SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:26:33 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 21 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-): 66.17 (from frame neal054_20_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_20_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_20_0001.sfrm) Base offset per exposure: 64 (from frame neal054_20_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_20_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:26:33 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_20_0001.sfrm Nominal time per frame (s): 10 Intensity normalization in deg/min: 6 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:26:34 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_20_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:26:34 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_20_0001.sfrm Active pixel mask written to neal054_am_20_0001.sfrm Fraction of mask marked active: 0.9674 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): 47.435 45.860 270.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 95 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:26:34 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 = 90.95% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 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 3 0.42 0.31 0.24 0.47 0.32 0.29 17448 24 0 0.27 21 0.78 0.78 2.27 1.000 3_0004 5 0.25 0.40 0.01 0.36 0.44 0.35 26254 28 20 0.32 31 0.78 0.78 2.27 1.000 4_0005 12 0.08 0.69 0.15 0.40 0.99 0.37 37518 38 8 0.42 29 0.78 0.78 2.27 1.000 5_0006 7 0.70 0.50 0.24 0.77 0.69 0.52 43838 37 0 0.44 26 0.78 0.78 2.27 1.000 6_0007 9 0.27 0.35 0.03 0.41 0.42 0.18 48263 31 11 0.59 27 0.78 0.78 2.27 1.000 7_0008 9 0.22 0.40 0.13 0.50 0.44 0.40 48636 44 0 0.61 41 0.78 0.78 2.27 1.000 8_0009 5 0.59 0.57 0.25 1.05 0.78 0.43 35393 36 0 0.56 21 0.78 0.78 2.27 1.000 9_0010 10 0.48 0.39 0.19 0.98 0.62 0.25 33763 33 10 0.58 27 0.78 0.78 2.27 1.000 10_0011 5 0.06 0.28 0.13 0.23 0.35 0.28 30875 30 20 0.65 25 0.78 0.78 2.27 1.000 11_0012 12 0.08 0.30 0.12 0.37 0.45 0.31 60933 56 8 0.66 30 0.78 0.78 2.27 1.000 12_0013 7 0.39 0.40 0.13 0.51 0.47 0.23 22233 25 0 0.55 26 0.78 0.78 2.27 1.000 13_0014 8 0.45 0.38 0.09 0.62 0.45 0.20 17812 22 0 0.68 27 0.78 0.78 2.27 1.000 14_0015 9 0.34 0.35 -0.08 0.69 0.45 0.17 62484 43 0 0.65 29 0.78 0.78 2.27 1.000 15_0016 7 0.15 0.66 -0.02 0.37 0.87 0.23 71997 53 0 0.69 34 0.78 0.78 2.27 1.000 16_0017 7 0.12 0.41 -0.06 0.36 0.51 0.29 42565 40 0 0.76 37 0.78 0.78 2.27 1.000 17_0018 12 0.18 0.30 0.06 0.41 0.42 0.47 22013 26 17 0.59 28 0.78 0.78 2.27 1.000 18_0019 5 0.31 0.06 0.11 0.54 0.35 0.18 11126 17 0 0.61 27 0.78 0.78 2.27 1.000 19_0020 5 0.14 0.34 0.04 0.23 0.36 0.22 52309 40 0 0.73 26 0.78 0.78 2.27 1.000 Background pixels updated = 93.73% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.13 0.38 0.26 0.25 0.47 0.47 29477 32 0 0.72 27 0.78 0.78 2.27 1.000 21_0022 9 0.28 0.33 0.04 0.40 0.44 0.13 20874 24 0 0.73 30 0.78 0.78 2.27 1.000 22_0023 7 0.42 0.38 0.06 0.73 0.44 0.17 51621 39 0 0.65 27 0.78 0.78 2.27 1.000 23_0024 10 0.30 0.49 -0.15 0.68 0.60 0.26 50799 40 0 0.72 33 0.78 0.78 2.27 1.000 24_0025 7 0.03 0.24 0.05 0.21 0.34 0.23 74257 63 0 0.70 27 0.78 0.78 2.27 1.000 25_0026 7 0.07 0.13 0.06 0.24 0.16 0.14 54822 49 14 0.70 24 0.78 0.78 2.27 1.000 26_0027 6 -0.15 0.29 0.31 0.47 0.39 0.74 30935 32 0 0.75 28 0.78 0.78 2.27 1.000 27_0028 14 0.41 0.31 -0.00 0.74 0.46 0.20 22066 22 0 0.71 29 0.78 0.78 2.27 1.000 28_0029 6 0.48 0.49 0.02 0.67 0.67 0.21 28503 30 0 0.53 27 0.78 0.78 2.27 1.000 29_0030 7 0.32 0.36 0.05 0.82 0.48 0.21 13435 20 14 0.66 28 0.78 0.78 2.27 1.000 30_0031 5 0.34 0.27 0.04 0.54 0.33 0.22 61068 30 60 0.50 33 0.78 0.78 2.27 1.000 31_0032 6 0.16 0.40 -0.11 0.41 0.49 0.21 26457 25 0 0.75 31 0.78 0.78 2.27 1.000 32_0033 7 0.13 0.16 0.03 0.27 0.20 0.28 30422 36 0 0.73 29 0.78 0.78 2.27 1.000 33_0034 12 0.04 0.25 0.01 0.29 0.45 0.14 113669 65 0 0.67 28 0.78 0.78 2.27 1.000 34_0035 11 0.36 0.23 -0.02 0.71 0.51 0.18 61156 48 0 0.66 31 0.78 0.78 2.27 1.000 35_0036 8 0.06 0.24 -0.09 0.20 0.30 0.19 61196 51 0 0.74 26 0.78 0.78 2.27 1.000 I/Sigma = 51.15 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.018 Region 1 Sum = 12240.4; Maximum = 156.268; FM = 0.624 