3 2 1 1 1 0 9 31 33 25 16 11 4 2 0 0 1 0 0 0 0 0 1 0 2 5 4 2 1 1 1 1 0 8 28 37 29 19 10 4 2 0 0 0 1 0 0 0 0 0 0 1 3 4 3 0 1 1 0 0 4 20 35 28 15 7 2 0 0 0 0 0 1 0 0 1 0 0 0 1 1 2 0 1 2 1 0 2 11 21 17 8 4 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 3 6 6 4 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 !Region 8: Section 4->6 2 8 12 16 14 10 5 2 0 2 6 10 19 20 19 11 5 0 1 2 3 9 12 17 12 5 0 6 27 40 43 37 26 16 7 1 4 17 33 49 54 48 37 18 3 1 4 10 23 34 44 45 24 3 12 47 62 59 49 38 21 10 1 7 28 49 65 74 73 56 30 4 1 4 15 29 46 66 73 40 6 17 58 73 77 64 47 23 9 1 10 35 57 84 94 87 62 30 5 1 4 15 36 55 76 81 47 8 15 56 89 88 72 43 18 7 1 8 34 71 91100 78 45 22 3 1 5 19 36 57 68 60 37 7 8 44 89 82 55 27 10 4 1 4 28 69 85 72 49 26 13 3 0 4 16 33 40 43 36 24 6 4 28 57 51 29 12 6 3 0 3 19 46 51 40 24 15 9 2 1 4 12 19 24 25 23 18 4 1 8 19 19 12 6 3 2 1 1 6 18 24 20 15 10 7 2 1 2 7 13 17 19 18 15 4 0 1 2 3 3 2 2 1 0 0 1 2 5 7 6 5 3 0 0 1 1 3 7 10 8 7 2 !Region 8: Section 7->9 0 1 0 1 3 6 5 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 8 19 24 13 2 0 0 0 1 1 4 4 3 1 0 0 0 0 0 1 1 1 0 0 1 2 4 10 27 40 22 4 0 0 0 0 2 5 7 4 1 0 0 0 0 1 1 1 1 0 0 1 2 5 10 30 45 29 6 0 0 0 0 1 5 7 6 2 0 0 0 0 0 1 1 1 0 0 1 3 4 11 26 35 28 7 0 1 1 1 2 4 7 9 4 0 0 1 1 0 1 1 2 1 0 1 2 4 8 18 22 20 7 0 1 1 2 2 4 5 8 5 0 0 0 1 1 1 1 2 2 0 1 2 3 6 13 17 18 6 0 1 0 2 2 3 5 9 5 0 0 0 1 1 1 1 3 2 1 1 1 3 7 11 14 16 7 0 1 0 0 3 2 5 9 6 0 0 0 0 1 1 1 3 2 0 0 0 1 3 6 6 7 4 0 0 0 0 1 1 2 4 3 0 0 0 0 0 0 1 2 1 I/Sigma = 183.42 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.103 Region 9 Sum = 161675; Maximum = 4778.72; FM = 0.945 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 2 4 4 3 3 1 0 0 0 0 1 1 0 0 0 0 0 0 2 5 4 3 1 1 0 0 0 2 7 8 8 7 4 1 0 0 0 1 1 1 0 0 0 0 0 2 6 7 5 3 1 0 0 0 2 8 11 13 13 7 2 0 0 0 1 1 1 0 0 0 0 0 1 5 7 6 4 2 0 0 0 2 7 11 13 13 8 2 0 0 0 1 1 0 0 0 0 0 0 1 3 4 4 3 1 0 0 0 1 4 6 8 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 9: Section 4->6 0 1 1 2 1 1 0 0 0 0 1 1 3 3 2 1 0 0 0 0 1 2 2 2 1 0 0 1 2 5 8 7 3 1 1 0 0 2 7 14 13 8 3 1 0 0 1 4 8 9 7 4 2 0 1 5 12 21 21 13 4 1 0 1 5 17 33 37 25 9 2 0 0 2 8 18 25 22 12 4 1 1 7 21 39 50 30 8 1 0 1 7 28 58 78 53 18 3 0 0 3 13 31 46 40 21 7 2 1 7 24 49 68 49 13 2 0 1 6 28 67100 75 23 4 0 0 2 11 33 54 45 22 8 2 1 5 17 41 57 43 10 1 0 0 3 19 53 80 60 16 3 0 0 1 7 22 37 29 13 5 2 1 3 8 20 29 17 4 1 0 0 2 8 26 39 23 6 2 0 0 1 3 10 16 11 5 3 1 0 1 3 6 8 4 1 0 0 0 1 2 7 10 5 2 1 0 0 0 1 3 4 3 2 1 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 9: Section 7->9 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 3 1 0 0 0 1 1 3 3 2 1 0 0 0 0 0 1 1 1 0 0 0 2 4 10 15 13 7 2 0 0 0 1 3 7 8 5 1 0 0 0 0 1 2 2 1 0 0 1 3 8 17 23 21 12 4 0 0 0 1 5 9 12 8 3 0 0 0 0 1 2 2 2 0 0 0 2 8 16 20 19 13 4 0 0 0 1 3 7 10 8 3 0 0 0 0 1 1 2 1 1 0 0 1 3 8 9 10 9 4 0 0 0 0 1 3 5 6 3 0 0 0 0 0 0 1 1 1 0 0 0 1 2 3 5 5 2 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 4.4137 0.8648 20.118 126.103 Orientation ('UB') matrix: 0.1441227 0.0357147 -0.0037895 0.0297397 -0.0027264 0.0771480 0.0656581 -0.0771605 -0.0044800 A B C Alpha Beta Gamma Vol 6.2483 11.7552 13.0136 90.000 96.697 90.000 949.33 0.0002 0.0012 0.0010 0.000 0.003 0.000 0.15 Corrected for goodness of fit: 0.0006 0.0028 0.0023 0.000 0.006 0.000 0.36 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.929 96.093 24.190 Goniometer zeros (deg): 0.0000* 0.1557 0.0000* 0.0062 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7754 -0.9893 0.0732 -0.2681 -0.2332 0.8343 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.90739e+03 3.22573e+03 2.39 3 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 200 200 181 Average input ESD (pix, pix, deg): 0.15364 0.12915 0.05262 Goodness of fit: 2.67906 2.08833 2.25212 Old XYZ spot size: 1.086 1.230 2.260 New XYZ spot size: 1.443 1.636 2.448 Average missing volume: 0.049 % with too much missing I: 5.263 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 5. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:41 Current XYZ spot size: 1.443 1.636 2.448 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): 0.202 0.189 0.343 Profile convolver halfwidth: 1.00 1.00 1.71 Background pixels updated = 96.27% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 3.20 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.20 1.000 2_0003 2 -0.07 0.10 -0.06 0.12 0.11 0.09 19087 57 0 0.77 24 2.58 3.66 3.20 1.000 3_0004 6 0.02 -0.06 0.04 0.29 0.21 0.08 103143 110 0 0.51 27 2.25 3.18 3.00 1.000 4_0005 11 -0.04 0.03 -0.02 0.19 0.07 0.09 38889 75 0 0.76 28 2.33 3.44 2.94 1.000 5_0006 11 0.03 0.03 0.02 0.09 0.07 0.13 36925 75 0 0.71 28 2.45 3.59 2.87 1.000 6_0007 12 -0.02 0.02 -0.02 0.15 0.11 0.27 35428 61 0 0.73 27 2.39 3.55 2.74 1.000 7_0008 9 0.16 0.04 0.02 0.46 0.09 0.15 11961 35 11 0.65 27 2.30 3.45 2.75 1.000 8_0009 13 0.01 0.01 0.05 0.23 0.07 0.17 72396 103 8 0.79 28 2.37 3.49 2.71 1.000 9_0010 10 0.01 0.00 -0.03 0.14 0.09 0.09 18601 49 0 0.68 29 2.31 3.41 2.65 1.000 10_0011 7 0.04 -0.03 0.02 0.09 0.07 0.08 60463 88 0 0.77 30 2.30 3.37 2.65 1.000 11_0012 9 0.02 -0.01 -0.06 0.09 0.06 0.09 105312 122 0 0.71 33 2.30 3.41 2.57 1.000 12_0013 14 0.06 -0.06 -0.04 0.18 0.14 0.11 31918 57 0 0.68 26 2.27 3.35 2.63 1.000 13_0014 9 0.03 -0.03 0.02 0.07 0.04 0.04 107511 111 0 0.82 29 2.26 3.33 2.60 1.000 14_0015 12 0.17 -0.07 0.03 0.74 0.22 0.26 37267 59 8 0.74 27 2.28 3.36 2.67 1.000 15_0016 8 -0.01 -0.04 0.03 0.31 0.22 0.17 4921.9 21 25 0.69 26 2.26 3.33 2.69 1.000 16_0017 12 0.02 -0.10 0.00 0.14 0.17 0.14 36398 68 0 0.79 28 2.25 3.34 2.68 1.000 17_0018 7 -0.06 0.02 -0.00 0.09 0.04 0.08 66097 104 0 0.70 28 2.28 3.37 2.64 1.000 18_0019 9 0.19 -0.03 -0.05 0.32 0.08 0.08 54340 91 0 0.75 28 2.30 3.37 2.63 1.000 19_0020 12 -0.03 -0.03 -0.04 0.17 0.12 0.14 66073 82 0 0.75 28 2.30 3.39 2.63 1.000 Background pixels updated = 96.70% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.08 -0.09 0.01 0.14 0.12 0.07 19214 53 0 0.71 26 2.31 3.40 2.64 1.000 21_0022 10 0.03 -0.08 0.06 0.17 0.12 0.17 52061 81 0 0.72 26 2.32 3.39 2.63 1.000 22_0023 6 -0.07 -0.06 -0.05 0.22 0.15 0.17 37673 68 0 0.71 24 2.31 3.37 2.61 1.000 23_0024 9 -0.01 -0.02 0.00 0.11 0.13 0.15 91948 107 0 0.84 29 2.31 3.35 2.61 1.000 24_0025 9 0.02 -0.03 0.05 0.13 0.15 0.15 42215 76 0 0.75 29 2.31 3.35 2.63 1.000 25_0026 9 0.16 -0.05 -0.07 0.37 0.16 0.12 36266 63 11 0.70 29 2.30 3.35 2.62 1.000 I/Sigma = 78.74 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.069 Region 1 Sum = 35111.7; Maximum = 681.373; FM = 0.808 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 0 5 12 11 7 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 1 0 6 21 26 17 8 3 2 1 0 0 0 0 0 0 1 0 0 0 1 3 4 3 1 1 1 1 0 7 28 43 32 15 5 2 1 1 0 0 0 0 0 0 0 0 0 1 2 5 3 2 1 1 1 0 4 22 47 43 22 7 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 1 0 2 12 30 32 18 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 10 12 8 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 3 4 4 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 1 1 1 1 0 0 !Region 1: Section 4->6 3 7 7 5 2 1 1 0 0 1 3 5 5 3 2 1 0 0 0 1 2 3 3 2 1 1 0 8 21 22 17 9 4 2 1 0 3 11 15 16 13 8 4 1 0 1 2 5 9 12 10 5 2 1 10 38 53 41 22 9 4 2 1 4 19 34 39 35 22 11 3 1 1 3 9 20 33 32 17 5 1 11 50 88 77 45 18 7 3 1 5 24 51 64 63 43 23 8 2 1 4 11 27 51 59 42 14 2 7 39 93100 63 27 10 4 1 3 18 51 74 79 62 36 13 2 1 3 9 24 55 77 62 23 4 3 20 60 75 50 22 8 3 1 1 10 32 52 59 49 29 12 2 1 2 5 16 39 59 53 24 5 1 6 21 29 22 11 5 2 1 1 3 12 22 27 25 17 8 2 0 1 3 8 19 32 33 18 4 0 2 6 10 11 7 4 2 1 0 1 5 11 17 16 11 6 2 0 1 2 6 14 22 24 16 4 0 1 2 3 4 3 1 1 0 0 0 1 4 8 7 4 2 1 0 0 1 3 7 10 9 7 2 !Region 1: Section 7->9 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 2 6 13 16 10 3 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 19 31 25 8 1 0 1 1 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 18 39 39 14 3 0 1 1 1 2 5 6 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 13 30 37 17 3 0 0 1 1 1 5 7 4 1 0 0 0 0 0 0 0 0 0 0 1 1 2 7 18 26 16 4 0 1 0 1 1 3 6 4 1 0 0 0 0 0 0 1 1 0 0 1 1 2 6 14 21 15 4 0 0 0 1 1 3 6 5 1 0 0 0 0 0 1 1 1 0 0 0 0 1 3 6 8 7 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 260.77 Thresh = 0.020 Blend = F #Contributing = 65 InitialProfileWt = 0.041 Region 2 Sum = 356387; Maximum = 18505.3; FM = 0.903 !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 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 1 2 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 1 0 0 0 0 1 4 13 15 5 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 5 4 1 0 0 0 0 1 5 17 23 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 0 0 0 0 0 3 10 14 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !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 1 3 2 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 14 15 4 1 0 0 0 0 3 14 17 5 1 0 0 0 0 1 4 8 5 1 0 0 0 1 9 39 57 20 2 0 0 0 1 8 40 65 26 3 0 0 0 0 2 15 32 19 4 0 0 0 1 11 55 88 44 4 0 0 0 1 10 59100 55 7 1 0 0 0 3 23 49 34 7 1 0 0 0 5 34 59 27 3 0 0 0 0 5 36 69 34 5 1 0 0 0 1 13 32 22 5 1 0 0 0 1 8 15 5 1 0 0 0 0 1 9 19 8 2 0 0 0 0 0 3 9 7 2 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 4 1 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 17 15 4 0 0 0 0 0 1 5 5 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 8 26 20 6 1 0 0 0 0 2 7 6 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 4 15 12 4 1 0 0 0 0 1 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 2 1 0 0 0 0 0 1 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 134.13 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.103 Region 3 Sum = 107157; Maximum = 4828.66; FM = 0.921 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 2 6 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 0 0 0 0 1 3 10 18 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 11 17 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 7 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 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 1 0 0 0 0 0 !Region 3: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 7 8 4 1 0 0 0 1 2 6 9 5 1 0 0 0 0 1 2 4 3 1 0 0 0 1 4 17 31 16 2 0 0 0 1 4 16 34 18 2 0 0 0 0 1 6 14 10 2 0 0 0 1 5 29 65 37 4 0 0 0 1 5 34 81 45 5 0 0 0 0 2 16 44 26 4 0 0 0 1 5 33 68 40 4 0 0 0 1 6 45100 60 8 1 0 0 0 3 29 69 40 