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 5 13 10 7 5 2 1 0 0 0 1 1 1 0 0 0 0 0 4 8 8 6 3 1 1 1 0 10 22 26 19 9 4 2 1 0 0 1 1 1 0 0 0 0 0 4 7 7 5 2 1 1 0 0 11 29 35 26 13 5 2 1 0 0 1 1 1 0 0 0 0 0 5 10 9 6 3 1 1 1 0 16 35 37 24 10 4 2 1 1 0 1 1 0 0 0 0 0 0 4 9 9 6 2 1 1 0 0 15 41 46 33 15 5 2 1 1 0 0 0 0 0 0 0 0 0 4 8 7 5 2 1 1 1 0 15 40 45 34 18 6 2 1 1 0 0 0 0 0 0 0 0 0 3 7 7 5 3 2 1 1 0 13 32 37 28 14 6 2 1 1 0 0 0 0 0 0 0 0 0 3 5 5 4 2 1 1 1 0 11 33 44 36 20 7 3 1 1 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 3 7 9 5 3 1 1 1 0 !Region 1: Section 4->6 6 18 17 15 12 7 3 1 0 2 7 10 13 13 11 6 3 1 0 1 2 6 7 8 5 2 0 9 22 31 29 19 10 4 2 1 3 10 18 26 27 20 11 5 1 1 2 6 15 21 20 13 7 1 13 39 54 49 33 17 7 3 1 5 19 34 47 47 33 16 6 1 1 4 11 24 32 27 16 7 1 18 45 54 43 27 14 6 3 1 7 23 37 45 44 30 16 7 1 1 6 14 26 36 32 20 10 2 18 59 75 64 41 20 8 3 1 9 34 56 70 68 45 22 8 2 2 10 23 46 59 50 29 13 3 19 63 83 78 56 29 11 4 1 11 42 70 91 87 59 28 11 2 3 13 28 52 63 52 30 14 3 18 51 67 61 42 22 9 4 1 11 38 60 76 73 52 27 13 3 3 13 27 50 66 61 39 20 5 16 57 84 83 62 32 13 5 2 10 41 70 94100 71 36 15 4 3 14 29 54 75 68 44 21 5 5 15 18 13 10 10 5 2 0 4 13 19 21 19 23 12 5 1 2 5 9 18 22 26 17 9 3 !Region 1: Section 7->9 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 8 7 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 8 9 7 4 1 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 1 2 6 12 14 11 7 2 0 0 1 1 2 3 3 3 1 0 0 0 0 0 0 1 1 1 1 2 4 13 21 22 16 9 3 0 0 1 2 3 4 4 4 2 0 0 0 0 0 0 1 1 1 1 2 4 11 18 19 14 9 3 0 0 1 1 2 3 4 4 2 0 0 0 0 0 0 0 1 1 0 2 5 14 26 32 24 15 5 0 0 1 1 4 6 6 6 3 0 0 0 0 0 0 1 1 1 0 2 5 12 22 27 23 14 5 0 1 1 2 3 5 6 6 3 0 0 0 0 0 0 1 1 1 0 1 3 8 12 15 13 8 3 0 0 0 1 2 4 4 4 2 0 0 0 0 0 0 1 1 1 I/Sigma = 186.14 Thresh = 0.020 Blend = F #Contributing = 39 InitialProfileWt = 0.024 Region 2 Sum = 165059; Maximum = 2875.85; FM = 0.893 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 3 5 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 2 0 0 1 3 10 16 16 11 5 1 0 0 0 0 0 1 0 0 0 0 0 1 2 4 6 6 3 1 0 1 6 16 25 24 17 8 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 6 4 0 0 2 7 17 25 27 21 11 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 7 2 0 1 3 12 24 33 35 28 8 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 4 1 0 0 3 9 20 30 33 19 5 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 4 2 0 0 0 1 6 17 28 24 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 1 4 12 19 16 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 !Region 2: Section 4->6 0 1 2 5 9 9 5 2 0 0 1 2 4 8 7 3 1 0 0 0 1 2 3 3 1 0 0 0 2 9 28 41 33 18 6 1 0 2 9 28 41 31 15 4 1 0 1 4 10 14 12 6 2 0 1 4 18 46 68 55 27 9 1 1 4 19 47 69 54 23 6 1 0 2 8 19 26 22 11 3 1 1 6 24 51 72 65 34 12 2 1 7 27 57 81 68 30 8 1 1 4 14 27 37 30 14 5 1 1 10 36 73 93 83 49 13 1 1 11 40 80100 81 41 11 1 1 5 20 40 45 34 18 6 1 1 8 29 56 73 71 39 10 1 1 8 33 62 74 65 34 10 1 0 4 16 33 40 32 18 7 2 1 4 17 41 62 56 29 9 1 1 5 18 41 60 53 29 9 1 0 3 9 20 30 28 17 7 2 1 3 11 29 46 41 22 7 1 1 3 11 28 44 39 22 7 1 0 1 5 13 21 20 13 6 2 0 0 2 6 11 9 4 2 0 0 0 2 6 11 8 4 2 0 0 0 1 4 6 5 3 1 0 !Region 2: 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 2 3 3 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 7 7 4 2 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 3 7 11 12 11 7 3 1 0 1 3 4 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 2 10 17 16 12 8 4 1 0 1 4 6 6 5 4 2 1 0 0 0 1 1 0 0 0 0 0 2 7 16 23 19 12 6 2 0 1 3 6 9 8 5 3 1 0 0 0 1 1 1 0 0 0 0 2 5 10 16 18 13 7 2 0 1 2 4 6 7 5 3 1 0 0 0 0 1 1 0 1 0 0 1 3 6 11 12 10 6 2 0 1 1 3 4 5 4 3 1 0 0 0 0 0 0 0 0 0 0 1 1 2 4 5 4 1 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 121.17 Thresh = 0.020 Blend = F #Contributing = 37 InitialProfileWt = 0.046 Region 3 Sum = 68734.6; Maximum = 1129.94; FM = 0.836 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 2 0 1 1 2 4 7 12 9 4 0 0 0 0 0 0 0 0 0 0 1 2 3 4 6 6 6 2 1 3 6 10 15 23 28 25 8 0 0 0 0 0 0 0 0 0 0 1 2 3 5 7 8 6 2 1 3 7 12 23 34 34 26 8 0 0 0 0 0 0 0 0 0 0 1 2 3 6 8 9 5 2 1 4 9 17 32 43 38 22 6 0 0 0 0 0 0 0 0 0 0 1 2 4 8 9 7 3 1 1 4 11 22 43 46 33 15 3 0 0 0 0 0 0 0 0 0 0 0 1 3 6 7 4 2 0 0 3 9 19 38 39 19 7 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 2 1 0 0 3 7 16 27 23 9 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 1 1 0 0 2 5 9 14 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 1 0 !Region 3: Section 4->6 0 1 2 4 6 11 19 14 4 0 1 2 3 5 11 13 7 1 0 0 0 1 2 5 4 1 0 1 4 8 13 23 40 49 40 11 1 2 4 9 20 35 37 24 5 0 1 1 4 9 14 12 5 1 1 5 12 25 52 71 61 42 10 1 4 9 26 56 65 45 26 5 0 1 4 12 25 24 13 5 1 2 7 19 45 78 89 63 33 8 1 6 22 57 86 80 44 20 4 1 3 11 29 39 28 12 5 1 1 9 29 61 96 90 53 21 4 1 10 39 82100 76 36 13 2 1 6 22 45 44 27 11 4 1 1 10 31 59 86 76 32 10 2 2 16 47 78 88 64 24 7 1 2 11 29 42 39 23 9 3 1 1 9 25 49 61 43 15 4 1 3 16 39 64 65 41 14 3 1 3 13 26 36 32 19 7 2 0 1 6 16 28 34 19 7 2 0 3 12 27 41 43 25 9 2 0 3 11 20 27 26 16 6 2 0 0 2 6 10 12 6 2 1 0 1 4 10 15 18 10 3 1 0 1 5 7 9 11 6 2 1 0 !Region 3: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 4 5 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 7 6 4 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 7 8 7 4 2 1 0 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 2 5 8 9 7 5 2 1 0 1 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 2 5 8 9 7 5 3 1 0 1 2 3 3 3 2 1 1 0 0 0 0 1 1 0 0 0 0 1 3 3 3 3 2 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 31.86 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.301 Region 4 Sum = 5612.78; Maximum = 89.5779; FM = 0.388 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 3 7 4 3 1 1 0 0 0 9 29 18 14 5 1 0 0 -1 0 1 0 0 1 0 -1 0 0 5 14 10 5 2 1 -1 0 0 22 64 51 30 9 3 0 1 0 0 0 -1 0 1 0 0 0 0 6 12 8 4 2 0 0 1 0 25 66 56 30 11 3 0 1 0 0 0 0 0 0 0 -1 0 0 5 10 8 5 2 1 0 1 0 23 60 56 33 10 4 1 1 0 0 0 0 0 0 0 0 0 0 3 7 7 5 1 0 1 1 0 18 47 50 33 9 3 1 1 0 0 0 0 0 0 0 0 0 0 1 3 5 3 0 0 1 1 0 10 32 40 26 8 2 1 2 1 0 0 0 -1 1 0 -1 0 0 1 2 4 1 2 1 0 0 0 7 21 27 20 8 2 1 0 0 0 -1 0 0 0 0 0 0 0 0 0 2 1 2 1 0 0 0 3 10 15 13 6 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 3 4 5 2 1 1 1 0 !Region 4: Section 4->6 9 35 24 21 8 2 1 0 0 3 13 12 13 8 3 1 1 0 1 2 2 3 4 2 1 1 0 25 80 75 51 16 6 1 1 0 10 32 39 35 14 6 3 1 1 1 4 7 10 6 4 2 1 0 30 95 94 57 22 8 1 1 1 12 45 58 44 21 9 3 2 1 2 7 14 17 9 5 3 2 0 29 93100 63 23 7 2 2 1 13 51 70 55 25 10 2 2 1 2 11 22 25 15 7 2 1 0 24 79 95 68 22 7 1 1 0 12 51 79 67 29 10 2 1 0 3 14 32 34 18 8 2 1 0 16 61 83 63 23 6 2 2 1 10 47 83 83 34 12 4 2 0 3 18 43 53 24 11 4 2 0 12 43 63 58 26 8 2 1 0 8 40 77 92 46 19 6 2 0 3 19 47 66 35 18 6 2 0 5 25 41 45 24 9 2 1 0 5 30 62 88 55 25 8 2 0 3 19 47 72 49 24 10 2 0 1 8 14 21 9 4 1 1 0 2 12 25 46 26 12 4 1 0 1 9 20 38 27 12 4 1 0 !Region 4: Section 7->9 0 1 1 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 0 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 2 0 0 -1 -1 1 1 0 1 0 0 0 0 -1 1 1 0 0 0 0 0 1 2 5 3 2 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 6 4 3 1 0 0 0 -1 0 1 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 1 6 10 6 3 2 1 0 0 -1 0 1 0 0 1 0 0 0 0 0 0 0 -1 0 -1 0 0 3 9 14 8 4 2 1 0 0 0 -1 1 0 -1 0 0 0 0 0 0 1 0 -1 0 0 0 1 4 11 16 13 7 3 1 0 1 0 0 0 0 1 0 -1 0 1 0 0 0 0 0 0 -1 0 1 2 4 8 8 4 2 0 0 0 0 -1 0 0 1 0 0 0 0 0 -1 0 0 0 0 0 0 I/Sigma = 11.46 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 5 Sum = 910.464; Maximum = 16.729; FM = 0.347 !Region 5: Section 1->3 -1 1 0 0 1 0 -2 2 0 -1 1 2 0 0 -1 -3 2 -1 0 5 5 1 -3 0 -4 0 -1 1 -2 -3 0 1 -5 -2 2 1 4 0 -1 0 0 -4 -2 3 0 12 17 8 4 1 1 0 3 -1 1 -4 -6 -3 1 2 -2 -2 -3 13 2 -4 -7 -1 2 -3 -3 -5 31 22 5 -5 -1 2 1 2 -3 -1 1 0 -6 0 0 -2 -1 -5 11 10 2 -6 0 0 -3 -1 -6 36 32 9 3 3 -1 -2 1 -2 1 4 3 -2 0 1 -2 1 1 7 12 4 -3 -1 0 -4 1 0 28 36 14 4 1 2 -4 -1 -1 1 0 2 1 -1 0 -2 -3 2 5 11 5 1 -1 0 -1 -1 0 24 38 21 12 1 1 2 2 -2 0 0 -3 -3 0 3 0 3 3 3 8 -5 -3 1 4 0 2 1 16 35 14 11 6 5 0 1 -2 -2 -4 -3 -6 1 5 3 5 -1 3 6 -3 -8 0 8 2 3 -3 17 31 15 7 3 9 1 0 -3 -1 1 -2 -1 1 3 3 0 0 2 5 -1 1 1 4 2 1 0 11 15 5 7 5 4 1 -1 0 !Region 5: Section 4->6 0 10 7 1 -1 1 -1 -1 0 0 6 3 2 3 3 4 1 0 0 2 1 2 4 3 3 1 0 13 30 14 8 4 2 1 3 0 6 19 14 14 13 8 3 0 0 1 7 9 13 15 10 4 -3 -1 29 36 14 3 2 4 3 2 -2 14 27 17 20 18 14 6 3 -1 5 13 11 23 22 16 6 5 0 40 45 20 13 5 1 0 1 0 21 33 30 29 20 14 6 2 0 5 13 23 26 23 20 8 3 -1 40 53 31 18 7 6 0 1 0 21 43 41 42 29 19 7 1 1 4 22 31 39 34 21 8 -1 0 40 52 44 32 9 5 2 3 0 23 42 58 66 46 28 8 4 2 5 21 43 67 56 36 11 3 1 27 54 47 39 20 8 3 4 -1 17 41 72 89 70 37 22 8 0 4 19 55 88 78 48 28 10 