7 1 0 0 1 6 24 38 19 3 1 0 0 1 6 37 67 38 7 1 0 0 0 4 31 56 33 7 1 0 0 1 4 11 13 6 1 0 0 0 1 5 18 26 15 4 1 0 0 0 3 16 25 16 5 1 0 0 1 3 5 4 2 1 0 0 0 1 3 7 8 5 2 0 0 0 0 1 5 7 6 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 2 2 1 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 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 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 8 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 23 13 3 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 13 21 11 3 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 10 6 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 1 0 0 0 0 0 0 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 I/Sigma = 75.19 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 4 Sum = 29906.1; Maximum = 661.297; FM = 0.838 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 5 8 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 2 9 17 14 7 2 1 1 0 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 1 0 1 11 25 23 13 4 2 1 0 0 1 0 0 0 0 1 0 0 0 1 2 2 2 1 1 1 0 1 7 20 23 17 7 2 1 1 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 1 0 1 4 11 15 12 8 3 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 5 7 7 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 4 5 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 2 2 1 0 0 !Region 4: Section 4->6 0 3 7 7 3 1 0 1 0 0 3 8 8 4 2 1 0 0 0 1 3 4 5 3 1 0 0 2 16 32 28 12 4 1 2 0 2 13 32 31 17 7 2 2 0 0 3 9 13 15 11 4 2 0 4 27 61 62 31 8 3 2 1 2 20 56 68 41 17 6 3 1 0 4 14 22 28 26 11 4 1 3 28 79 95 60 19 5 2 1 2 18 65100 76 35 12 4 1 1 3 14 30 41 47 22 6 1 2 16 57 87 78 34 8 3 1 1 10 42 86 95 57 21 6 1 0 2 8 25 46 64 38 10 1 1 6 27 51 56 37 11 3 1 1 4 19 48 66 56 26 7 1 0 2 4 13 30 55 43 12 1 1 3 12 25 28 24 10 3 1 1 2 9 22 32 33 20 6 1 1 1 2 6 14 29 29 10 1 1 2 8 15 17 13 6 2 1 0 2 6 14 18 17 10 4 1 0 1 2 4 7 12 12 6 1 0 1 3 7 8 5 2 0 0 0 1 2 6 8 6 4 1 0 0 0 1 2 3 4 4 1 0 !Region 4: Section 7->9 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 8 3 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 2 4 13 18 8 3 1 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 16 30 15 4 1 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 16 38 26 7 1 0 1 1 1 2 4 3 1 0 0 0 1 1 1 0 0 0 0 0 1 1 3 9 32 29 8 1 0 0 1 1 2 4 3 1 0 0 0 0 0 1 0 1 0 0 0 1 1 2 4 16 19 6 1 0 1 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 6 8 4 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 26.70 Thresh = 0.020 Blend = F #Contributing = 1 InitialProfileWt = 0.875 Region 5 Sum = 1161.15; Maximum = 24.3261; FM = 0.721 !Region 5: Section 1->3 0 0 0 0 1 0 1 0 0 0 0 1 -1 2 1 2 1 0 0 0 2 2 3 1 3 1 0 0 1 0 0 1 2 3 1 0 1 2 0 -1 3 6 7 4 -1 2 5 13 6 3 6 6 1 0 0 1 -1 -1 2 2 1 -1 0 1 2 -2 -4 5 5 4 -2 -1 3 13 20 10 10 5 5 -1 0 0 3 2 -2 0 -1 2 1 1 0 7 4 -6 0 -1 6 1 3 3 24 33 20 13 3 4 0 2 -1 0 3 0 2 0 2 2 1 -2 1 7 1 7 1 5 5 3 1 20 39 25 23 5 4 5 1 -1 0 1 -1 2 0 -2 -2 0 -1 0 2 -2 4 1 -4 -4 -1 0 9 25 16 21 8 2 2 0 0 1 0 1 1 0 -3 0 0 0 2 1 2 2 -1 -7 0 1 0 3 11 9 12 6 1 3 1 -1 2 2 1 1 3 -1 2 0 -2 4 5 4 4 7 -1 4 0 0 2 8 9 8 5 2 2 0 0 3 1 0 0 0 0 0 0 1 8 2 -1 -1 1 0 1 0 0 3 1 1 1 3 1 0 0 !Region 5: Section 4->6 0 1 4 5 4 2 4 2 2 0 1 4 5 4 2 5 1 1 0 1 5 8 6 2 8 0 0 2 11 33 17 4 9 7 -2 0 1 5 19 16 12 8 7 0 1 0 0 7 21 25 10 10 2 3 6 29 53 31 18 6 7 1 0 3 14 25 20 29 20 13 4 0 1 2 1 13 51 43 23 9 0 7 52 80 58 34 9 3 -1 1 3 26 42 39 43 29 14 5 3 -1 4 11 27 67 62 32 14 6 5 51 90 64 49 12 3 6 -1 1 26 49 39 50 46 19 8 1 -2 5 15 23 65100 43 14 4 3 23 62 44 47 20 11 10 2 1 14 31 25 35 47 29 10 2 0 7 5 11 32 92 59 14 2 1 6 27 21 29 16 13 8 2 1 3 11 10 16 22 19 8 0 2 2 -4 0 5 34 32 10 -2 2 -1 13 18 14 5 6 -1 0 2 3 4 9 10 10 9 1 0 3 7 -5 1 7 19 16 4 0 -1 -3 -2 3 5 6 2 0 0 0 0 0 1 3 4 1 0 0 1 3 3 0 1 4 1 0 0 !Region 5: Section 7->9 0 0 2 3 4 2 4 2 2 0 0 0 -2 3 3 2 5 4 0 0 0 -1 1 1 1 2 2 0 1 2 11 13 5 4 3 2 1 2 -3 3 4 0 0 4 1 1 1 -1 1 1 0 0 2 0 1 1 0 8 23 18 11 5 1 2 0 -1 5 1 -3 1 2 3 1 0 0 2 0 -1 0 1 1 0 2 5 15 33 27 17 9 4 0 1 -1 7 9 0 7 6 4 0 0 0 3 4 0 3 3 1 -1 6 8 10 30 45 20 4 1 -1 9 3 1 3 2 2 -4 -2 0 4 1 0 1 1 1 -2 -1 2 6 1 4 14 41 28 9 2 5 6 -4 -2 0 2 5 6 3 2 3 -2 -1 0 1 2 2 1 2 3 -2 2 4 14 18 6 0 3 5 0 6 4 -2 9 5 2 1 2 0 2 1 -1 4 2 1 1 3 -1 1 4 10 12 3 0 0 0 2 1 1 5 11 2 0 0 0 1 0 0 2 5 1 0 0 2 0 0 2 3 0 0 0 -1 1 0 0 4 5 0 0 0 0 1 1 0 2 2 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.03909; Maximum = 0.0174536; FM = 0.84 !Region 6: Section 1->3 0 0 0 0 1 0 0 0 0 0 1 1 0 2 1 1 0 0 1 3 4 3 3 1 2 1 0 0 1 0 0 1 1 1 1 0 2 4 3 1 3 4 4 2 0 4 11 15 10 7 6 5 2 0 0 0 0 -1 1 1 1 0 0 1 4 3 0 4 3 2 0 0 5 19 26 17 12 5 4 1 0 0 1 1 -1 0 0 1 0 1 1 7 7 0 2 0 3 1 2 4 26 38 27 16 5 4 1 1 0 1 2 0 1 0 1 1 1 0 2 7 4 5 2 3 3 2 2 20 40 32 23 8 4 4 1 0 0 1 0 1 0 -1 -1 0 0 1 3 1 3 1 -1 -2 0 1 10 26 22 18 8 3 2 0 0 1 0 0 1 0 -1 0 0 0 2 2 2 2 0 -3 1 1 0 3 10 10 10 5 2 3 1 0 1 1 1 1 1 0 1 0 -1 2 3 2 3 4 0 3 0 0 1 5 6 6 4 2 2 0 0 2 0 0 0 0 0 0 0 1 4 1 0 -1 0 0 0 0 0 2 1 1 1 2 1 0 0 !Region 6: Section 4->6 1 4 6 6 5 3 3 1 1 0 2 5 6 7 6 5 1 1 0 1 4 6 7 5 6 0 0 4 16 29 21 14 13 9 1 0 2 8 18 22 25 22 16 4 1 0 2 8 18 26 21 15 4 2 7 33 52 40 29 15 12 5 1 4 17 31 39 51 43 30 12 1 1 3 6 21 51 52 35 14 1 8 48 77 68 47 23 12 6 2 4 26 50 63 74 63 42 21 5 1 5 15 35 70 77 54 25 6 5 43 84 78 60 26 13 9 1 2 24 55 72 84 74 45 23 4 -1 6 18 35 73100 62 27 6 3 22 58 57 48 23 13 8 2 2 14 40 56 58 57 36 16 3 1 6 12 26 44 81 57 22 4 1 6 25 26 26 14 10 6 2 1 5 20 25 27 26 19 9 2 2 3 5 11 17 35 31 14 2 1 0 10 15 13 6 6 1 0 1 2 7 13 16 14 11 4 1 2 5 0 6 13 20 18 9 2 -1 -2 0 3 4 4 2 0 0 0 0 1 3 5 6 3 1 0 1 2 2 2 4 6 5 3 1 !Region 6: Section 7->9 0 0 1 2 3 2 3 1 1 0 0 0 -1 2 2 1 3 2 0 0 0 0 1 1 0 1 1 0 1 2 7 10 7 5 2 1 1 2 -1 2 3 1 1 2 0 0 1 0 1 1 0 0 1 0 1 1 1 7 17 18 13 5 1 1 1 0 3 1 -1 1 1 1 0 0 0 1 0 0 0 1 1 1 3 4 11 25 29 23 11 3 1 1 1 5 6 2 5 5 2 0 0 0 2 2 0 2 2 1 0 4 6 9 24 40 28 11 2 0 5 2 1 3 4 4 0 -1 0 2 1 0 1 1 1 -1 0 1 4 2 5 14 34 30 14 3 3 4 -1 -1 1 3 7 7 3 1 2 -1 0 0 1 1 2 1 2 3 0 3 6 15 21 13 3 2 3 0 4 3 1 9 8 2 1 1 0 2 1 0 2 2 1 1 2 0 3 6 12 15 11 3 0 1 2 2 2 5 10 6 2 0 0 1 1 1 1 3 1 0 0 1 0 1 3 5 5 5 2 0 1 0 1 3 4 3 3 1 0 0 1 0 1 1 0 1 0 I/Sigma = 48.02 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 7 Sum = 14382.6; Maximum = 247.16; FM = 0.859 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 2 5 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 2 5 5 3 3 1 1 1 0 4 15 15 12 10 4 3 2 0 0 0 0 0 1 0 0 0 0 1 5 7 5 3 1 1 1 0 5 21 25 20 12 5 3 2 1 0 0 0 0 0 0 0 0 0 1 5 9 6 3 1 1 1 0 4 20 31 25 15 6 3 2 1 0 1 0 0 0 0 0 1 0 1 4 6 6 3 2 2 1 1 2 14 27 27 16 8 4 2 1 0 1 1 1 0 0 0 0 0 1 2 4 4 2 2 2 1 0 1 8 17 18 9 5 4 2 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 0 2 7 7 4 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 2 2 3 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 !Region 7: Section 4->6 1 5 6 5 7 5 2 0 0 1 3 5 6 10 10 5 1 0 0 1 2 3 6 7 4 0 0 4 15 19 20 22 16 10 4 0 2 8 14 24 37 37 25 8 0 1 3 6 13 24 30 21 5 0 6 26 35 39 36 25 16 8 2 3 14 26 48 67 65 49 22 3 1 4 10 24 42 54 45 19 3 6 29 48 55 48 34 22 13 2 4 18 43 71 91 90 69 38 7 2 7 17 36 59 78 68 35 6 3 23 48 63 53 34 22 11 2 2 17 46 86100 88 65 36 7 1 7 19 43 66 78 66 36 7 2 14 36 50 34 21 12 5 1 1 12 40 75 67 54 36 18 4 1 6 19 40 47 50 40 23 4 1 5 17 22 15 9 5 3 1 1 6 26 37 32 24 14 8 3 1 4 14 22 25 25 20 14 4 0 1 5 8 8 5 4 3 1 0 2 8 15 18 13 9 6 1 0 2 5 11 16 15 13 10 3 0 0 1 2 2 2 2 1 0 0 0 2 5 6 5 4 2 0 0 0 2 4 6 7 7 5 1 !Region 7: Section 7->9 0 0 0 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 6 8 6 1 0 0 1 1 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 2 2 4 7 14 13 5 1 0 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 2 3 2 5 11 22 23 11 2 1 2 2 2 2 3 3 2 1 0 0 0 0 0 0 0 1 0 1 2 3 5 13 23 25 14 3 1 1 1 2 3 3 4 4 1 0 0 0 0 1 1 0 1 0 1 1 3 5 10 16 21 16 4 1 1 2 1 2 2 6 6 2 0 0 0 0 1 0 1 1 0 1 2 2 4 7 11 17 17 5 0 1 1 2 1 3 7 10 3 0 0 0 1 1 0 1 1 0 0 1 2 4 7 10 13 15 5 0 1 1 2 3 4 7 10 3 0 0 0 1 1 0 1 1 1 0 0 1 2 4 6 8 8 3 0 0 1 1 2 3 5 6 2 0 0 0 0 0 0 1 1 0 I/Sigma = 55.19 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 8 Sum = 20832.3; Maximum = 405.66; FM = 0.861 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 4 3 2 1 1 0 0 0 0 1 0 0 0 0 0 1 0 3 4 2 1 0 1 1 1 1 5 8 7 6 5 3 1 1 0 0 1 0 0 0 0 0 0 0 2 5 4 2 1 1 1 1 1 4 12 17 13 8 5 2 1 1 0 0 1 0 0 0 0 1 0 2 5 6 3 1 1 1 1 0 4 18 28 21 13 6 2 1 0 0 1 0 0 0 0 0 0 0 1 4 4 2 1 1 1 1 0 3 16 28 26 16 7 3 1 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 1 1 2 8 22 24 13 5 1 1 1 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 0 0 1 2 9 11 6 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 !Region 8: Section 4->6 1 4 5 5 5 3 1 1 0 0 2 3 5 9 7 2 0 0 0 1 1 2 5 6 2 0 0 3 10 14 19 22 13 6 2 0 1 6 11 21 33 26 11 3 0 0 1 3 8 20 24 12 3 1 4 15 35 43 37 23 11 3 1 2 8 25 47 56 48 29 8 1 0 2 5 19 35 48 39 11 1 5 28 60 64 54 35 14 4 1 2 15 40 67 82 75 46 12 2 0 2 7 25 48 74 65 20 3 5 30 68 84 69 36 12 3 1 3 17 47 86100 74 37 10 2 1 2 8 30 55 71 56 21 4 3 17 59 80 54 21 6 2 1 2 10 44 81 73 42 19 7 2 0 1 8 26 39 41 31 15 4 1 5 29 38 23 8 3 1 1 1 4 24 41 33 18 10 5 1 0 1 5 15 21 23 20 12 3 0 2 4 7 6 4 2 1 0 0 1 4 11 13 11 8 3 1 0 1 2 7 13 17 16 10 3 0 1 1 1 1 1 1 1 0 0 0 1 2 3 3 3 1 0 0 0 0 2 4 7 7 4 1 !Region 8: Section 7->9 0 0 0 0 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 5 9 5 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 1 1 2 8 21 20 6 1 0 1 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 1 1 3 10 31 35 12 3 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 1 0 0 1 2 3 10 29 33 17 5 0 0 1 1 1 3 5 6 2 0 0 0 1 1 1 1 1 1 0 1 2 3 8 18 21 17 6 0 1 1 1 1 3 5 9 6 0 0 0 0 1 1 1 3 2 0 0 1 2 6 12 17 17 8 0 0 0 0 2 2 6 12 8 0 0 0 0 1 1 2 4 3 0 0 1 2 6 11 14 15 7 0 0 0 0 1 2 6 12 8 0 0 0 0 1 0 2 4 3 0 0 0 1 2 5 7 6 3 0 0 0 0 1 1 3 5 4 0 0 0 0 0 0 1 2 2 I/Sigma = 179.57 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.090 Region 9 Sum = 166933; Maximum = 7405.15; FM = 0.918 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 3 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 2 5 7 7 4 2 0 0 0 0 1 1 1 0 0 0 0 0 1 4 6 5 3 1 0 0 0 2 6 11 13 10 4 1 0 0 0 1 1 1 0 0 0 0 0 1 3 5 6 3 1 0 0 0 1 4 9 12 11 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 2 4 6 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 2 1 0 0 0 