0 19 39 47 42 24 14 5 0 -4 13 36 71100 85 55 30 13 1 6 22 54 94 97 71 36 18 5 14 19 17 20 12 7 4 1 0 10 18 30 53 34 28 22 9 1 5 11 24 53 40 37 27 10 2 !Region 5: Section 7->9 0 0 0 -2 1 0 1 -1 -1 0 -1 -1 -5 -2 -2 1 -1 -1 0 -1 0 -3 -2 -1 0 0 0 -1 2 1 1 4 1 2 -4 -2 0 1 -2 -6 -2 -3 -3 -2 -3 0 1 0 -4 -1 0 1 -1 -1 0 3 1 6 5 4 1 2 1 -2 -2 -1 -2 -2 -1 -2 -2 1 -1 -1 -1 -2 -1 -2 -2 -2 0 1 1 5 4 5 9 3 0 -2 0 -3 0 -5 -3 4 1 -2 -4 1 -3 -2 -4 -3 2 1 0 -2 -1 4 9 11 9 5 1 -2 -1 -2 0 2 2 -3 -1 -2 -2 0 -1 0 1 0 -1 0 0 -1 0 0 3 9 21 18 14 2 0 0 -2 -3 -4 3 0 4 -3 -1 0 -1 -2 -3 3 -1 2 -2 0 0 0 1 10 22 25 17 8 4 0 -1 -5 -6 -7 2 -2 -2 -1 -1 0 -2 -4 -5 2 -1 -1 -1 -1 0 3 11 22 34 27 10 5 2 1 -3 -2 -4 4 2 -2 -2 -2 0 -3 -1 -2 2 0 -1 0 -2 1 2 4 11 16 15 8 3 1 0 0 -1 -6 2 1 -2 0 0 0 -1 -1 -3 0 0 -2 0 0 I/Sigma = 10.48 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 6 Sum = 477.853; Maximum = 14.2648; FM = 0.105 !Region 6: Section 1->3 0 0 -1 0 0 0 0 0 0 0 0 -1 1 1 0 -1 0 0 1 1 0 1 1 0 0 1 1 0 1 -2 -1 -2 0 0 1 1 -1 1 -3 -2 -2 0 -1 1 1 0 3 1 -1 0 -1 0 1 1 -1 -4 -3 -3 -4 -3 -3 -1 0 -2 -7 -3 -4 -4 -3 -4 0 0 2 2 0 -1 -2 -3 -2 -1 0 -1 -3 -3 -1 -1 -3 -3 -1 0 0 -3 -4 -1 -1 -4 -3 -1 0 8 4 1 -1 -1 -1 -2 -1 -1 -4 -3 0 0 0 -1 -3 -1 -2 -5 -3 -2 0 2 -2 -4 -1 -2 11 13 4 2 4 2 -2 0 -1 -1 -1 1 0 0 0 -2 -2 0 -2 1 2 1 3 -1 -2 -2 0 17 22 13 7 5 3 0 0 0 -1 -1 -2 -2 0 1 0 -2 -1 -2 -1 -1 -2 1 1 -1 -2 -1 17 26 13 6 4 3 3 0 0 0 -5 -5 -4 0 1 -3 -2 -3 0 -5 -5 -5 0 2 -2 -3 -3 20 27 12 5 9 6 0 -2 -2 0 -1 -1 -1 0 0 -2 -1 -2 0 -1 -1 -1 0 1 -2 -2 -2 11 20 11 2 2 3 0 -1 -1 !Region 6: Section 4->6 3 3 2 1 1 1 2 2 1 2 3 3 1 2 1 2 1 0 1 0 1 1 2 1 2 1 0 2 6 4 2 2 -2 1 2 1 1 3 3 2 3 1 2 2 0 -2 -2 -2 -1 1 5 2 2 0 6 9 4 3 0 -3 -1 -2 -2 3 5 4 4 1 -2 -1 -1 -2 1 1 0 -1 1 0 0 0 0 13 12 9 4 0 1 -3 -1 0 5 9 10 6 2 2 -1 1 1 0 1 4 3 4 4 0 4 3 23 33 18 9 6 5 -1 0 0 12 26 19 11 6 5 1 1 1 3 6 7 6 12 8 8 2 1 36 60 39 19 9 7 2 0 -1 24 52 38 18 9 6 3 1 -1 7 15 15 11 14 12 14 8 -1 42 80 48 27 14 8 5 3 0 33 75 51 29 17 11 7 3 -1 10 22 22 18 19 24 18 4 -1 51100 56 34 28 13 2 0 -1 41100 60 41 30 16 7 4 2 12 30 24 23 33 35 26 12 7 26 62 37 20 12 9 2 0 -1 20 56 36 27 18 12 5 2 0 5 16 11 14 24 28 21 11 4 !Region 6: Section 7->9 0 -2 0 0 2 0 1 0 0 -1 -2 0 1 0 0 0 -1 -1 0 -1 0 0 0 0 0 -1 -1 -3 -3 -3 -1 0 5 -1 -1 -1 -2 -3 -2 0 -2 1 -5 -3 0 -1 -2 -1 -2 -2 0 -5 -1 1 1 0 -2 -3 -1 -2 0 0 0 0 -2 -3 -1 -2 -3 2 1 1 0 -3 -2 1 -2 -2 2 2 1 0 -3 1 2 4 3 1 5 3 0 -4 0 3 0 0 1 1 2 -1 -4 -1 3 -1 0 1 -1 1 1 -1 2 5 13 7 9 3 1 0 -3 1 4 3 1 2 2 1 0 -3 1 3 -2 -1 0 1 1 2 1 6 8 15 13 17 10 0 -2 -3 2 4 3 3 7 5 1 -1 -3 0 1 -3 -1 1 2 1 3 2 9 12 18 27 24 7 1 -2 -3 2 3 7 11 12 6 3 -3 -3 -1 -1 1 3 2 2 1 2 2 7 12 33 39 33 15 8 -1 -2 0 3 12 14 14 7 2 -2 -1 -1 -1 2 3 2 1 -1 1 1 -1 6 24 31 23 12 5 0 -1 -3 1 8 10 6 4 1 -1 0 -1 0 1 0 0 0 0 I/Sigma = 16.36 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 1498.98; Maximum = 21.4437; FM = 0.283 !Region 7: Section 1->3 -1 0 -1 -1 0 1 0 0 0 -1 0 -1 -2 -1 1 0 0 0 0 0 0 -1 1 1 1 1 -1 -2 1 0 2 1 3 -1 1 0 -2 1 -1 1 1 4 -3 1 0 1 2 2 3 3 2 2 1 -1 -1 0 1 2 2 3 -2 1 0 -2 1 1 0 3 2 -2 2 0 4 7 6 6 4 3 2 2 0 1 4 6 2 1 1 -2 1 0 1 6 8 3 2 1 -3 3 0 7 16 13 8 5 3 1 2 3 1 1 2 2 0 1 -1 1 -1 2 1 3 3 0 1 -2 1 -2 12 20 16 11 6 4 1 3 0 1 1 1 2 -1 0 -2 -2 0 2 2 1 3 -1 0 -2 -2 0 16 25 22 18 7 2 2 2 0 0 3 3 1 1 2 1 1 0 0 5 4 1 1 4 1 1 1 18 30 25 18 10 6 3 2 -1 -2 -1 2 0 1 -1 -1 0 -1 -2 0 3 0 2 -1 0 0 -1 18 35 28 21 11 5 3 2 0 -1 3 -1 -1 0 0 -1 -2 -1 -1 5 -2 -2 -1 0 -1 -2 -2 6 19 12 11 6 3 2 1 -1 !Region 7: Section 4->6 1 2 2 0 3 1 3 3 -1 1 1 1 0 1 1 2 2 -1 0 0 1 2 0 2 4 1 0 5 5 7 8 7 2 9 3 -2 3 5 5 6 5 2 7 2 -2 0 0 0 3 3 4 9 8 0 12 18 16 16 9 6 9 4 1 8 13 13 12 7 7 8 4 2 2 2 2 5 11 10 14 12 4 19 38 31 23 13 10 6 4 6 13 27 24 20 10 11 7 5 5 3 5 7 6 13 20 24 17 5 31 55 44 33 22 15 5 8 4 22 42 39 31 22 16 7 7 4 3 7 10 13 21 29 31 24 8 43 72 66 49 25 11 10 8 0 31 61 59 39 24 17 14 8 1 5 15 19 18 25 45 46 33 11 50 85 72 54 28 16 10 5 -3 41 77 66 48 28 22 14 6 -1 9 25 26 23 31 52 50 37 12 53100 78 60 33 19 11 7 1 45 84 67 51 34 24 14 9 2 11 22 22 27 35 51 51 40 13 21 44 38 32 18 10 6 5 1 18 31 35 25 18 11 5 6 1 5 6 11 9 15 21 20 20 6 !Region 7: Section 7->9 -1 -1 1 3 0 2 6 2 0 0 -1 1 -1 0 1 4 1 0 0 0 0 -3 0 0 3 1 0 -1 -2 -2 2 5 7 13 13 1 -1 -1 -3 -2 2 5 3 6 -1 0 0 -3 -4 2 2 -3 2 -2 2 1 -1 4 16 13 22 20 6 2 3 -3 1 6 5 10 9 1 1 4 -5 -1 1 1 1 1 -3 2 3 4 4 17 27 37 26 7 0 1 0 1 7 11 14 10 3 -1 0 -2 -1 1 2 -1 0 1 0 1 3 11 23 41 48 39 12 0 2 2 3 6 16 19 16 4 0 3 3 -2 -2 0 1 1 -2 1 7 10 18 29 62 68 54 18 0 2 6 4 9 24 26 25 6 -1 -1 3 0 0 2 2 5 -2 1 10 18 22 36 69 74 59 19 1 4 6 6 12 26 27 23 8 1 1 -1 -4 0 1 -3 1 1 3 6 13 29 40 68 79 62 20 1 3 6 10 15 24 30 22 8 0 2 3 -1 2 -1 -2 -1 0 1 2 5 8 16 29 31 29 8 -1 0 4 2 6 9 12 11 3 -1 0 3 -1 -1 -3 0 0 0 I/Sigma = 41.66 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.201 Region 8 Sum = 7379.38; Maximum = 84.4413; FM = 0.601 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 1 1 1 0 0 3 5 6 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 5 9 9 4 2 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 -1 -1 3 9 13 11 5 3 1 1 0 0 0 -1 1 0 -1 0 0 0 1 2 0 2 0 -1 -1 0 0 4 13 16 13 6 3 0 1 0 0 1 0 0 0 0 0 -1 0 1 1 1 1 0 0 -1 -1 -1 4 13 17 13 7 3 1 1 0 0 0 0 0 0 0 0 -1 0 1 1 2 1 1 0 0 0 0 5 13 17 13 9 5 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 1 0 0 5 15 20 13 9 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 2 8 11 5 5 3 1 1 0 !Region 8: Section 4->6 0 2 3 4 4 2 1 1 0 0 1 2 4 6 6 6 2 0 0 1 1 4 7 14 15 4 1 1 6 11 15 10 5 3 2 1 1 5 9 16 19 17 12 6 1 0 2 5 14 28 37 32 15 3 2 12 22 24 15 8 4 2 1 1 9 20 29 31 27 18 8 2 1 4 10 26 47 55 46 20 5 6 22 34 34 20 13 5 3 1 4 17 33 47 44 38 25 13 4 2 7 17 41 64 72 61 31 8 8 30 46 43 27 15 6 4 2 6 25 51 64 59 50 30 17 4 2 11 29 56 77 89 68 36 10 9 34 54 51 32 18 9 5 2 8 34 66 81 70 57 36 19 6 4 17 38 67 87 98 76 44 13 10 39 61 57 39 22 10 5 2 10 46 82 92 81 61 38 23 6 5 26 49 72 90 92 76 46 13 11 42 66 62 45 25 10 5 2 12 50 87100 89 63 35 19 6 6 26 50 73 86 86 64 39 12 4 21 33 23 24 14 4 2 1 3 24 44 41 46 27 17 8 2 1 11 27 33 43 31 32 13 4 !Region 8: Section 7->9 0 1 1 2 6 14 14 5 2 0 0 1 1 2 4 4 2 1 0 0 0 0 0 0 0 1 0 0 1 3 9 21 33 31 16 4 0 0 0 1 4 9 10 7 2 0 0 0 0 0 0 1 2 1 1 1 5 15 34 46 43 20 6 1 1 1 2 6 11 12 7 4 0 1 0 0 0 0 0 0 1 1 3 7 22 44 58 55 29 8 1 1 1 4 8 13 15 10 4 1 0 0 1 0 0 0 1 1 1 4 10 28 49 69 59 32 9 0 1 1 4 10 17 15 10 3 0 0 0 0 1 1 1 1 1 1 6 12 30 49 70 63 37 11 1 2 1 4 8 14 16 9 3 0 0 -1 0 0 1 1 1 0 1 8 14 28 47 60 61 36 11 0 1 1 3 7 11 16 10 3 0 0 0 0 1 0 1 1 0 1 6 12 26 39 52 46 30 9 0 1 1 3 5 9 11 7 2 0 0 0 0 0 1 1 1 0 0 2 6 12 17 19 23 9 3 0 0 -1 2 2 3 5 2 1 0 0 -1 0 1 0 1 0 0 I/Sigma = 110.09 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.079 Region 9 Sum = 58775.3; Maximum = 905.839; FM = 0.862 !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 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 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 6 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 2 5 9 10 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 1 2 5 8 11 9 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 1 2 4 7 8 8 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 2 4 5 6 6 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 3 4 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 0 !Region 9: Section 4->6 0 1 4 5 4 2 1 0 0 1 3 9 11 10 7 3 1 0 1 4 10 11 12 9 4 1 0 1 4 13 23 22 14 5 1 0 1 9 28 47 47 32 12 3 1 2 11 27 41 41 28 12 3 1 1 4 16 29 36 27 10 3 1 2 11 36 67 80 60 25 6 2 3 15 37 68 75 53 24 7 1 1 4 16 34 46 38 18 5 1 2 9 34 76100 86 44 14 2 2 13 38 80 95 81 44 15 2 1 5 16 33 47 46 25 10 2 1 7 32 71100 98 59 24 5 1 8 33 71 97 90 57 26 5 1 5 14 30 44 46 30 14 3 1 6 26 62 93 98 67 31 7 1 5 23 57 84 86 61 29 7 1 4 9 19 28 30 22 12 3 1 4 15 38 60 66 51 28 8 0 3 13 34 57 63 50 27 7 1 3 7 14 19 21 16 8 2 1 3 10 23 37 44 37 21 6 0 2 7 17 31 41 36 21 7 0 1 4 6 9 10 8 5 1 0 1 4 10 16 18 15 9 3 0 1 2 6 10 11 10 6 2 !Region 9: Section 7->9 0 2 4 5 6 5 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 15 15 11 6 3 1 0 1 1 2 2 2 2 2 1 0 0 0 0 0 0 0 1 0 1 7 15 26 26 19 10 4 1 0 1 1 2 3 3 2 2 1 0 0 0 0 0 0 0 1 0 1 6 15 30 34 29 17 8 1 0 1 1 2 3 3 3 3 1 0 0 0 0 0 0 1 1 1 1 3 12 26 35 32 23 13 2 0 0 1 2 4 4 4 5 1 0 0 0 0 0 0 1 1 1 0 2 8 19 29 29 22 13 3 0 0 1 1 3 3 4 3 1 0 0 0 0 0 0 1 1 0 0 1 4 11 19 23 19 12 3 0 0 0 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 0 1 2 5 10 15 15 10 3 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 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 (202 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) 202 0 202 8.6995 0.9538 10.168 107.852 Orientation ('UB') matrix: 0.1438076 0.0359007 -0.0040687 0.0301501 -0.0026619 0.0770872 0.0659590 -0.0770560 -0.0045586 A B C Alpha Beta Gamma Vol 6.2507 11.7577 13.0189 90.000 96.632 90.000 950.41 0.0005 0.0008 0.0015 0.000 0.006 0.000 0.21 Corrected for goodness of fit: 0.0014 0.0023 0.0044 0.000 0.017 0.000 0.63 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.073 96.140 24.324 Goniometer zeros (deg): 0.0000* 0.0380 0.0000* 0.0302 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8281 -0.0153 0.0694 -0.0168 -0.1234 0.7806 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.56479e+04 5.15005e+03 3.02 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 176 Average input ESD (pix, pix, deg): 0.17729 0.16634 0.05471 Goodness of fit: 3.20612 3.14753 2.46848 Average missing volume: 0.034 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:26:38 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 94.74% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.78 0.78 2.27 1.000 2_0003 2 0.13 0.07 -0.17 0.13 0.09 0.24 34874 40 0 0.64 21 0.78 0.78 2.27 1.000 3_0004 6 0.19 0.19 -0.09 0.30 0.33 0.29 34325 31 17 0.39 30 0.78 0.78 2.27 1.000 4_0005 8 0.06 0.04 0.06 0.27 0.14 0.10 25156 36 13 0.67 28 0.78 0.78 2.27 1.000 5_0006 8 0.23 0.08 -0.06 0.38 0.11 0.21 77882 55 0 0.60 26 0.78 0.78 2.27 1.000 6_0007 11 0.10 0.11 -0.00 0.18 0.15 0.18 60204 42 9 0.65 32 0.78 0.78 2.27 1.000 7_0008 8 0.16 0.01 0.01 0.30 0.13 0.07 38589 35 0 0.73 31 0.78 0.78 2.27 1.000 8_0009 6 0.20 0.15 -0.19 0.40 0.27 0.31 35665 38 0 0.82 27 0.78 0.78 2.27 1.000 9_0010 8 0.11 -0.00 0.02 0.24 0.16 0.09 22556 28 0 0.71 26 0.78 0.78 2.27 1.000 10_0011 6 -0.00 0.10 0.01 0.13 0.12 0.08 71892 55 0 0.67 28 0.78 0.78 2.27 1.000 11_0012 12 0.05 0.08 0.08 0.11 0.12 0.32 36007 31 8 0.70 27 0.78 0.78 2.27 1.000 12_0013 6 0.26 -0.05 0.01 0.50 0.27 0.10 61624 65 0 0.67 30 0.78 0.78 2.27 1.000 13_0014 9 0.12 0.08 0.04 0.20 0.15 0.10 32815 34 0 0.72 27 0.78 0.78 2.27 1.000 14_0015 9 0.14 0.06 0.07 0.23 0.12 0.30 57329 38 0 0.68 30 0.78 0.78 2.27 1.000 15_0016 9 0.00 -0.01 0.00 0.22 0.15 0.08 78697 63 0 0.70 36 0.78 0.78 2.27 1.000 16_0017 5 0.06 0.10 -0.09 0.14 0.10 0.13 39084 34 0 0.79 33 0.78 0.78 2.27 1.000 17_0018 12 0.02 0.09 -0.09 0.12 0.11 0.24 24762 30 8 0.66 29 0.78 0.78 2.27 1.000 18_0019 4 0.26 -0.16 0.01 0.72 0.46 0.11 15491 20 25 0.65 27 0.78 0.78 2.27 1.000 19_0020 6 0.05 0.06 0.04 0.08 0.08 0.11 37901 30 0 0.58 26 0.78 0.78 2.27 1.000 Background pixels updated = 95.31% 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 0.06 -0.02 0.25 0.15 0.18 34903 36 0 0.77 28 0.78 0.78 2.27 1.000 21_0022 10 0.09 0.00 0.02 0.18 0.09 0.06 21446 25 0 0.71 29 0.78 0.78 2.27 1.000 22_0023 7 0.08 0.11 -0.03 0.24 0.15 0.06 52481 40 0 0.65 28 0.78 0.78 2.27 1.000 23_0024 8 0.00 0.11 -0.08 0.15 0.13 0.10 61295 46 0 0.78 35 0.78 0.78 2.27 1.000 24_0025 7 0.17 -0.02 -0.08 0.35 0.25 0.12 44668 41 14 0.65 26 0.78 0.78 2.27 1.000 25_0026 10 -0.00 0.06 0.02 0.14 0.08 0.08 63055 54 10 0.69 26 0.78 0.78 2.27 1.000 26_0027 6 -0.01 0.10 0.30 0.09 0.14 0.73 33127 34 0 0.75 28 0.78 0.78 2.27 1.000 27_0028 13 0.18 0.00 -0.03 0.37 0.21 0.10 25125 24 0 0.74 29 0.78 0.78 2.27 1.000 28_0029 6 0.17 0.04 0.02 0.30 0.15 0.08 26269 27 0 0.51 27 0.78 0.78 2.27 1.000 29_0030 8 0.07 0.10 0.01 0.22 0.14 0.10 16879 23 13 0.67 29 0.78 0.78 2.27 1.000 30_0031 4 0.20 0.06 -0.07 0.47 0.12 0.11 11739 11 25 0.62 32 0.78 0.78 2.27 1.000 31_0032 6 0.08 0.05 -0.02 0.30 0.10 0.12 68305 40 17 0.75 33 0.78 0.78 2.27 1.000 32_0033 9 0.24 0.01 -0.07 0.65 0.21 0.26 26842 33 0 0.74 30 0.78 0.78 2.27 1.000 33_0034 9 -0.01 0.09 -0.10 0.10 0.15 0.14 150999 85 0 0.73 28 0.78 0.78 2.27 1.000 I/Sigma = 54.72 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.024 Region 1 Sum = 13598.3; Maximum = 150.016; FM = 0.775 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 3 2 4 2 1 0 0 0 3 7 7 12 6 2 1 1 1 0 0 0 0 0 0 0 0 0 4 7 8 6 2 1 1 1 0 9 22 29 24 14 5 2 1 1 0 1 0 0 0 0 0 0 0 5 9 9 6 3 1 1 1 0 11 26 30 23 12 5 2 1 1 0 0 0 0 0 0 0 0 0 5 9 10 6 3 1 1 1 1 13 33 42 32 17 7 3 2 1 0 0 0 0 0 0 0 0 0 3 6 7 5 2 1 1 1 0 9 23 32 27 17 7 3 1 1 0 0 0 0 0 0 0 0 0 2 6 8 5 3 2 1 1 0 9 25 36 30 19 8 3 2 1 0 0 0 0 0 0 0 0 0 1 4 5 4 2 1 1 1 0 6 18 30 28 20 9 3 2 1 