0 1 2 5 6 3 1 0 0 0 0 1 3 4 3 1 0 0 0 2 5 12 11 5 1 0 0 0 1 6 21 24 14 4 1 0 0 1 3 11 17 14 6 1 0 1 3 11 30 39 19 3 1 0 0 2 14 46 69 42 10 1 0 0 1 6 24 43 36 14 3 0 1 3 14 42 63 36 5 1 0 0 2 14 58100 63 11 1 0 0 1 5 26 53 41 14 3 1 0 2 9 30 48 26 3 0 0 0 1 7 37 69 40 7 1 0 0 0 3 14 30 21 8 2 0 0 1 4 10 14 6 1 0 0 0 1 2 11 19 9 2 1 0 0 0 1 4 7 5 3 1 0 0 0 1 2 2 1 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 9 7 3 1 0 0 0 1 2 5 5 3 1 0 0 0 0 1 1 1 1 0 0 0 1 5 15 21 15 6 1 0 0 0 1 4 9 9 5 1 0 0 0 0 1 2 2 1 0 0 0 1 5 15 19 16 8 2 0 0 0 1 3 7 8 6 2 0 0 0 0 0 1 1 1 0 0 0 0 1 5 7 8 6 2 0 0 0 0 1 2 5 5 2 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (206 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 206 0 206 4.4137 0.8649 20.118 126.093 Orientation ('UB') matrix: 0.1441311 0.0357211 -0.0037852 0.0297279 -0.0027372 0.0771316 0.0656331 -0.0772041 -0.0044860 A B C Alpha Beta Gamma Vol 6.2485 11.7493 13.0162 90.000 96.694 90.000 949.07 0.0003 0.0012 0.0010 0.000 0.003 0.000 0.16 Corrected for goodness of fit: 0.0006 0.0028 0.0025 0.000 0.007 0.000 0.38 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.924 96.096 24.181 Goniometer zeros (deg): 0.0000* 0.1543 0.0000* -0.0014 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7113 -0.9497 0.0744 -0.2484 -0.2262 0.8238 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.58681e+03 3.30148e+03 2.37 2 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 206 206 190 Average input ESD (pix, pix, deg): 0.17175 0.14466 0.05011 Goodness of fit: 2.71733 2.13059 2.10924 Old XYZ spot size: 1.443 1.636 2.448 New XYZ spot size: 1.605 1.815 2.613 Average missing volume: 0.046 % with too much missing I: 5.091 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:23:42 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 1.605 1.815 2.613 Spot size used (deg): 1.605 1.815 2.613 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 16 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): 0.224 0.210 0.357 Profile convolver halfwidth: 1.00 1.00 1.64 Background pixels updated = 96.04% 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 17 0.00 0.00 2.61 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.61 1.000 2_0003 3 0.11 -0.04 -0.11 0.19 0.19 0.13 17971 45 0 0.81 23 2.01 3.14 2.61 1.000 3_0004 5 -0.15 0.07 0.07 0.27 0.13 0.10 100209 134 0 0.81 28 1.86 2.90 2.61 1.000 4_0005 12 0.05 -0.37 -0.09 0.30 1.44 0.25 39101 75 0 0.78 29 1.96 2.98 2.61 1.000 5_0006 11 0.02 0.05 0.01 0.11 0.07 0.12 40784 78 0 0.78 29 2.10 3.12 2.61 1.000 6_0007 12 -0.05 0.04 -0.01 0.18 0.12 0.21 31623 62 0 0.77 27 2.06 3.08 2.61 1.000 7_0008 9 0.15 0.04 -0.02 0.41 0.10 0.14 13694 36 11 0.72 27 1.98 3.00 2.61 1.000 8_0009 13 0.00 0.03 0.01 0.28 0.08 0.11 65930 104 8 0.79 29 2.02 3.03 2.61 1.000 9_0010 10 -0.03 0.00 -0.05 0.16 0.12 0.07 19517 50 0 0.73 31 1.97 2.94 2.60 1.000 10_0011 7 -0.01 -0.02 0.04 0.06 0.07 0.08 41999 90 0 0.82 31 1.97 2.92 2.60 1.000 11_0012 10 -0.00 -0.01 -0.04 0.10 0.06 0.08 75083 131 0 0.76 33 1.97 2.97 2.58 1.000 12_0013 14 0.06 -0.06 -0.03 0.21 0.15 0.09 28783 58 0 0.70 26 1.94 2.91 2.61 1.000 13_0014 10 0.08 0.04 -0.00 0.19 0.19 0.07 63507 106 0 0.84 31 1.93 2.89 2.60 1.000 14_0015 12 0.17 -0.06 0.01 0.79 0.24 0.27 30520 59 8 0.76 27 1.94 2.92 2.62 1.000 15_0016 8 -0.04 -0.03 0.03 0.27 0.22 0.15 5341.5 21 13 0.71 26 1.92 2.89 2.63 1.000 16_0017 12 -0.00 -0.11 0.02 0.12 0.17 0.14 31880 69 0 0.81 29 1.91 2.90 2.63 1.000 17_0018 7 -0.06 0.01 -0.00 0.10 0.04 0.07 61671 105 0 0.72 30 1.93 2.92 2.62 1.000 18_0019 9 0.16 -0.01 -0.04 0.29 0.06 0.07 46619 92 0 0.76 29 1.95 2.92 2.62 1.000 19_0020 12 -0.05 -0.03 -0.03 0.19 0.15 0.14 53016 83 0 0.76 29 1.95 2.93 2.61 1.000 Background pixels updated = 96.44% 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 11 0.14 -0.01 0.01 0.28 0.19 0.08 19896 54 0 0.72 27 1.96 2.95 2.62 1.000 21_0022 10 0.04 -0.07 0.05 0.16 0.12 0.15 44621 82 0 0.74 27 1.97 2.95 2.62 1.000 22_0023 6 -0.08 -0.06 0.01 0.24 0.14 0.05 38727 68 0 0.72 26 1.96 2.93 2.61 1.000 23_0024 9 0.00 -0.04 -0.00 0.07 0.10 0.14 71558 109 0 0.84 29 1.96 2.91 2.61 1.000 24_0025 10 0.02 -0.09 0.00 0.17 0.22 0.05 44860 76 0 0.78 29 1.96 2.93 2.62 1.000 25_0026 10 0.18 -0.12 -0.08 0.40 0.21 0.13 28487 59 0 0.73 31 1.95 2.92 2.61 1.000 26_0027 7 0.17 -0.03 0.02 0.24 0.13 0.12 51903 69 14 0.69 26 1.95 2.92 2.62 1.000 27_0028 14 0.24 0.16 -0.03 0.80 0.61 0.10 32016 67 7 0.77 29 1.95 2.90 2.63 1.000 28_0029 13 0.10 -0.06 -0.02 0.19 0.17 0.04 44380 78 0 0.79 30 1.94 2.87 2.63 1.000 29_0030 14 0.15 0.02 -0.04 0.34 0.21 0.08 26405 59 0 0.71 28 1.92 2.85 2.62 1.000 30_0031 7 0.36 -0.35 -0.10 0.75 0.84 0.20 41015 90 0 0.82 30 1.94 2.86 2.62 1.000 31_0032 6 0.02 0.06 -0.01 0.19 0.16 0.17 49854 84 0 0.77 27 1.94 2.87 2.62 1.000 32_0033 9 0.04 0.00 0.02 0.09 0.03 0.10 53433 98 0 0.79 28 1.94 2.87 2.62 1.000 33_0034 7 0.08 0.01 -0.05 0.10 0.05 0.06 54512 103 0 0.72 29 1.94 2.86 2.65 1.000 34_0035 12 0.07 -0.04 -0.02 0.26 0.17 0.10 24291 53 0 0.73 27 1.95 2.87 2.66 1.000 35_0036 11 0.19 -0.04 -0.00 0.33 0.23 0.12 37000 71 0 0.73 28 1.95 2.86 2.65 1.000 36_0037 8 0.09 0.07 -0.11 0.14 0.25 0.14 27274 61 0 0.68 28 1.94 2.86 2.64 1.000 37_0038 13 0.32 -0.14 -0.04 0.73 0.70 0.09 32905 77 0 0.81 30 1.95 2.86 2.64 1.000 38_0039 9 0.07 0.07 -0.08 0.14 0.08 0.12 26964 61 0 0.63 27 1.94 2.86 2.65 1.000 39_0040 10 0.12 0.02 -0.06 0.16 0.10 0.08 62681 94 0 0.77 27 1.95 2.86 2.64 1.000 Background pixels updated = 96.45% 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 9 0.16 0.10 -0.08 0.18 0.11 0.14 33051 73 0 0.76 28 1.95 2.86 2.64 1.000 41_0042 4 0.09 0.08 -0.14 0.14 0.09 0.21 49434 103 0 0.69 25 1.95 2.86 2.65 1.000 42_0043 5 -0.04 0.06 0.01 0.08 0.07 0.06 51024 96 0 0.69 27 1.94 2.85 2.65 1.000 43_0044 11 0.17 0.10 -0.03 0.44 0.16 0.12 37388 64 0 0.78 28 1.94 2.85 2.65 1.000 44_0045 16 0.08 0.11 -0.06 0.23 0.15 0.16 46155 85 0 0.77 29 1.93 2.85 2.67 1.000 45_0046 9 0.17 0.22 -0.06 0.50 0.54 0.11 19731 53 0 0.74 27 1.94 2.84 2.68 1.000 46_0047 15 0.27 -0.24 -0.13 0.57 1.06 0.23 13632 36 7 0.69 29 1.93 2.82 2.69 1.000 47_0048 6 0.03 0.03 -0.07 0.20 0.12 0.08 21538 57 0 0.77 30 1.93 2.82 2.69 1.000 48_0049 8 0.10 0.18 -0.01 0.25 0.27 0.23 42856 86 0 0.78 27 1.93 2.82 2.69 1.000 49_0050 13 0.25 0.46 -0.07 0.56 0.95 0.19 41454 77 0 0.83 28 1.94 2.83 2.70 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 (435 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) 435 0 435 4.4144 0.8601 20.115 127.354 Orientation ('UB') matrix: 0.1441850 0.0356849 -0.0037267 0.0297214 -0.0027872 0.0771436 0.0655562 -0.0772220 -0.0045065 A B C Alpha Beta Gamma Vol 6.2483 11.7489 13.0153 90.000 96.725 90.000 948.89 0.0002 0.0006 0.0006 0.000 0.002 0.000 0.09 Corrected for goodness of fit: 0.0005 0.0017 0.0018 0.000 0.005 0.000 0.26 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.910 96.121 24.150 Goniometer zeros (deg): 0.0000* 0.1483 0.0000* 0.0066 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.5398 -0.8782 0.0704 -0.2288 -0.2066 0.8559 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.17254e+04 1.05794e+04 2.88 2 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 435 435 417 Average input ESD (pix, pix, deg): 0.19190 0.16275 0.05462 Goodness of fit: 3.20458 3.03994 2.24000 Background pixels updated = 96.63% 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 6 0.13 0.12 -0.24 0.23 0.14 0.31 10323 32 0 0.73 27 1.93 2.82 2.70 1.000 51_0052 10 -0.04 0.07 -0.06 0.24 0.31 0.15 56975 108 0 0.78 30 1.94 2.82 2.70 1.000 52_0053 7 0.03 0.10 -0.07 0.11 0.12 0.09 21801 55 0 0.71 28 1.94 2.82 2.71 1.000 53_0054 7 0.01 0.11 -0.13 0.11 0.16 0.23 47537 87 0 0.81 29 1.94 2.82 2.71 1.000 54_0055 11 0.07 0.14 -0.09 0.19 0.21 0.12 16666 48 0 0.69 29 1.93 2.82 2.70 1.000 55_0056 16 0.18 -0.03 -0.13 0.43 0.36 0.18 33653 65 0 0.78 29 1.93 2.81 2.71 1.000 56_0057 12 0.33 -0.27 -0.17 1.27 1.23 0.26 32062 63 0 0.76 31 1.93 2.80 2.70 1.000 57_0058 9 0.00 0.12 -0.03 0.12 0.18 0.07 19763 58 0 0.78 30 1.93 2.80 2.71 1.000 58_0059 10 0.10 0.02 -0.05 0.21 0.12 0.14 52400 96 0 0.74 29 1.92 2.80 2.72 1.000 59_0060 6 0.01 0.02 -0.02 0.21 0.08 0.10 63823 109 0 0.64 26 1.92 2.79 2.71 1.000 Background pixels updated = 96.88% 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 7 -0.03 -0.03 -0.02 0.08 0.06 0.06 54234 99 0 0.75 26 1.92 2.79 2.71 1.000 61_0062 12 -0.03 0.10 -0.10 0.40 0.15 0.21 45156 85 0 0.73 28 1.92 2.79 2.72 1.000 62_0063 12 0.15 0.04 -0.12 0.30 0.17 0.20 67641 107 0 0.82 27 1.92 2.79 2.71 1.000 63_0064 10 -0.00 0.01 -0.03 0.15 0.08 0.07 18278 49 0 0.75 30 1.92 2.79 2.71 1.000 64_0065 14 0.09 -0.05 -0.08 0.21 0.20 0.11 53305 91 7 0.74 29 1.92 2.79 2.71 1.000 65_0066 9 0.03 -0.08 -0.03 0.17 0.16 0.07 63111 103 0 0.81 30 1.92 2.79 2.71 1.000 66_0067 9 0.11 0.01 -0.08 0.25 0.08 0.17 56424 94 0 0.73 28 1.92 2.78 2.71 1.000 67_0068 7 -0.08 -0.03 -0.07 0.22 0.13 0.13 68588 126 0 0.74 30 1.92 2.78 2.71 1.000 68_0069 10 0.03 -0.02 -0.07 0.11 0.06 0.16 46068 90 0 0.85 27 1.92 2.78 2.71 1.000 69_0070 11 0.04 -0.02 -0.06 0.14 0.10 0.09 63612 95 0 0.70 28 1.92 2.78 2.71 1.000 70_0071 7 -0.02 -0.08 -0.06 0.12 0.14 0.07 39211 85 0 0.79 31 1.92 2.78 2.71 1.000 71_0072 11 0.08 0.00 -0.02 0.21 0.08 0.09 62312 98 0 0.78 27 1.92 2.78 2.71 1.000 72_0073 8 -0.06 0.01 -0.02 0.13 0.08 0.08 21083 53 0 0.75 32 1.92 2.78 2.70 1.000 73_0074 11 0.67 -0.33 -0.18 1.32 1.03 0.27 14781 43 9 0.76 27 1.93 2.78 2.70 1.000 74_0075 15 0.23 -0.21 -0.10 0.54 0.33 0.15 59030 101 0 0.75 30 1.93 2.79 2.69 1.000 75_0076 6 0.12 -0.12 -0.11 0.22 0.27 0.13 42314 64 0 0.70 29 1.93 2.78 2.69 1.000 76_0077 3 0.03 -0.08 0.10 0.10 0.13 0.13 25148 70 0 0.89 27 1.93 2.78 2.69 1.000 77_0078 19 -0.00 -0.02 -0.06 0.17 0.15 0.11 82410 122 0 0.80 31 1.94 2.79 2.69 1.000 78_0079 7 0.10 -0.03 -0.43 0.16 0.13 1.00 37225 70 0 0.72 28 1.94 2.79 2.68 1.000 79_0080 9 0.01 -0.03 -0.13 0.17 0.10 0.23 62269 97 0 0.74 24 1.95 2.79 2.67 1.000 Background pixels updated = 96.07% 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 9 0.07 -0.07 -0.03 0.17 0.14 0.09 57420 94 0 0.82 28 1.95 2.80 2.66 1.000 81_0082 4 -0.01 -0.09 -0.02 0.11 0.13 0.04 50706 100 0 0.67 32 1.95 2.80 2.65 1.000 82_0083 7 0.08 -0.06 -0.17 0.24 0.10 0.24 29975 70 0 0.80 28 1.96 2.80 2.65 1.000 83_0084 9 0.05 0.00 -0.04 0.29 0.14 0.09 43299 73 0 0.78 30 1.96 2.80 2.65 1.000 84_0085 8 -0.14 0.01 0.01 0.63 0.38 0.12 44128 81 13 0.69 30 1.96 2.80 2.64 1.000 85_0086 14 0.10 -0.10 -0.05 0.25 0.23 0.13 40655 77 7 0.76 29 1.96 2.80 2.64 1.000 86_0087 13 0.02 -0.10 -0.07 0.14 0.18 0.10 73028 111 0 0.72 30 1.96 2.80 2.64 1.000 87_0088 10 0.21 -0.13 -0.09 0.38 0.31 0.12 31778 62 0 0.72 26 1.96 2.80 2.64 1.000 88_0089 14 0.04 0.01 -0.04 0.24 0.15 0.09 53588 87 0 0.75 28 1.96 2.80 2.63 1.000 89_0090 3 -0.03 0.01 0.04 0.07 0.05 0.05 61810 100 0 0.62 24 1.96 2.80 2.63 1.000 90_0091 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.96 2.80 2.63 1.000 91_0092 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.96 2.80 2.63 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_07_0092.sfrm I/Sigma = 98.16 Thresh = 0.020 Blend = F #Contributing = 225 InitialProfileWt = 0.000 Region 1 Sum = 59497.3; Maximum = 1155.09; FM = 0.87 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 4 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 1 4 10 12 8 4 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 3 1 1 1 1 0 2 7 22 30 17 6 2 1 1 0 0 0 1 1 1 0 0 0 1 2 2 3 2 2 1 1 0 2 9 26 32 19 7 3 1 1 0 0 1 1 1 1 0 0 0 1 2 2 2 1 1 1 1 0 3 9 19 18 9 4 2 1 1 0 1 1 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 2 7 12 9 5 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 5 7 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 2 2 2 1 1 1 0 0 !Region 1: Section 4->6 0 1 3 3 3 2 1 0 0 0 1 2 4 4 4 2 1 0 0 0 1 2 3 5 4 3 1 1 4 9 12 10 6 3 1 0 1 2 7 12 14 13 7 3 1 0 1 2 5 11 16 15 9 2 1 7 23 35 27 14 5 2 1 1 5 16 32 36 31 18 6 1 0 1 4 11 23 36 36 17 4 2 14 55 85 61 29 11 3 1 1 9 39 75 84 69 37 10 2 1 3 8 24 54 79 67 25 4 3 19 68 95 68 32 11 3 1 2 13 50 91100 79 42 12 2 1 3 11 33 69 97 77 26 4 3 18 50 56 36 18 7 3 1 2 12 40 62 66 51 26 8 1 1 3 10 28 55 70 51 17 3 3 14 30 29 18 9 4 2 1 1 8 24 35 36 25 13 4 1 0 2 6 17 33 38 25 9 2 2 8 14 13 9 5 3 2 1 1 5 10 14 15 11 6 2 1 0 1 3 7 13 15 11 4 1 0 2 4 4 3 2 1 1 0 0 1 3 4 4 3 2 1 0 0 0 1 2 3 3 3 1 0 !Region 1: Section 7->9 0 0 0 1 1 2 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 9 13 10 3 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 1 0 0 1 1 2 7 19 28 18 5 0 0 0 1 1 3 5 5 2 0 0 0 0 0 0 0 1 0 0 1 2 5 15 38 47 24 6 0 0 1 1 2 5 8 7 2 0 0 0 0 1 1 1 1 0 1 2 2 6 21 50 57 25 5 0 1 1 1 3 7 11 8 2 0 0 0 0 0 1 1 1 0 0 1 2 6 20 40 40 18 4 0 1 1 1 3 6 9 6 2 0 0 0 0 0 1 1 1 0 0 1 2 4 12 24 23 10 2 0 1 1 1 2 4 6 4 1 0 0 0 0 0 0 1 1 0 0 1 1 2 5 9 10 5 1 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 249.37 Thresh = 0.020 Blend = F #Contributing = 297 InitialProfileWt = 0.000 Region 2 Sum = 320599; Maximum = 16112; FM = 0.918 !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 0 0 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 8 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 2 0 0 0 0 0 3 15 28 15 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 3 13 18 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 7 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 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 0 0 0 1 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 3 1 0 0 0 0 0 1 2 5 4 1 0 0 0 0 1 2 6 7 3 1 0 0 0 1 6 11 6 1 0 0 0 0 1 7 19 13 4 1 0 0 0 2 6 17 17 6 1 0 0 0 3 21 44 20 3 0 0 0 0 3 26 65 38 8 1 0 0 0 3 18 48 37 10 1 0 0 1 5 36 71 38 4 0 0 0 0 4 43100 61 10 1 0 0 0 2 27 70 50 11 1 0 0 1 5 26 44 20 3 0 0 0 0 4 28 62 34 6 1 0 0 0 2 17 45 30 6 1 0 0 0 3 11 14 5 1 0 0 0 0 2 9 17 8 2 0 0 0 0 1 5 13 8 2 0 0 0 0 1 3 3 1 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 1 2 2 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 0 0 0 0 0 !Region 2: 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 0 2 4 5 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 9 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 18 15 5 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 10 23 17 5 1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 14 10 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 4 3 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 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 I/Sigma = 175.64 Thresh = 0.020 Blend = F #Contributing = 164 InitialProfileWt = 0.000 Region 3 Sum = 173402; Maximum = 8619.33; FM = 0.912 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 4 6 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 5 8 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 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 0 0 0 0 1 2 3 3 2 0 0 0 0 1 3 4 5 3 1 0 0 0 0 1 2 3 2 1 0 0 0 3 8 12 10 4 1 0 0 0 2 9 18 18 7 2 0 0 0 1 3 8 10 5 1 0 0 1 5 18 34 28 8 1 0 0 1 6 27 63 53 15 2 0 0 1 2 12 34 31 10 2 0 0 2 8 28 50 40 10 1 0 0 2 12 54100 81 22 2 0 0 1 6 30 58 51 16 2 0 0 2 8 24 32 21 5 1 0 0 2 14 49 73 52 14 1 0 0 1 8 28 46 37 12 2 0 0 1 5 11 12 6 2 0 0 0 1 8 24 31 17 5 1 0 0 1 4 15 21 14 5 1 0 0 1 2 3 3 1 1 0 0 0 1 3 8 9 4 1 0 0 0 0 2 5 7 4 2 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 8 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 6 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 63.26 Thresh = 0.020 Blend = F #Contributing = 56 InitialProfileWt = 0.002 Region 4 Sum = 31062.7; Maximum = 852.768; FM = 0.89 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 4 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 1 2 8 14 7 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 1 2 9 19 11 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 2 7 14 10 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 5 9 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 3 5 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 4: Section 4->6 0 1 3 3 2 1 0 0 0 0 1 3 4 3 2 1 0 0 0 0 2 3 3 2 1 0 0 1 4 11 14 6 2 1 1 0 0 5 14 16 11 6 3 1 0 0 2 6 9 10 7 3 1 0 1 6 23 36 20 5 2 1 0 1 7 25 40 31 14 5 2 0 1 3 10 19 24 14 5 2 0 1 6 28 56 40 13 4 1 0 1 7 32 70 73 41 13 3 1 0 3 13 33 54 40 14 3 1 1 4 21 50 45 22 8 2 1 1 5 26 73100 80 33 5 1 0 3 12 39 77 78 35 5 0 0 3 12 30 32 20 9 2 1 0 2 14 49 80 80 42 7 1 0 1 8 29 64 82 45 7 1 0 2 7 16 19 13 7 2 1 0 1 7 25 49 52 29 6 1 0 1 4 16 41 54 33 7 1 0 1 4 8 10 8 4 2 1 0 1 3 11 24 28 16 4 1 0 1 2 7 21 29 18 4 0 0 0 1 2 3 3 2 0 0 0 0 1 3 6 8 5 1 0 0 0 0 2 5 8 5 1 0 !Region 4: Section 7->9 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 1 4 6 5 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 2 5 12 11 4 2 1 0 1 1 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 1 2 6 16 20 10 2 0 0 1 1 1 2 2 2 1 0 0 0 0 1 1 0 1 0 0 0 1 2 5 14 22 14 3 0 0 1 1 1 2 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 3 10 16 12 3 0 0 0 1 1 1 2 2 1 0 0 0 0 0 1 1 0 0 0 0 1 1 2 5 9 7 2 0 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 27.12 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 5 Sum = 7582.98; Maximum = 164.962; FM = 0.874 !Region 5: Section 1->3 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 -1 1 1 0 0 1 0 1 0 0 2 1 0 0 0 1 1 0 0 2 1 0 0 1 3 2 0 0 0 0 -1 1 0 1 1 0 1 2 1 0 1 1 1 2 0 1 1 0 0 0 2 6 5 1 2 0 -1 0 1 2 1 -1 0 1 1 2 0 0 2 2 1 1 2 2 1 1 1 4 10 13 5 4 2 0 1 0 0 1 1 0 1 1 2 0 0 1 3 2 2 2 2 2 0 0 4 12 12 8 5 3 2 0 0 1 1 0 0 2 1 2 1 0 2 3 1 2 1 0 0 0 0 3 8 6 6 3 1 0 -1 0 0 1 0 1 1 1 1 1 0 1 1 2 2 1 1 0 1 1 3 1 5 5 3 3 0 0 0 0 0 -1 1 1 0 0 0 0 0 1 1 2 2 0 0 0 1 0 1 5 3 4 1 1 0 0 0 -1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 2 1 2 1 1 0 !Region 5: Section 4->6 0 0 2 3 2 0 1 1 1 0 1 4 6 5 2 1 2 1 0 0 2 5 5 3 2 1 0 0 7 13 9 5 2 1 1 0 1 11 20 18 13 6 2 2 0 0 5 10 13 13 7 3 2 1 2 18 34 25 14 7 3 1 0 3 25 49 42 29 15 9 3 0 1 9 20 26 24 17 10 3 0 3 23 60 59 38 22 8 1 1 3 28 80 90 75 48 21 7 1 1 9 29 46 53 43 24 7 1 1 17 57 65 50 33 15 5 1 2 18 69 99100 74 39 15 2 1 6 25 47 67 69 50 15 1 0 8 32 42 38 28 16 7 1 2 9 36 61 72 63 41 18 2 2 4 14 28 45 58 56 21 1 1 4 10 21 21 17 12 4 0 1 4 13 29 40 39 26 10 1 1 3 4 13 25 32 34 15 1 1 1 4 10 11 10 7 2 0 2 1 5 13 19 19 16 5 0 1 1 3 7 11 15 15 8 1 0 0 1 3 3 4 2 1 0 0 0 2 3 5 7 5 1 0 0 0 2 2 3 4 4 1 0 !Region 5: Section 7->9 0 0 1 2 2 2 2 2 1 0 0 1 1 1 1 1 1 1 0 0 2 1 1 0 0 1 0 0 3 1 4 6 5 2 3 2 1 3 1 1 2 2 1 3 2 1 2 1 0 1 1 1 2 1 0 3 3 7 9 9 6 2 1 1 3 2 3 2 2 1 2 1 1 1 1 1 0 0 0 2 1 1 1 3 9 14 19 14 4 1 0 1 1 4 3 3 3 3 1 0 0 2 2 1 0 0 2 1 0 2 4 8 16 31 33 7 0 -1 0 1 3 4 6 10 2 -1 0 0 1 1 1 1 2 0 0 1 1 3 6 9 25 41 13 1 0 0 1 2 3 6 12 5 1 0 0 1 2 2 1 3 2 1 1 1 1 1 6 11 26 13 1 1 1 2 1 2 4 8 4 0 1 1 2 2 1 1 1 1 0 0 1 2 0 1 5 8 6 1 0 1 3 1 1 3 2 2 1 0 1 2 1 1 2 1 1 0 0 0 1 0 1 1 2 1 0 0 0 1 0 1 2 1 0 0 0 0 1 0 0 1 1 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.07595; Maximum = 0.0246007; FM = 0.906 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 3 4 3 2 1 1 0 0 0 0 1 1 0 1 1 0 0 1 1 2 2 1 1 1 0 0 1 5 8 8 4 2 1 0 0 0 1 1 0 0 1 1 1 0 1 2 2 2 1 1 1 1 1 2 7 13 16 8 4 2 1 1 0 0 1 0 0 1 1 1 0 0 1 3 2 1 2 1 1 0 1 6 15 17 9 4 2 2 1 0 1 1 0 0 1 0 1 0 0 1 2 1 1 1 1 0 0 1 4 9 9 5 3 1 1 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 0 0 1 3 3 4 3 2 2 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 0 1 1 2 3 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 1 1 1 1 0 0 !Region 6: Section 4->6 0 1 2 2 2 1 1 1 0 0 1 3 4 4 3 2 1 0 0 0 1 3 3 3 2 1 0 1 6 10 9 7 4 2 1 0 1 6 11 13 14 12 8 3 0 0 3 5 9 12 12 9 4 1 2 13 24 22 17 10 5 3 1 2 13 28 31 35 33 22 12 2 1 4 11 17 27 34 25 14 3 3 17 42 51 37 22 10 4 1 2 16 47 69 83 65 39 17 3 1 5 17 36 63 63 45 21 4 2 14 45 59 45 27 12 5 1 2 13 48 89100 72 43 16 2 1 5 18 48 74 70 53 20 3 1 9 28 37 29 19 10 4 1 1 8 34 64 63 51 30 12 1 1 4 15 37 46 50 41 16 2 1 5 12 17 15 11 7 2 0 1 5 17 30 31 27 16 6 1 1 3 9 18 24 26 22 10 2 1 2 5 7 7 6 4 2 0 1 2 6 11 13 12 9 3 0 1 1 4 7 10 12 11 6 1 0 0 1 2 2 2 2 0 0 0 0 2 3 3 4 3 1 0 0 0 1 2 3 3 3 1 0 !Region 6: Section 7->9 0 0 0 1 1 2 1 1 0 0 0 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 2 1 2 4 5 4 3 1 1 2 1 1 1 2 1 2 1 0 1 0 0 0 1 1 1 0 0 1 2 5 7 11 10 7 2 1 2 1 2 2 2 2 3 2 0 1 0 1 0 0 0 1 1 0 1 2 6 13 21 20 12 4 0 1 1 2 2 3 4 5 3 0 0 1 1 0 0 0 1 1 0 2 3 7 16 27 30 16 4 0 1 1 2 3 5 8 7 3 0 0 1 1 0 1 1 1 0 1 1 3 7 11 20 30 16 3 0 1 1 2 2 4 10 8 3 0 0 0 1 1 1 1 1 0 0 1 2 3 7 11 19 12 2 0 1 1 1 2 3 7 6 1 0 1 1 1 1 1 1 1 0 0 1 2 2 3 6 8 7 2 0 0 2 1 1 3 3 3 1 0 0 1 1 1 1 1 1 0 0 0 1 0 1 2 3 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 I/Sigma = 72.57 Thresh = 0.020 Blend = F #Contributing = 27 InitialProfileWt = 0.035 Region 7 Sum = 29492.8; Maximum = 730.833; FM = 0.865 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 1 0 0 2 5 5 4 3 2 1 1 0 0 0 0 1 0 0 0 0 0 1 2 2 2 1 1 1 1 0 3 8 9 9 6 3 1 1 0 0 0 0 0 0 0 1 1 0 1 2 3 2 1 1 1 1 0 3 9 14 16 9 3 2 2 1 0 0 0 0 0 0 0 0 0 1 1 2 3 1 1 1 1 0 2 7 15 18 8 4 2 2 1 0 0 0 0 0 1 0 0 0 0 1 1 2 1 1 1 1 0 1 4 8 9 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 3 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 !Region 7: Section 4->6 0 2 2 2 2 2 1 0 0 0 1 2 2 4 4 2 0 0 0 0 1 1 2 3 2 0 0 1 5 6 7 8 6 4 1 0 1 3 5 9 16 18 13 5 1 0 1 2 6 11 17 13 5 1 3 10 15 17 17 12 7 4 1 1 5 12 22 39 50 34 22 4 1 1 5 12 31 48 36 23 5 3 13 25 35 31 20 13 6 1 2 8 21 49 89 80 56 29 4 1 3 9 29 73 77 59 32 6 2 11 29 46 35 20 11 5 1 2 8 30 80100 68 46 18 3 1 4 14 52 81 65 51 24 4 2 7 21 30 20 12 6 2 1 1 6 31 66 55 41 22 7 1 1 3 18 47 45 39 27 12 3 1 4 9 11 8 5 3 1 0 1 5 19 29 23 17 9 4 1 0 3 14 23 20 18 12 7 2 0 2 3 4 3 2 2 1 0 0 2 6 9 8 6 4 2 0 0 1 5 8 8 8 7 4 1 0 0 1 1 1 1 1 0 0 0 0 1 2 2 2 2 0 0 0 0 1 2 3 3 3 2 1 !Region 7: 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 1 1 1 1 2 4 4 2 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 3 6 11 11 8 3 0 1 1 1 1 2 2 3 2 0 0 0 0 0 0 0 0 0 0 1 2 4 13 18 20 16 6 0 1 1 1 2 2 4 7 4 0 0 0 0 0 0 0 1 1 1 2 2 7 15 19 22 21 7 0 1 1 2 2 3 7 12 5 0 0 0 0 0 0 1 1 1 0 1 3 7 10 13 18 18 6 0 1 1 1 2 3 8 11 4 0 0 0 0 0 0 0 1 0 0 1 3 4 6 8 12 12 4 0 1 1 1 2 2 6 7 3 0 0 0 0 0 0 0 0 0 0 0 2 3 4 6 8 8 3 0 0 1 1 2 3 4 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 3 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 94.50 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.002 Region 8 Sum = 50111; Maximum = 1612.43; FM = 0.849 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 4 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 4 6 6 5 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 2 6 9 9 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 6 6 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 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 1 1 2 2 2 1 0 0 0 0 1 2 4 5 3 1 0 0 0 0 1 2 3 4 2 0 0 1 3 5 8 8 5 2 0 0 1 2 7 17 20 17 6 1 0 0 1 3 9 15 18 10 2 1 3 6 13 23 19 10 3 0 0 2 5 22 53 53 32 9 1 0 1 2 9 28 42 36 16 3 1 5 15 34 44 27 9 2 1 1 3 14 61100 77 33 8 1 0 1 5 26 55 64 40 15 3 2 7 25 49 41 18 5 1 0 1 5 28 88 94 54 19 4 1 0 2 10 39 56 48 25 8 2 2 8 22 34 20 7 2 1 0 1 6 30 65 48 22 7 2 1 0 2 11 30 31 21 10 4 1 1 6 12 15 7 3 1 1 0 1 4 18 30 17 8 3 1 0 0 1 8 15 11 7 3 2 1 1 3 5 5 2 1 1 0 0 0 2 7 9 6 3 1 1 0 0 1 3 5 4 3 2 1 0 0 0 1 1 1 0 0 0 0 0 0 2 3 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 3 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 10 11 3 0 0 0 0 1 1 3 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 4 12 20 15 5 0 0 0 0 1 2 5 6 3 0 0 0 0 0 0 0 0 0 0 1 1 2 7 21 25 15 4 0 0 0 1 1 4 7 7 3 0 0 0 0 0 0 1 1 1 0 1 1 2 8 18 18 10 3 0 0 0 1 1 4 6 5 2 0 0 0 0 0 0 0 1 1 0 0 1 2 6 9 7 5 2 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 1 0 0 0 1 2 3 3 3 2 1 0 0 0 0 1 1 1 2 1 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 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 I/Sigma = 272.31 Thresh = 0.020 Blend = F #Contributing = 170 InitialProfileWt = 0.000 Region 9 Sum = 316932; Maximum = 16948.6; FM = 0.89 !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 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 6 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 3 10 14 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 1 2 8 12 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 4 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 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 1 1 0 0 0 !Region 9: Section 4->6 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 2 1 0 0 0 1 2 3 2 1 0 0 0 0 1 3 5 6 4 1 0 0 0 1 4 8 10 8 3 1 0 0 1 3 10 12 4 1 0 0 0 1 5 16 24 11 3 0 0 0 1 6 18 24 17 5 1 0 0 1 5 28 46 13 1 0 0 0 1 6 38 69 25 3 0 0 0 1 5 28 46 25 5 1 0 0 1 6 38 76 31 2 0 0 0 0 5 45100 44 4 0 0 0 0 2 25 54 27 4 0 0 0 1 5 24 53 28 5 1 0 0 0 3 24 62 35 6 1 0 0 0 1 9 27 15 3 0 0 0 1 3 8 15 10 4 1 0 0 0 2 6 14 11 4 1 0 0 0 1 2 5 4 2 0 0 0 0 1 3 4 3 2 1 0 0 0 1 2 2 2 1 1 0 0 0 0 0 1 1 1 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 !Region 9: Section 7->9 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 5 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 12 9 4 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 12 18 12 4 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 9 18 10 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 9 Total topped/rescanned pixels: 168 Minimum pixel ceiling(frame): 163809(neal054_07_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_07_0001.sfrm) Total spots predicted: 981 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 72* Outside frame limits: 50* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 9* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 850 Total spot components written: 850 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 850 Twin overlaps written: 0 Average Intensity: 42826.18 Average I/sigma: 109.05 % over "strong" threshold: 93.29 % less than 2 sigma: 1.29 % which spanned more than 1 frame: 83.06 Average X,Y,Z positional errors: 0.09 -0.02 -0.05 RMS X,Y,Z positional errors: 0.38 0.38 0.17 % X,Y,Z more than 0.5 pixel: 6.35 3.76 1.76 % X,Y,Z more than 1.0 pixel: 2.35 1.29 0.12 Avg % profile volume populated: 97.84 Avg % profile volume integrated: 24.30 Avg % profile missing I: 2.12 Avg % profile missing volume: 2.16 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: 8.52 9.88 3.06 Average spot-shape correlation: 0.740 RMS spot-shape correlation: 0.758 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.104 0.003 3 1.0 2.0 0.323 0.098 8 2.0 4.0 0.499 0.125 9 4.0 8.0 0.631 0.137 23 8.0 16.0 0.750 0.123 56 16.0 32.0 0.764 0.135 123 32.0 64.0 0.738 0.158 246 64.0 128.0 0.767 0.155 235 128.0 256.0 0.824 0.120 147 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): 114.359 Elapsed since INTEGRATE command (sec): 112.883 Integration time, this run (sec): 4.933 Time in unit-cell LS (sec): 0.021 Per-frame integration time (sec): 0.054 Integration completed normally ======================== 10/26/2021 10:23:47 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1743337 will be applied to LS-fit intensities Number of spots read: 850 Number of LS-fit intensities scaled: 51 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 850 Sorting Reflection File ============================== 10/26/2021 10:23:47 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_07.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... 850 spot components in 850 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 850 spot components in 850 spots written to file /smb/isengard/data/neal054/work/neal054_07.raw Computing Reflection File Statistics ========== 10/26/2021 10:23:47 Integration of neal054 ................................................................................... Statistics for reflections in neal054_07.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 850 Number of reflection records read = 850 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 850 Number of spot components used = 850 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_07.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 6.248 11.749 13.015 90.000 96.725 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 32.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 64.000 11 3 11 3 0.0 7890.402 37.53 11.40 0.162 -0.001 6.1 0.000 0.324 0.00 .94-.10-.11 1.8 1.3 .19 96.000 38 12 32 18 5.3 6191.960 31.64 12.05 0.155 0.014 3.8 0.000 0.302 0.00 .30-.15-.03 1.0 .93 .27 128.000 68 9 62 15 4.4 9584.403 40.88 12.59 0.133 -0.005 3.1 0.000 0.276 0.00 .32-.04-.14 .56 .27 .40 160.000 85 5 82 8 0.0 14544.129 47.98 13.26 0.051 -0.002 3.0 0.000 0.108 0.00 .21 .07-.10 .35 .43 .20 192.000 123 6 119 10 1.6 18949.845 54.29 14.51 0.134 0.001 5.3 0.000 0.242 0.00 .14-.02-.06 .28 .39 .14 224.000 145 6 139 12 0.7 28833.632 69.72 15.43 0.046 0.000 2.7 0.000 0.089 0.00 .12-.02-.06 .17 .44 .12 256.000 121 4 119 6 0.8 39873.038 89.75 15.93 0.019 0.000 3.0 0.000 0.025 0.00-.08 .01-.04 .11 .14 .09 288.000 102 3 101 8 1.0 65938.366 130.81 16.06 0.071 -0.002 9.1 0.000 0.064 0.00-.06-.00-.02 .08 .10 .07 320.000 64 2 63 10 1.6 90725.189 174.95 16.78 0.140 0.000 18.1 0.000 0.184 0.00-.03-.01-.02 .06 .10 .08 352.000 46 1 45 12 0.0 102324.08 211.90 16.09 0.119 0.003 22.3 0.000 0.091 0.00-.01-.03 .00 .08 .12 .07 384.000 21 1 21 7 0.0 138264.13 275.32 14.79 0.087 -0.009 15.6 0.000 0.101 0.00-.03-.04 .01 .11 .10 .08 416.000 14 0 14 5 0.0 104961.67 271.69 13.83 0.097 0.008 17.4 0.000 0.000 0.00-.06 .01-.03 .13 .20 .12 448.000 7 0 7 2 0.0 69255.769 273.26 13.03 0.180 0.001 7.7 0.000 0.000 0.00-.03-.09-.01 .17 .15 .08 480.000 5 0 5 2 0.0 152693.90 377.99 12.82 0.080 0.011 13.1 0.000 0.000 0.00-.24-.16-.00 .33 .18 .09 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 26 8 26 8 0.0 29974.674 85.48 12.05 0.038 -0.003 4.5 0.000 0.077 0.00 .36 .37-.14 .79 .90 .19 32.000 53 11 53 11 0.0 60085.974 151.60 12.70 0.057 -0.005 5.3 0.000 0.114 0.00 .13-.02-.06 .32 .29 .12 64.000 76 17 76 17 1.3 46701.117 119.81 13.83 0.074 0.007 6.7 0.000 0.148 0.00 .08-.03-.06 .22 .17 .13 96.000 105 19 105 19 0.0 49913.001 116.94 15.24 0.055 -0.000 3.9 0.000 0.111 0.00 .06-.01-.06 .19 .11 .11 128.000 127 13 127 14 2.4 46573.546 107.71 16.42 0.102 -0.001 4.0 0.000 0.192 0.00 .06 .00-.07 .25 .09 .27 160.000 135 7 135 10 2.2 48753.928 111.01 16.72 0.081 0.000 4.7 0.000 0.240 0.00 .04 .02-.05 .27 .07 .17 192.000 120 5 120 17 0.8 35831.796 92.94 15.69 0.145 0.002 12.4 0.000 0.301 0.00 .01 .05-.02 .21 .10 .14 224.000 87 0 87 4 0.0 34897.120 97.71 14.26 0.156 -0.017 21.0 0.000 0.000 0.00 .05 .01-.04 .17 .13 .13 256.000 61 0 61 8 4.9 30650.463 99.44 13.04 0.159 0.011 24.7 0.000 0.000 0.00 .11-.07-.04 .47 .31 .15 288.000 39 0 39 6 0.0 36703.773 106.67 12.37 0.092 0.001 15.2 0.000 0.000 0.00 .09-.03-.02 .25 .26 .08 320.000 21 0 21 4 0.0 24717.549 81.63 11.82 0.104 0.037 13.2 0.000 0.000 0.00 .86-1.1-.17 1.6 2.0 .29 352.000 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_07.