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 1 1 0 3 10 16 16 12 6 3 1 1 0 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 0 0 2 7 12 9 7 4 1 1 0 !Region 1: Section 4->6 2 8 12 17 13 7 3 1 0 1 5 10 16 21 17 10 5 1 0 2 4 8 20 20 15 9 2 9 28 45 49 38 20 9 3 1 4 15 31 47 53 43 26 11 3 1 4 10 25 39 41 31 16 4 10 32 48 48 35 19 9 4 1 5 20 40 59 63 48 28 14 3 2 6 17 38 53 51 37 22 5 16 48 72 70 50 27 12 5 1 8 29 55 77 80 61 36 18 5 2 9 23 51 70 68 49 28 8 12 39 63 68 56 33 14 6 2 7 28 56 81 89 72 45 23 6 2 9 24 48 69 70 53 32 9 13 42 68 73 58 33 14 6 2 8 30 62 93100 76 46 23 7 2 10 29 63 87 87 65 40 12 9 33 61 72 61 36 17 7 2 6 24 51 78 87 73 47 23 7 2 8 20 43 64 71 57 34 11 4 18 35 44 40 27 14 6 2 3 15 35 56 66 59 42 22 6 1 6 16 33 52 61 53 34 11 3 12 23 27 25 15 6 3 1 2 9 20 32 38 26 13 7 2 1 3 10 19 30 20 13 10 4 !Region 1: Section 7->9 0 1 1 1 7 10 8 6 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 2 7 12 15 14 9 3 0 0 0 1 1 2 2 3 1 0 0 0 0 0 0 0 1 0 0 1 3 9 17 22 18 13 4 0 0 1 1 2 3 3 4 2 0 0 0 0 0 0 0 1 1 1 2 5 16 27 31 26 17 6 0 1 1 1 3 5 5 5 2 0 0 0 0 0 0 1 1 1 1 2 5 12 21 27 25 18 7 0 1 1 1 3 4 5 6 4 0 0 0 0 0 0 1 1 1 1 2 6 17 32 44 37 27 9 0 1 1 1 4 9 8 8 4 0 0 0 0 0 0 1 1 1 1 2 4 10 21 31 30 22 8 0 0 1 1 2 6 7 7 4 0 0 0 0 0 0 1 1 1 0 1 3 8 18 30 32 24 10 0 0 1 2 3 8 10 10 5 0 0 0 0 0 1 2 3 1 0 1 2 4 9 7 7 8 3 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 0 0 0 I/Sigma = 248.89 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.035 Region 2 Sum = 188383; Maximum = 2987; FM = 0.899 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 4 4 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 3 1 0 0 0 1 5 14 20 14 6 2 0 0 0 0 0 0 1 0 0 0 0 0 1 2 4 3 2 1 0 0 2 8 21 29 24 12 4 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 2 1 0 0 3 10 21 30 28 16 6 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 4 13 24 31 30 19 6 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 8 20 30 29 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 5 13 24 21 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 8 13 10 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 !Region 2: Section 4->6 0 1 7 9 10 10 4 1 0 0 1 5 8 9 9 4 1 0 0 0 1 3 3 3 1 0 0 0 3 14 41 53 35 14 3 0 0 2 11 35 48 31 11 2 0 0 1 4 10 14 11 4 1 0 1 4 24 62 85 66 28 7 0 1 4 21 59 83 63 25 5 0 0 2 9 21 29 23 10 2 0 1 8 33 69 90 78 40 11 1 1 8 34 72 92 77 35 8 1 0 5 19 35 39 32 16 4 1 1 12 44 79 98 88 51 14 1 1 12 47 84100 84 45 11 1 1 6 26 46 48 36 20 7 1 1 7 29 66 92 85 47 12 1 1 9 34 72 92 83 44 12 1 1 5 19 39 49 41 22 8 2 1 4 18 42 68 64 35 10 1 1 5 20 45 65 62 34 10 1 0 3 11 26 36 34 22 9 2 0 2 8 25 38 32 20 8 1 0 2 9 27 38 33 20 8 1 0 1 5 15 22 20 13 7 1 0 1 2 7 11 9 4 1 0 0 0 2 7 11 9 5 1 0 0 0 1 4 8 9 6 3 1 !Region 2: 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 2 4 5 5 3 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 9 10 8 5 2 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 4 12 18 17 14 9 4 1 0 1 3 5 5 5 4 2 0 0 0 0 0 1 1 1 0 0 0 3 15 26 25 18 12 6 1 0 1 4 7 7 6 5 3 1 0 0 0 0 1 1 1 1 0 0 3 9 21 30 25 15 8 2 0 1 3 6 9 8 5 3 1 0 0 0 0 1 1 1 1 0 0 2 6 15 23 24 18 10 2 0 1 2 4 7 8 6 4 1 0 0 0 0 1 1 0 0 0 0 1 3 8 14 14 11 7 2 0 0 1 3 4 5 4 3 1 0 0 0 0 0 0 1 0 0 0 0 1 2 6 8 6 4 1 0 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 124.14 Thresh = 0.020 Blend = F #Contributing = 37 InitialProfileWt = 0.046 Region 3 Sum = 72621; Maximum = 1273.6; FM = 0.867 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 2 3 5 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 1 0 1 3 5 8 11 14 12 5 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 1 0 1 3 6 10 15 17 14 5 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 1 0 1 3 7 14 19 19 12 4 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 1 4 11 20 23 19 8 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 1 4 10 20 20 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 8 15 13 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 5 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 !Region 3: Section 4->6 0 0 1 3 4 7 11 9 2 0 1 1 3 5 9 12 7 1 0 0 1 1 3 6 6 2 0 0 2 4 9 16 26 35 29 11 0 1 4 9 19 31 37 27 10 0 1 2 5 11 18 17 9 2 0 2 7 17 31 41 45 33 12 0 3 8 25 48 54 51 30 9 0 2 5 17 32 32 24 11 2 0 3 10 28 48 57 48 29 9 1 4 17 53 79 74 