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 32 0 32 0 0.0 23907.629 68.56 14.23 0.000 0.000 0.0 0.000 0.000 0.00 .02-.00-.04 .16 .15 .11 30.000 94 0 94 1 2.1 32058.526 80.01 14.63 0.105 -0.004 16.8 0.000 0.000 0.00 .04 .02-.03 .16 .15 .09 60.000 147 0 146 8 0.7 35328.556 88.53 15.64 0.137 0.006 15.4 0.000 0.000 0.00 .04-.02-.04 .23 .55 .13 90.000 155 0 154 8 1.3 45332.376 104.83 16.17 0.183 -0.002 24.8 0.000 0.000 0.00 .06-.01-.06 .20 .15 .15 120.000 140 16 139 26 1.4 46224.332 114.02 15.49 0.105 -0.006 8.6 0.000 0.135 0.00 .07-.01-.05 .33 .17 .15 150.000 116 23 115 28 3.4 42143.298 114.03 14.36 0.072 -0.002 4.6 0.000 0.131 0.00 .18-.10-.07 .64 .53 .29 180.000 77 19 77 24 0.0 55764.545 144.28 13.63 0.081 0.012 7.9 0.000 0.141 0.00 .08-.09-.05 .50 .41 .13 210.000 52 11 52 13 0.0 45071.895 129.28 12.63 0.058 0.005 5.7 0.000 0.092 0.00 .14 .02-.08 .30 .23 .14 240.000 27 6 27 7 0.0 63246.700 173.54 12.39 0.057 -0.012 7.2 0.000 0.115 0.00 .23 .19-.09 .54 .71 .18 270.000 10 3 10 3 0.0 70306.752 250.23 11.91 0.162 -0.000 6.1 0.000 0.324 0.00 .44 .39-.12 1.1 .96 .18 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 68 0 68 0 1.5 13310.548 49.44 12.28 0.000 0.000 0.0 0.000 0.000 0.00 .46-.45-.10 .99 1.2 .21 2.000 53 0 53 18 3.8 55001.445 143.78 13.04 0.128 0.014 19.0 0.000 0.000 0.00-.07 .02 .01 .14 .20 .10 3.000 402 33 369 66 1.7 19444.452 57.45 14.31 0.096 0.000 3.7 0.000 0.193 0.00 .16 .05-.07 .36 .27 .22 4.000 327 7 319 34 0.3 75748.820 154.76 16.36 0.091 -0.002 12.8 0.000 0.098 0.00-.05-.01-.03 .09 .11 .08 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 290 0 288 10 1.0 34012.548 85.37 15.16 0.144 -0.002 18.5 0.000 0.000 0.00 .04-.00-.04 .20 .40 .12 2.000 35 0 30 18 0.0 91784.947 230.15 14.72 0.138 0.001 20.3 0.000 0.000 0.00-.04-.00 .00 .16 .10 .09 3.000 7 0 7 4 0.0 60478.343 148.97 12.16 0.112 0.021 15.9 0.000 0.000 0.00-.04 .05 .01 .12 .19 .05 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 13 0 13 0 0.0 10388.612 40.41 11.68 0.000 0.000 0.0 0.000 0.000 0.00 1.2-1.2-.16 1.9 1.8 .22 6.000 34 3 34 3 2.9 7497.446 36.05 12.15 0.245 -0.009 3.8 0.000 0.490 0.00 .24-.11-.02 .68 .39 .24 7.000 141 23 126 38 2.8 13067.879 47.02 13.33 0.118 -0.001 3.8 0.000 0.221 0.00 .23 .09-.12 .51 .30 .32 8.000 221 20 206 35 1.4 39989.232 91.22 15.14 0.051 0.000 3.9 0.000 0.108 0.00 .06-.00-.06 .21 .27 .10 9.000 109 2 107 10 0.0 108597.35 211.86 16.90 0.062 0.000 11.8 0.000 0.111 0.00-.04-.04-.01 .08 .11 .07 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.910 43 13 43 13 0.0 43083.669 106.26 14.49 0.055 0.006 2.9 0.000 0.109 0.00-.00-.07-.02 .22 .77 .19 6.253 40 9 40 11 5.0 40191.757 109.73 14.40 0.054 0.004 4.3 0.000 0.098 0.00 .02 .01-.01 .27 .10 .11 10.596 49 15 49 16 4.1 41612.350 123.69 14.76 0.063 -0.016 5.0 0.000 0.120 0.00 .09-.02-.02 .42 .17 .15 14.939 43 10 43 10 0.0 42701.260 104.59 14.62 0.092 0.001 5.0 0.000 0.184 0.00-.01-.04 .00 .21 .15 .12 19.282 37 13 37 13 0.0 43166.549 111.58 14.70 0.078 0.001 7.3 0.000 0.157 0.00 .04-.04 .02 .20 .14 .12 23.625 51 14 51 15 3.9 40235.709 111.92 14.64 0.056 -0.002 4.3 0.000 0.091 0.00 .15-.01-.02 .48 .36 .10 27.968 38 6 38 6 0.0 35821.295 90.93 14.65 0.093 0.001 5.2 0.000 0.186 0.00 .14-.05-.03 .39 .39 .13 32.311 41 0 41 0 0.0 37458.807 98.05 14.82 0.000 0.000 0.0 0.000 0.000 0.00 .10-.01-.03 .23 .19 .11 36.654 40 0 40 2 0.0 37748.602 92.51 14.82 0.235 -0.009 18.5 0.000 0.000 0.00 .19 .00-.07 .44 .41 .13 40.997 44 0 44 0 0.0 40310.607 109.74 15.02 0.000 0.000 0.0 0.000 0.000 0.00 .10 .12-.05 .35 .27 .12 45.340 45 0 45 1 2.2 27718.487 79.92 14.86 0.350 -0.024 58.1 0.000 0.000 0.00 .20 .10-.10 .47 .81 .23 49.683 34 0 34 1 0.0 35960.686 99.33 15.00 0.146 -0.008 21.9 0.000 0.000 0.00 .02 .10-.09 .18 .23 .15 54.026 51 0 50 3 0.0 32784.187 93.28 14.63 0.123 -0.016 15.4 0.000 0.000 0.00 .16-.04-.10 .67 .64 .18 58.369 38 0 38 4 0.0 55897.093 137.26 15.16 0.108 0.009 19.8 0.000 0.000 0.00 .03 .04-.08 .29 .13 .17 62.712 45 0 45 3 2.2 50250.395 116.31 15.22 0.183 -0.015 19.8 0.000 0.000 0.00 .06-.02-.06 .20 .14 .12 67.055 42 0 42 3 0.0 55633.101 124.74 15.53 0.123 0.014 28.5 0.000 0.000 0.00 .02-.04-.05 .17 .11 .11 71.398 41 0 41 3 2.4 35933.745 98.93 14.67 0.108 -0.003 7.4 0.000 0.000 0.00 .28-.18-.17 .77 .58 .45 75.741 44 0 44 3 0.0 65967.359 125.83 14.76 0.106 0.000 14.9 0.000 0.000 0.00 .03-.04-.06 .16 .14 .14 80.084 30 0 30 2 0.0 41146.204 98.87 14.65 0.084 0.013 12.7 0.000 0.000 0.00 .02-.01-.07 .41 .23 .14 84.427 54 0 54 9 3.7 51246.589 121.06 15.58 0.136 0.023 15.1 0.000 0.000 0.00 .06-.08-.05 .23 .21 .11 88.770 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 95 27 91 32 2.1 39733.516 104.89 14.65 0.082 -0.003 5.9 0.000 0.152 0.00 .04-.04 .00 .34 .16 .14 10.000 95 18 92 22 2.1 39452.250 106.10 14.65 0.063 -0.001 4.5 0.000 0.096 0.00 .14-.03-.02 .43 .36 .11 20.000 92 0 92 2 0.0 36151.078 92.22 14.98 0.235 -0.004 18.5 0.000 0.000 0.00 .13 .01-.05 .33 .30 .11 30.000 99 0 99 2 1.0 34029.902 94.68 14.83 0.263 -0.012 40.0 0.000 0.000 0.00 .13 .11-.08 .40 .59 .19 40.000 103 0 101 7 0.0 41093.335 111.48 14.83 0.114 -0.002 17.9 0.000 0.000 0.00 .10 .01-.09 .51 .46 .17 50.000 101 0 99 9 1.0 47858.584 113.57 15.26 0.140 -0.001 18.6 0.000 0.000 0.00 .10-.06-.07 .47 .36 .14 60.000 86 0 85 5 1.2 55208.328 118.46 14.76 0.096 0.003 14.0 0.000 0.000 0.00 .08-.07-.10 .29 .19 .32 70.000 65 0 65 9 3.1 50743.448 119.95 15.35 0.136 0.019 15.1 0.000 0.000 0.00 .05-.06-.05 .32 .23 .11 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 8 0 8 0 0.0 71091.300 163.05 14.33 0.000 0.000 0.0 0.000 0.000 0.00 .14-.59-.11 .37 1.8 .30 350.000 106 26 104 30 1.9 42527.538 112.34 14.61 0.053 0.000 3.9 0.000 0.106 0.00 .01 .01-.01 .22 .11 .11 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 4.960 48 14 48 14 0.0 39306.783 101.88 14.45 0.057 0.005 3.0 0.000 0.114 0.00 .00-.07-.02 .21 .73 .18 5.020 41 8 41 10 4.9 52074.939 126.92 14.53 0.050 0.004 4.2 0.000 0.090 0.00 .02 .02-.01 .26 .09 .09 5.080 47 16 47 17 4.3 31893.601 106.49 14.70 0.066 -0.022 5.2 0.000 0.125 0.00 .07-.03-.00 .44 .19 .16 5.140 46 11 46 11 0.0 43516.458 104.43 14.70 0.099 0.000 5.1 0.000 0.198 0.00 .02-.05-.01 .18 .12 .11 5.200 30 11 30 11 0.0 47001.177 118.95 14.63 0.071 0.004 7.2 0.000 0.143 0.00 .03-.03 .01 .22 .15 .13 5.260 45 13 45 14 4.4 36961.117 103.07 14.64 0.055 -0.003 4.4 0.000 0.088 0.00 .16-.01-.02 .50 .38 .10 5.320 41 7 41 7 0.0 41755.646 104.63 14.75 0.096 0.001 4.9 0.000 0.192 0.00 .14-.05-.03 .38 .38 .12 5.380 40 0 40 0 0.0 34454.575 95.19 14.63 0.000 0.000 0.0 0.000 0.000 0.00 .11-.01-.03 .24 .19 .11 5.440 43 0 43 2 0.0 39502.246 93.96 14.91 0.235 -0.008 18.5 0.000 0.000 0.00 .17-.00-.06 .42 .39 .11 5.500 51 0 51 0 2.0 35394.441 103.51 14.78 0.000 0.000 0.0 0.000 0.000 0.00 .15 .02-.07 .44 .63 .17 5.560 41 0 41 1 0.0 30459.968 82.26 15.11 0.350 -0.024 58.1 0.000 0.000 0.00 .15 .22-.09 .37 .56 .21 5.620 36 0 36 1 0.0 35229.751 96.61 15.04 0.146 -0.007 21.9 0.000 0.000 0.00 .03 .11-.09 .18 .22 .15 5.680 49 0 48 3 0.0 34556.070 96.53 14.69 0.123 -0.016 15.4 0.000 0.000 0.00 .15-.05-.10 .68 .65 .18 5.740 34 0 34 3 0.0 59268.325 143.77 15.04 0.106 0.010 23.1 0.000 0.000 0.00 .04 .04-.08 .31 .14 .18 5.800 44 0 43 3 2.3 46100.999 111.68 15.08 0.158 0.000 8.2 0.000 0.000 0.00 .06-.02-.05 .20 .15 .11 5.860 40 0 40 3 0.0 53336.962 119.91 15.65 0.146 -0.018 29.4 0.000 0.000 0.00 .01-.03-.06 .16 .10 .12 5.920 44 0 44 4 2.3 43520.984 112.28 14.76 0.133 0.016 16.1 0.000 0.000 0.00 .26-.17-.09 .74 .56 .17 5.980 42 0 42 3 0.0 64917.114 127.03 14.74 0.106 0.000 14.9 0.000 0.000 0.00 .03-.04-.13 .17 .14 .43 6.040 30 0 30 2 0.0 41442.871 96.77 14.85 0.084 0.013 12.7 0.000 0.000 0.00 .06-.05-.06 .23 .12 .14 6.100 58 0 58 9 3.4 50773.433 119.90 15.43 0.136 0.021 15.1 0.000 0.000 0.00 .04-.05-.05 .33 .24 .11 6.160 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 8.000 850 40 791 118 1.3 42831.444 108.78 14.86 0.102 0.000 8.7 0.000 0.129 0.00 .09-.02-.05 .38 .38 .17 9.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Correl # 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 0.100 4 2 4 2100.0 56.562 0.54 13.42 2.197 -1.414 1.7 0.000 4.394 0.00 .75-.07-.22 1.3 .11 .36 0.200 3 1 3 1 66.7 275.669 2.81 14.44 0.455 -0.097 0.8 0.000 0.909 0.00 .20-.31-.10 .31 .43 .22 0.300 21 2 21 2 19.0 24968.331 68.46 16.15 0.416 -0.000 0.7 0.000 0.833 0.00 .11-.01-.09 .49 .19 .13 0.400 50 2 50 2 0.0 28362.855 71.97 16.13 0.188 -0.000 1.0 0.000 0.376 0.00 .04 .01-.06 .16 .10 .10 0.500 90 7 89 9 1.1 31693.023 83.28 15.39 0.062 0.000 2.4 0.000 0.079 0.00 .08-.02-.08 .28 .55 .15 0.600 140 11 139 17 0.0 37290.274 95.23 15.32 0.092 -0.003 4.8 0.000 0.155 0.00 .06-.03-.06 .26 .37 .15 0.700 153 18 150 30 0.0 34193.353 96.83 14.81 0.129 0.010 8.7 0.000 0.239 0.00 .08-.04-.02 .32 .31 .13 0.800 281 14 276 33 0.0 46730.531 114.47 14.35 0.122 -0.007 11.9 0.000 0.103 0.00 .12 .01-.05 .51 .45 .22 0.900 108 11 105 22 0.0 74327.074 164.51 14.43 0.077 0.007 11.7 0.000 0.102 0.00 .03-.03-.05 .19 .22 .13 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 836 40 780 115 1.3 43196.727 109.42 14.91 0.102 -0.000 8.7 0.000 0.129 0.00 .06 .00-.05 .27 .18 .16 0.050 3 0 3 0 0.0 48118.867 122.70 11.83 0.000 0.000 0.0 0.000 0.000 0.00 .88-.83-.10 1.5 1.4 .16 0.100 3 1 3 2 0.0 19498.266 68.50 11.69 0.079 0.073 6.1 0.000 0.206 0.00 1.5-.97-.18 2.3 1.9 .24 0.150 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.250 2 0 2 0 0.0 23015.899 58.40 11.77 0.000 0.000 0.0 0.000 0.000 0.00 1.0-.78-.21 1.4 1.6 .22 0.300 1 0 1 0 0.0 9572.700 31.03 11.82 0.000 0.000 0.0 0.000 0.000 0.00 .94-1.1-.20 .94 1.1 .20 0.350 1 0 1 0 0.0 645.321 4.04 11.88 0.000 0.000 0.0 0.000 0.000 0.00 2.1-4.1-.72 2.1 4.1 .72 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 2 1 2 1 0.0 8076.850 26.24 11.41 0.218 0.141 7.2 0.000 0.437 0.00 2.4 2.8-.45 2.5 2.8 .47 0.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.550 2 0 2 0 0.0 9504.400 25.76 11.66 0.000 0.000 0.0 0.000 0.000 0.00 2.7-4.6-.66 3.1 4.6 .68 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_07.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 46 6 45 8 8.7 41786.963 114.33 14.11 0.043 0.005 4.5 0.000 0.021 0.00 .08 .01-.06 .30 .19 .16 0.050 34 3 34 5 0.0 33029.306 94.38 14.58 0.102 0.003 7.7 0.000 0.167 0.00 .09-.04-.03 .36 .23 .20 0.100 33 3 33 4 3.0 30833.491 91.87 13.93 0.145 -0.001 5.6 0.000 0.382 0.00 .21-.11-.05 .74 .59 .16 0.150 42 3 42 5 0.0 37460.929 110.60 14.58 0.064 -0.013 10.7 0.000 0.115 0.00 .37-.23-.09 .92 1.0 .22 0.200 38 6 38 7 0.0 31394.971 82.31 14.31 0.076 -0.008 4.4 0.000 0.152 0.00 .15-.14-.09 .35 .86 .21 0.250 42 8 42 9 2.4 56445.027 127.55 15.00 0.075 0.020 9.1 0.000 0.111 0.00 .13 .01-.04 .42 .14 .17 0.300 51 6 50 9 0.0 41008.363 112.07 14.35 0.088 0.011 7.2 0.000 0.189 0.00 .05-.01-.01 .27 .20 .13 0.350 51 7 51 9 0.0 49896.580 113.94 15.11 0.061 -0.007 5.8 0.000 0.092 0.00 .09-.05-.02 .32 .35 .11 0.400 55 2 55 5 1.8 63695.452 132.56 15.21 0.167 -0.005 16.7 0.000 0.281 0.00 .05-.02-.02 .17 .16 .13 0.450 59 6 59 10 0.0 43955.983 105.87 14.97 0.103 0.003 9.2 0.000 0.161 0.00 .07 .03-.00 .19 .16 .08 0.500 52 1 52 3 0.0 51598.198 117.91 15.47 0.239 -0.005 15.0 0.000 0.206 0.00 .04 .05-.04 .15 .12 .08 0.550 44 0 43 5 0.0 68584.846 141.78 15.69 0.132 0.004 29.1 0.000 0.000 0.00-.01-.00-.07 .18 .12 .12 0.600 49 5 49 5 2.0 34006.049 94.34 14.93 0.071 0.002 2.4 0.000 0.141 0.00 .11 .09-.07 .49 .36 .14 0.650 40 1 40 3 0.0 43687.085 101.89 15.36 0.160 0.009 20.5 0.000 0.264 0.00 .05 .03-.09 .24 .12 .13 0.700 50 6 50 9 0.0 46458.740 118.85 15.09 0.106 -0.010 7.6 0.000 0.074 0.00-.01-.01-.06 .18 .14 .13 0.750 33 4 33 5 0.0 30890.339 82.16 15.28 0.095 0.004 6.0 0.000 0.164 0.00 .04-.03-.07 .15 .16 .11 0.800 32 4 32 4 0.0 30598.521 88.91 14.83 0.133 0.002 2.7 0.000 0.266 0.00-.02 .03-.04 .45 .26 .14 0.850 28 4 28 8 0.0 30920.418 90.28 14.20 0.115 -0.002 4.7 0.000 0.341 0.00 .14-.01-.17 .32 .14 .51 0.900 42 3 42 4 7.1 24608.122 79.55 14.72 0.117 -0.008 8.3 0.000 0.154 0.00 .14 .04-.06 .41 .55 .14 0.950 29 0 29 1 0.0 39267.541 101.01 14.71 0.131 -0.011 20.7 0.000 0.000 0.00 .05-.01-.08 .18 .13 .16 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.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 1966.623 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3933.246 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7866.492 102 7 99 10 4.9 5118.993 23.62 15.49 0.080 0.002 1.0 0.000 0.162 0.00 .15 .02-.08 .38 .11 .31 15732.984 340 30 326 49 1.8 15903.306 50.96 14.58 0.129 -0.001 4.3 0.000 0.231 0.00 .08 .01-.05 .24 .16 .16 31465.969 234 15 231 23 0.0 39077.986 89.57 14.61 0.067 -0.001 4.7 0.000 0.143 0.00 .10-.01-.06 .41 .46 .12 62931.938 108 5 102 23 0.0 81566.224 150.07 15.26 0.119 -0.003 16.3 0.000 0.121 0.00 .11-.11-.04 .68 .78 .13 125863.875 45 0 44 8 0.0 154441.19 231.64 15.94 0.114 -0.005 21.8 0.000 0.000 0.00-.05-.03-.01 .11 .10 .08 251727.750 20 1 19 5 0.0 255489.05 343.77 14.73 0.080 0.014 28.0 0.000 0.091 0.00-.07-.09-.00 .18 .14 .07 503455.500 1 0 1 0 0.0 464431.00 579.09 12.33 0.000 0.000 0.0 0.000 0.000 0.00 .11-.19-.03 .11 .19 .03 1006911.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.047 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.093 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.140 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 8.186 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.233 98 16 95 23 0.0 15740.841 62.33 11.89 0.109 0.008 5.9 0.000 0.249 0.00 .41-.15-.08 .97 1.1 .22 12.280 298 34 290 56 2.3 33915.791 100.92 13.21 0.099 0.004 8.1 0.000 0.128 0.00 .11-.01-.07 .29 .17 .23 14.326 222 17 221 24 1.4 45133.878 107.96 15.34 0.078 -0.005 8.3 0.000 0.102 0.00 .04 .02-.04 .15 .09 .11 16.373 186 1 186 12 0.5 52042.595 108.22 17.41 0.158 -0.001 17.5 0.000 0.106 0.00-.02 .02-.04 .10 .06 .08 18.419 46 0 46 3 0.0 109947.30 183.68 19.22 0.068 0.002 7.5 0.000 0.000 0.00-.05-.02-.02 .08 .05 .07 20.466 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.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 2126.400 15.75 11.30 0.000 0.000 0.0 0.000 0.000 0.00-1.7 1.0 .20 1.7 1.0 .20 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 0 1 0 0.0 288.752 3.03 12.52 0.000 0.000 0.0 0.000 0.000 0.00-1.2 .24-.36 1.2 .24 .36 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 1 1 1 1 0.0 10933.200 46.88 11.21 0.047 -0.047 2.2 0.000 0.094 0.00-.73-.72 .03 .73 .72 .03 -0.660 5 3 5 3 0.0 2598.302 17.25 12.77 0.219 -0.154 3.7 0.000 0.439 0.00-.59 .21 .15 .59 .26 .16 -0.540 6 3 6 4 16.7 19330.957 107.75 12.39 0.093 0.067 8.0 0.000 0.633 0.00-.50-.22 .17 .50 .34 .20 -0.420 7 0 7 1 0.0 21797.200 112.02 13.09 0.041 -0.003 3.5 0.000 0.000 0.00-.35-.02 .12 .35 .27 .18 -0.300 17 5 17 8 0.0 31377.860 116.06 13.13 0.111 0.033 8.5 0.000 0.328 0.00-.22-.01 .01 .22 .26 .14 -0.180 183 8 180 28 0.5 59492.030 128.93 16.15 0.114 0.007 14.1 0.000 0.079 0.00-.11 .00-.01 .11 .08 .09 -0.060 265 19 259 33 0.4 59554.573 134.93 15.38 0.089 -0.005 9.4 0.000 0.111 0.00-.00-.00-.02 .04 .11 .09 0.060 186 13 182 22 0.5 33070.020 82.36 14.79 0.086 -0.004 6.4 0.000 0.130 0.00 .12 .02-.05 .13 .12 .12 0.180 88 6 88 6 2.3 23046.844 68.04 14.06 0.139 0.000 3.6 0.000 0.278 0.00 .22-.01-.08 .22 .17 .17 0.300 39 3 39 3 0.0 10738.511 42.76 12.67 0.247 -0.005 4.0 0.000 0.495 0.00 .35-.01-.22 .35 .24 .48 0.420 14 1 14 1 7.1 7467.086 34.07 12.64 0.455 -0.001 0.8 0.000 0.909 0.00 .49 .04-.23 .49 .32 .31 0.540 9 2 9 2 0.0 8210.152 35.69 12.47 0.116 0.010 2.6 0.000 0.233 0.00 .58 .30-.23 .58 .38 .25 0.660 2 0 2 0 50.0 5578.463 30.25 12.27 0.000 0.000 0.0 0.000 0.000 0.00 .72-.74-.17 .72 .75 .17 0.780 6 2 6 2 16.7 3326.307 20.40 12.68 0.244 -0.080 5.3 0.000 0.488 0.00 .83 .05-.17 .83 .39 .19 0.900 2 0 2 0 0.0 11881.650 31.99 11.83 0.000 0.000 0.0 0.000 0.000 0.00 .95-3.1-.50 .95 3.6 .59 1.020 2 0 2 0 0.0 4043.500 21.93 12.07 0.000 0.000 0.0 0.000 0.000 0.00 1.0-.10-.18 1.0 .67 .19 1.140 3 2 3 2 33.3 1208.555 10.10 12.17 0.416 -0.038 0.7 0.000 0.833 0.00 1.2 .17-.15 1.2 .46 .15 1.260 2 0 2 0 0.0 2407.251 15.58 12.50 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.13-.20 1.3 .58 .20 1.380 11 2 11 2 9.1 5600.987 24.97 11.64 0.216 0.037 3.6 0.000 0.432 0.00 2.5-.98-.39 2.6 2.6 .43 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.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 6365.487 24.35 11.59 0.000 0.000 0.0 0.000 0.000 0.00 2.6-3.5-.49 2.9 3.7 .53 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 0 1 0 0.0 9572.700 31.03 11.82 0.000 0.000 0.0 0.000 0.000 0.00 .94-1.1-.20 .94 1.1 .20 -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 3 0 3 0 0.0 8890.933 39.44 11.65 0.000 0.000 0.0 0.000 0.000 0.00 1.4-.83-.16 1.4 .83 .17 -0.780 6 1 6 1 16.7 3934.761 24.69 11.93 0.047 -0.022 2.2 0.000 0.094 0.00 .54-.71-.15 .86 .71 .19 -0.660 3 0 3 0 33.3 1397.963 10.78 12.64 0.000 0.000 0.0 0.000 0.000 0.00 .10-.63-.05 .49 .63 .22 -0.540 8 1 8 1 0.0 7094.684 33.95 12.50 0.623 -0.031 9.5 0.000 1.247 0.00 .20-.46-.08 .36 .46 .13 -0.420 12 3 12 4 0.0 31175.860 106.38 12.68 0.092 0.020 8.1 0.000 0.399 0.00 .09-.35-.03 .44 .35 .11 -0.300 46 2 45 5 2.2 63167.584 156.44 13.34 0.123 0.002 7.3 0.000 0.337 0.00 .08-.23-.02 .20 .23 .10 -0.180 119 19 116 26 4.2 55875.252 136.59 14.75 0.082 -0.001 5.8 0.000 0.141 0.00 .04-.10-.04 .28 .11 .12 -0.060 406 25 393 56 0.2 49159.513 113.26 15.73 0.098 0.002 10.6 0.000 0.118 0.00 .02 .00-.04 .14 .04 .12 0.060 174 11 172 16 1.1 31696.033 85.25 14.67 0.168 -0.007 7.9 0.000 0.114 0.00 .07 .11-.07 .21 .11 .24 0.180 36 2 36 4 0.0 14761.934 52.82 13.46 0.150 -0.017 7.4 0.000 0.277 0.00 .07 .23-.06 .35 .24 .24 0.300 15 1 15 2 0.0 12719.507 49.13 12.14 0.178 0.002 9.9 0.000 0.530 0.00 .16 .35-.06 .43 .35 .16 0.420 2 0 2 0 0.0 6398.951 29.98 12.70 0.000 0.000 0.0 0.000 0.000 0.00 .94 .44-.22 1.0 .44 .23 0.540 5 2 5 2 0.0 7984.740 33.88 11.89 0.170 -0.022 6.3 0.000 0.341 0.00 .67 .57-.19 .71 .57 .19 0.660 4 0 4 0 0.0 11513.180 49.44 11.83 0.000 0.000 0.0 0.000 0.000 0.00 .41 .68-.21 .68 .69 .23 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 1 0 1 0 0.0 2126.400 15.75 11.30 0.000 0.000 0.0 0.000 0.000 0.00-1.7 1.0 .20 1.7 1.0 .20 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 3 1 3 1 0.0 7253.400 26.68 11.43 0.218 0.105 7.2 0.000 0.437 0.00 2.1 2.4-.39 2.2 2.5 .42 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) ErrZ # 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 2383.800 12.94 13.38 0.000 0.000 0.0 0.000 0.000 0.00 .32 .08-2.6 .32 .08 2.6 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 1 0 1 0 0.0 14190.600 32.67 11.84 0.000 0.000 0.0 0.000 0.000 0.00 .96-5.0-.81 .96 5.0 .81 -0.780 1 0 1 0 0.0 645.321 4.04 11.88 0.000 0.000 0.0 0.000 0.000 0.00 2.1-4.1-.72 2.1 4.1 .72 -0.660 8 2 8 2 12.5 8499.517 35.83 12.82 0.004 -0.000 0.0 0.000 0.008 0.00 .82 .44-.58 1.2 1.2 .58 -0.540 8 0 8 0 0.0 21983.338 59.94 13.17 0.000 0.000 0.0 0.000 0.000 0.00 .81-.44-.47 1.6 1.5 .47 -0.420 18 4 18 4 11.1 10630.385 43.34 13.29 0.141 -0.022 5.9 0.000 0.283 0.00 .38-.13-.36 1.0 .81 .36 -0.300 42 2 42 2 2.4 12148.580 44.46 13.04 0.210 0.006 6.0 0.000 0.421 0.00 .60-.01-.23 .90 .77 .23 -0.180 289 14 285 26 0.7 44172.740 103.28 15.16 0.112 0.000 11.2 0.000 0.067 0.00 .09 .00-.11 .25 .17 .11 -0.060 356 26 339 53 0.8 50028.521 123.09 15.10 0.082 -0.001 7.4 0.000 0.122 0.00 .02-.02-.01 .14 .13 .04 0.060 105 11 101 25 1.0 45252.481 116.04 14.90 0.123 0.002 11.6 0.000 0.417 0.00-.06 .03 .10 .19 .15 .10 0.180 14 1 14 2 7.1 6304.224 32.03 13.46 0.180 -0.003 4.3 0.000 0.264 0.00-.19 .00 .23 .52 .35 .24 0.300 5 3 5 3 0.0 4345.500 25.27 12.49 0.077 0.059 1.7 0.000 0.155 0.00-.15 .05 .33 .33 .12 .33 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 2 1 2 1 0.0 3242.650 20.15 12.24 0.021 0.004 0.2 0.000 0.042 0.00 .03 .15 .60 .19 .15 .61 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 732 0 732 0 1.0 43315.828 106.85 15.03 0.000 0.000 0.0 0.000 0.000 0.00 .09-.02-.06 .37 .40 .17 1.000 118 40 59 118 3.4 39826.622 123.83 13.79 0.102 0.000 8.7 0.000 0.129 0.00 .05 .00-.01 .45 .27 .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 0 0 0 0 0.0 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_07.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 850 40 791 118 1.3 42831.444 108.78 14.86 0.102 0.000 8.7 0.000 0.129 0.00 .09-.02-.05 .38 .38 .17 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_07.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 119 1 104 30 0.0 109621.22 229.27 16.22 0.116 0.000 19.5 0.000 0.091 0.00-.03-.02-.01 .11 .11 .08 1.830 107 2 101 12 0.9 72981.505 146.23 16.03 0.103 0.000 11.7 0.000 0.199 0.00-.05-.01-.02 .08 .11 .07 1.463 103 3 99 8 1.9 49711.625 104.70 15.74 0.046 0.000 5.9 0.000 0.020 0.00-.07 .00-.03 .09 .13 .08 1.281 94 2 92 4 1.1 31035.670 76.53 15.68 0.174 0.000 2.5 0.000 0.337 0.00 .01 .02-.06 .13 .15 .10 1.165 92 5 87 10 0.0 30123.908 70.34 15.09 0.044 0.000 2.9 0.000 0.084 0.00 .13-.04-.05 .18 .54 .12 1.082 73 1 72 2 2.7 20060.193 56.57 14.64 0.147 0.000 1.1 0.000 0.344 0.00 .17-.08-.07 .33 .50 .15 1.019 83 7 76 14 0.0 17256.907 51.37 13.98 0.120 0.000 5.2 0.000 0.241 0.00 .14 .06-.06 .32 .42 .15 0.968 60 1 59 2 0.0 13248.520 45.93 13.22 0.014 0.000 1.1 0.000 0.027 0.00 .20 .02-.09 .28 .21 .17 0.926 47 0 47 0 0.0 11211.165 42.89 12.65 0.000 0.000 0.0 0.000 0.000 0.00 .56-.16-.23 .94 .86 .46 0.891 72 18 54 36 6.9 7294.146 35.97 12.27 0.147 0.000 3.7 0.000 0.314 0.00 .23 .00-.04 .86 .54 .26 0.860 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 41 5 37 10 26.8 436.202 4.07 13.87 0.545 -0.039 1.8 0.000 1.092 0.00 .23-.20-.09 .69 .70 .22 907.092 28 5 25 10 0.0 1408.271 9.46 13.60 0.198 -0.020 2.3 0.000 0.289 0.00 .13 .04 .05 .41 .18 .24 1814.184 51 8 49 10 0.0 2783.922 16.00 13.78 0.247 -0.034 3.6 0.000 0.573 0.00 .07-.04-.08 .54 .45 .40 3628.367 101 12 97 20 0.0 5436.815 25.86 13.80 0.163 -0.003 5.0 0.000 0.386 0.00 .28-.03-.07 .73 .67 .19 7256.734 135 12 128 23 0.0 10885.313 40.20 14.45 0.122 0.001 5.3 0.000 0.264 0.00 .13-.03-.07 .41 .56 .14 14513.469 145 3 144 6 0.0 21184.050 58.37 14.69 0.099 0.001 7.6 0.000 0.173 0.00 .07 .04-.06 .16 .12 .15 29026.938 149 6 143 15 0.0 40635.113 84.42 15.07 0.078 -0.003 7.6 0.000 0.124 0.00 .05 .01-.05 .13 .12 .11 58053.875 118 2 116 9 0.0 81041.468 132.74 16.27 0.140 -0.003 23.6 0.000 0.184 0.00-.03-.01-.03 .10 .10 .08 116107.750 64 2 61 11 0.0 157011.58 211.34 16.62 0.100 -0.001 21.1 0.000 0.071 0.00-.05-.03-.03 .10 .10 .08 232215.500 18 1 17 4 0.0 302824.61 351.33 15.28 0.079 0.011 29.3 0.000 0.091 0.00-.02-.07-.00 .11 .12 .06 464431.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 10 3 9 4100.0 99.493 1.04 13.94 0.900 -0.400 1.0 0.000 2.488 0.00 .50-.14-.14 .95 .26 .27 1.889 8 2 8 3 12.5 260.717 2.62 13.57 0.868 -0.257 2.8 0.000 0.797 0.00-.02 .01-.10 .68 .39 .23 3.569 20 3 20 3 0.0 631.816 5.27 13.77 0.337 0.019 1.9 0.000 0.674 0.00 .24-.35-.06 .58 .95 .21 6.743 37 7 33 12 0.0 1470.589 9.92 13.73 0.113 -0.002 1.3 0.000 0.240 0.00 .12 .04 .01 .39 .17 .24 12.738 81 8 79 11 0.0 3568.461 18.65 13.88 0.252 -0.017 4.8 0.000 0.484 0.00 .25-.09-.10 .86 .79 .34 24.064 182 16 172 30 0.0 9193.829 35.64 14.22 0.145 0.001 5.0 0.000 0.304 0.00 .16-.00-.06 .38 .50 .15 45.462 253 11 243 25 0.0 26219.519 65.78 14.81 0.066 0.001 5.1 0.000 0.124 0.00 .07 .03-.06 .19 .14 .14 85.886 165 3 160 14 0.0 69905.052 119.71 15.94 0.106 -0.003 16.0 0.000 0.106 0.00-.02-.01-.04 .10 .10 .09 162.255 77 2 74 12 0.0 147970.65 217.60 16.36 0.120 -0.002 26.3 0.000 0.071 0.00-.04-.03-.01 .10 .11 .07 306.529 17 1 16 4 0.0 283097.94 369.10 14.64 0.079 0.013 29.3 0.000 0.091 0.00-.06-.08 .00 .15 .12 .06 579.091 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 14 7 7 14 14.3 37370.637 97.30 13.49 0.006 0.000 0.5 0.000 0.012 0.00 .19 .05-.06 .78 .09 .31 0.030 15 6 8 15 0.0 57532.420 165.54 13.98 0.048 0.002 4.3 0.000 0.094 0.00 .00-.07-.01 .26 .20 .14 0.060 14 6 11 14 0.0 59591.929 147.73 13.87 0.078 0.038 9.3 0.000 0.152 0.00-.08-.06 .04 .19 .12 .10 0.090 19 10 18 19 0.0 52012.411 139.94 14.24 0.104 0.023 10.7 0.000 0.203 0.00-.01-.02-.00 .18 .17 .13 0.120 14 7 14 14 0.0 53325.000 149.99 13.93 0.136 -0.010 13.6 0.000 0.260 0.00 .05 .06-.01 .14 .15 .10 0.150 10 8 10 10 0.0 16562.500 62.32 13.77 0.167 0.064 8.0 0.000 0.334 0.00 .03-.04-.03 .29 .07 .11 0.180 6 3 6 6 0.0 60004.117 153.35 15.36 0.196 -0.018 17.9 0.000 0.393 0.00-.06 .01-.08 .07 .08 .13 0.210 4 3 4 4 0.0 7216.636 33.99 13.34 0.219 -0.055 6.7 0.000 0.442 0.00 .74 .51-.04 1.5 1.1 .16 0.240 5 4 5 5 0.0 14308.433 62.48 12.80 0.256 -0.217 12.3 0.000 0.514 0.00 .19 .17-.01 .53 .31 .11 0.270 3 2 3 3 0.0 3532.237 23.66 12.61 0.277 0.277 6.5 0.000 0.556 0.00-.19-.08 .01 .36 .15 .09 0.300 2 2 2 2 0.0 2360.950 15.24 12.47 0.314 -0.314 4.7 0.000 0.628 0.00-.28-.09 .02 .38 .25 .08 0.330 2 1 2 2 0.0 43569.351 131.00 13.55 0.350 -0.350 31.5 0.000 0.691 0.00 .00 .07 .06 .04 .13 .07 0.360 1 1 1 1 0.0 5872.300 30.04 11.72 0.388 -0.388 11.6 0.000 0.775 0.00 .30-.01-.36 .30 .01 .36 0.390 1 0 1 1 0.0 1204.700 12.45 13.12 0.396 0.396 4.9 0.000 0.000 0.00-.08 .24 .19 .08 .24 .19 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.450 1 1 1 1100.0 175.865 1.76 12.46 0.455 -0.455 0.8 0.000 0.909 0.00 .45-.17-.04 .45 .17 .04 0.480 2 2 2 2 0.0 1765.024 11.99 11.84 0.481 -0.300 5.2 0.000 0.961 0.00-.01-.15 .03 .04 .18 .04 0.510 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.570 5 3 5 5 20.0 998.947 8.86 14.15 0.748 -0.748 6.0 0.000 1.445 0.00 .09-.16-.01 .57 .27 .09 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 6 4 6 6 16.7 1310.689 10.53 13.80 0.650 -0.650 6.3 0.000 1.213 0.00 .07-.17 .00 .52 .26 .09 -0.460 1 1 1 1100.0 175.865 1.76 12.46 0.455 -0.455 0.8 0.000 0.909 0.00 .45-.17-.04 .45 .17 .04 -0.420 1 1 1 1 0.0 5872.300 30.04 11.72 0.388 -0.388 11.6 0.000 0.775 0.00 .30-.01-.36 .30 .01 .36 -0.380 2 1 2 2 0.0 43569.351 131.00 13.55 0.350 -0.350 31.5 0.000 0.691 0.00 .00 .07 .06 .04 .13 .07 -0.340 2 2 2 2 0.0 2360.950 15.24 12.47 0.314 -0.314 4.7 0.000 0.628 0.00-.28-.09 .02 .38 .25 .08 -0.300 1 1 1 1 0.0 8081.300 36.65 12.08 0.265 -0.265 9.7 0.000 0.530 0.00-.59 .35 .17 .59 .35 .17 -0.260 4 3 4 4 0.0 17010.566 71.48 12.88 0.251 -0.251 13.7 0.000 0.476 0.00 .39 .14-.06 .51 .29 .09 -0.220 3 0 3 3 0.0 70703.700 170.88 17.14 0.190 -0.190 21.4 0.000 0.000 0.00-.09 .04 .01 .09 .05 .09 -0.180 9 6 9 9 0.0 16494.556 65.10 13.72 0.152 -0.152 8.2 0.000 0.328 0.00 .03 .02-.05 .14 .14 .12 -0.140 10 6 10 10 0.0 59256.580 144.38 14.53 0.120 -0.120 12.7 0.000 0.231 0.00-.03-.08 .00 .13 .13 .16 -0.100 6 3 6 6 0.0 53556.784 136.16 13.80 0.081 -0.081 9.2 0.000 0.168 0.00 .06 .01 .01 .13 .05 .08 -0.060 9 7 9 9 0.0 47927.289 157.45 12.64 0.048 -0.048 3.9 0.000 0.097 0.00-.15-.09 .09 .33 .26 .17 -0.020 10 5 5 10 20.0 44549.311 105.31 13.49 0.003 0.000 0.3 0.000 0.006 0.00 .36 .05-.17 .91 .10 .29 0.020 10 8 10 10 0.0 50933.650 140.67 14.99 0.045 0.045 3.4 0.000 0.090 0.00 .06 .00-.00 .17 .07 .24 0.060 11 6 11 11 0.0 62321.655 152.35 13.83 0.080 0.080 9.7 0.000 0.166 0.00-.13-.09 .06 .20 .13 .11 0.100 15 8 15 15 0.0 57401.513 157.09 14.11 0.118 0.118 12.1 0.000 0.240 0.00 .02 .06-.02 .21 .19 .10 0.140 6 4 6 6 0.0 20963.233 77.70 13.67 0.166 0.166 10.1 0.000 0.330 0.00 .07-.03 .02 .35 .06 .08 0.180 5 4 5 5 0.0 33247.400 104.20 13.86 0.206 0.206 12.0 0.000 0.414 0.00 .55 .44-.14 1.3 1.0 .19 0.220 2 2 2 2 0.0 2980.872 17.90 12.61 0.245 0.245 3.4 0.000 0.489 0.00 .05-.16 .01 .07 .17 .06 0.260 3 2 3 3 0.0 3532.237 23.66 12.61 0.277 0.277 6.5 0.000 0.556 0.00-.19-.08 .01 .36 .15 .09 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.340 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.380 1 0 1 1 0.0 1204.700 12.45 13.12 0.396 0.396 4.9 0.000 0.000 0.00-.08 .24 .19 .08 .24 .19 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 1 1 1 1 0.0 660.648 5.92 11.65 0.481 0.481 2.8 0.000 0.962 0.00-.05-.07 .01 .05 .07 .01 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 14 7 7 14 21.4 26776.402 93.28 13.06 0.001 0.000 0.2 0.000 0.003 0.00 .27 .02-.03 .79 .11 .32 1.000 16 8 9 16 0.0 8061.592 37.07 14.10 0.040 0.008 1.5 0.000 0.081 0.00 .14-.00-.05 .42 .14 .13 2.000 9 6 7 9 0.0 13601.861 53.55 13.55 0.044 0.002 2.4 0.000 0.099 0.00-.13-.15 .00 .26 .28 .07 3.000 15 8 10 15 6.7 9936.232 41.37 13.19 0.087 0.002 3.6 0.000 0.191 0.00 .06 .02 .02 .26 .18 .10 4.000 11 6 8 11 0.0 11815.182 47.57 12.94 0.095 0.008 4.6 0.000 0.197 0.00 .00-.01-.00 .11 .11 .19 5.000 3 2 3 3 0.0 5874.833 30.73 14.83 0.176 -0.062 5.4 0.000 0.452 0.00-.17-.10-.09 .31 .19 .19 6.000 2 1 2 2 0.0 2938.781 19.38 14.49 0.316 0.153 6.2 0.000 0.490 0.00 .01-.13 .01 .02 .15 .06 7.000 6 5 6 6 0.0 8597.017 36.32 12.37 0.204 0.112 7.5 0.000 0.422 0.00 .50 .30-.05 1.2 .93 .13 8.000 4 2 3 4 0.0 26331.375 79.68 13.45 0.105 -0.001 8.4 0.000 0.392 0.00-.14-.07 .04 .17 .13 .05 9.000 7 3 6 7 0.0 7434.371 39.22 14.52 0.244 -0.179 9.6 0.000 0.638 0.00-.03 .07 .06 .41 .31 .11 10.000 2 1 2 2 0.0 30065.800 77.96 12.64 0.130 0.130 10.2 0.000 0.253 0.00 .04 .21-.01 .05 .24 .09 11.000 3 2 3 3 0.0 13578.867 53.28 12.85 0.210 -0.160 11.2 0.000 0.407 0.00 .08-.08-.14 .23 .15 .22 12.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 13.000 3 1 2 3 0.0 51131.867 125.04 14.35 0.105 0.022 13.2 0.000 0.233 0.00-.04-.06-.02 .08 .06 .04 14.000 2 1 1 2 0.0 109946.00 173.28 14.75 0.083 0.000 14.3 0.000 0.180 0.00-.07-.01-.03 .08 .03 .04 15.000 1 0 1 1 0.0 155083.00 234.97 18.43 0.066 0.066 15.6 0.000 0.000 0.00-.13-.02 .13 .13 .02 .13 16.000 5 1 4 5 0.0 146921.14 221.83 15.08 0.074 0.030 16.4 0.000 0.091 0.00-.07 .01-.03 .13 .04 .08 17.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 18.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 19.000 2 1 2 2 0.0 210085.35 312.28 15.03 0.061 -0.061 19.1 0.000 0.101 0.00-.03-.08 .04 .06 .08 .07 20.000 2 0 2 2 0.0 114030.25 206.45 15.67 0.099 -0.099 20.4 0.000 0.000 0.00 .01 .00-.04 .10 .00 .06 21.000 1 0 1 1 0.0 63037.000 149.80 12.52 0.146 -0.146 21.9 0.000 0.000 0.00 .05 .27 .07 .05 .27 .07 22.000 2 0 2 2 0.0 113459.00 241.66 12.22 0.094 0.094 22.8 0.000 0.000 0.00-.37-.21 .02 .39 .23 .06 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 8 0 4 8 0.0 157472.26 248.41 15.60 0.167 0.000 40.9 0.000 0.000 0.00-.06 .04-.02 .10 .08 .10 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 850 40 791 118 1.3 42831.444 108.78 14.86 0.102 0.000 8.7 0.000 0.129 0.00 .09-.02-.05 .38 .38 .17 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 43 0 43 0 4.7 52719.867 144.45 13.40 0.000 0.000 0.0 0.000 0.000 0.00 .03-.01-.04 .23 .25 .12 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_07.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.830 104 189 55.03 1.14 0.116 1 0.53 0.116 229.27 0.0 to 1.463 205 351 58.40 1.10 0.113 3 0.85 0.103 146.23 0.9 to 1.281 304 511 59.49 1.08 0.103 6 1.17 0.046 104.70 1.9 to 1.165 396 682 58.06 1.07 0.103 8 1.17 0.174 76.53 1.1 to 1.082 483 839 57.57 1.07 0.101 13 1.55 0.044 70.34 0.0 to 1.019 555 1003 55.33 1.06 0.101 14 1.40 0.147 56.57 2.7 to 0.968 631 1173 53.79 1.06 0.102 21 1.79 0.120 51.37 0.0 to 0.926 690 1333 51.76 1.06 0.100 22 1.65 0.014 45.93 0.0 to 0.891 737 1482 49.73 1.06 0.100 22 1.48 0.000 42.89 0.0 to 0.860 791 1649 47.97 1.07 0.102 40 2.43 0.147 35.97 6.9