52 27 7 0 3 14 42 56 43 23 10 2 1 4 15 41 66 64 45 19 4 1 8 32 81 99 78 45 16 3 1 7 29 68 64 42 20 6 1 1 4 18 44 69 59 31 9 1 2 13 44 86100 70 32 9 1 2 15 42 71 65 39 16 4 1 0 3 15 38 51 37 14 3 1 3 14 40 72 74 47 17 4 1 4 18 41 59 52 32 11 3 0 0 3 11 24 28 16 6 2 0 2 11 27 48 46 25 9 2 0 4 16 29 43 37 22 8 2 0 0 1 4 8 9 5 2 1 0 1 5 11 20 16 9 4 1 0 1 7 12 19 14 8 4 1 0 !Region 3: Section 7->9 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 1 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 8 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 14 9 4 2 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 9 20 16 9 4 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 15 22 18 10 4 1 0 0 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 2 9 16 20 17 11 4 2 0 1 2 3 3 3 2 1 1 0 0 0 1 1 1 0 0 0 0 2 9 13 17 15 9 4 2 0 1 3 4 4 3 2 2 1 0 0 0 1 1 1 1 0 0 0 1 5 6 8 6 4 2 1 0 0 2 2 2 2 2 1 1 0 0 0 0 0 1 0 0 0 0 I/Sigma = 31.51 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.301 Region 4 Sum = 5523.02; Maximum = 97.3624; FM = 0.706 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 -1 0 1 7 11 11 5 2 0 0 0 0 0 0 0 0 0 0 -1 0 0 1 2 0 1 1 0 -1 0 2 13 20 23 13 5 1 -1 0 0 0 0 0 0 1 0 0 0 0 1 2 1 1 1 1 0 0 3 12 19 22 13 4 2 0 0 0 0 0 0 0 0 0 -1 0 0 1 1 1 1 0 0 -1 0 1 10 17 20 12 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 5 11 16 10 4 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 1 4 7 12 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 9 6 4 1 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 1 1 0 0 1 0 2 4 5 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 !Region 4: Section 4->6 1 13 27 29 15 8 1 1 0 1 8 21 24 17 10 2 1 0 0 1 5 7 7 4 1 1 0 5 33 55 72 42 17 4 1 0 3 25 47 67 46 19 5 2 1 1 6 13 21 18 9 3 2 1 6 31 58 75 46 16 5 1 0 4 26 54 78 54 22 7 2 0 1 7 17 29 25 13 4 2 1 4 27 56 82 48 19 6 1 0 4 25 59100 65 29 9 2 0 1 7 22 46 37 19 6 2 1 2 18 44 73 50 22 6 2 1 3 20 54 99 74 37 10 2 1 1 8 24 54 48 27 8 2 1 2 11 31 61 44 21 6 1 1 2 13 42 94 74 40 11 2 0 1 7 23 62 58 35 11 2 0 1 6 19 44 37 19 5 1 0 2 8 31 77 76 43 12 4 1 1 5 21 64 71 42 14 5 1 1 3 11 27 26 15 5 2 1 1 4 22 58 64 44 16 4 1 1 3 19 56 73 53 22 7 1 0 1 3 11 10 6 2 1 0 0 1 6 24 28 24 8 2 0 0 1 6 23 34 34 13 3 1 !Region 4: Section 7->9 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 3 4 5 3 0 1 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 9 10 6 1 1 1 0 0 0 0 2 1 -1 1 1 0 0 0 0 0 0 0 0 0 0 1 5 13 15 9 4 2 1 0 1 0 1 2 1 1 1 0 0 1 0 0 1 0 0 0 0 0 2 5 18 21 13 6 2 0 0 1 0 1 2 1 1 1 0 0 1 0 0 1 0 -1 0 0 0 2 7 23 28 17 8 4 1 0 0 1 3 3 2 2 2 1 0 0 0 1 1 0 0 0 0 0 1 7 23 33 25 13 5 1 0 0 0 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 3 10 16 17 9 3 1 0 0 0 1 2 2 3 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 16.76 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 5 Sum = 1753.28; Maximum = 24.8275; FM = 0.623 !Region 5: Section 1->3 0 0 0 -1 -1 0 0 -1 0 0 1 2 -1 -1 0 0 -1 0 1 3 7 4 1 1 1 -2 0 -1 -1 0 -2 -2 0 2 0 -1 0 3 5 -3 -1 -1 2 1 0 5 18 21 6 3 0 3 3 0 -1 0 2 -1 -1 -2 1 0 0 0 4 8 0 0 -3 1 0 -1 7 26 28 13 4 0 2 1 -1 0 3 1 1 0 0 1 1 0 1 5 5 3 3 0 1 2 0 6 25 25 16 8 2 2 2 -1 0 0 0 0 -2 -3 0 0 0 1 3 2 3 0 -3 0 -1 -1 5 20 21 17 9 4 1 1 0 0 0 1 -1 -3 -2 -2 0 1 1 3 3 1 -3 -1 -2 2 1 4 16 19 13 8 6 1 1 1 0 0 -2 -2 -2 0 1 5 1 0 2 1 -1 -2 0 2 5 1 2 12 18 12 9 3 2 4 1 0 2 1 0 -3 -1 -1 2 0 1 4 4 2 -2 -1 -1 2 0 1 6 15 11 7 2 3 3 0 0 0 -1 -1 -2 0 1 1 0 0 1 1 0 -2 0 1 1 0 0 1 4 3 3 0 1 1 0 !Region 5: Section 4->6 1 4 13 10 5 4 1 -1 0 1 3 10 11 9 7 3 2 0 0 1 3 6 7 5 4 3 0 6 26 34 19 13 6 5 3 0 3 16 26 24 20 14 7 4 1 1 5 9 16 12 12 9 7 3 11 45 47 34 13 6 5 2 0 6 30 40 43 26 15 11 6 1 2 11 18 30 23 15 18 10 2 11 50 56 43 22 10 7 3 0 7 38 54 61 44 32 22 9 1 2 12 24 44 42 39 31 16 2 9 42 56 46 27 16 7 6 1 7 41 64 68 57 47 30 17 3 4 20 32 50 63 65 48 25 5 7 32 50 42 36 26 10 6 1 7 30 60 70 82 72 44 25 4 4 14 34 53 89 91 71 41 7 4 23 38 37 37 22 10 8 1 5 20 43 57 81 76 53 34 5 2 10 27 43 82100 89 64 11 2 12 28 26 30 21 12 7 1 3 13 31 44 65 77 56 35 5 2 6 19 38 64100 95 66 10 0 1 8 9 12 6 6 2 0 0 2 11 15 25 25 28 11 1 0 2 8 13 21 32 46 23 1 !Region 5: Section 7->9 0 0 0 2 2 1 2 1 0 0 -1 -1 1 -1 -1 1 0 0 0 -1 -1 1 -1 -1 1 0 0 0 -1 0 4 3 4 5 2 1 -1 -4 -2 -2 -1 -1 2 -3 0 0 -3 -1 -1 -1 -1 1 -2 0 0 3 4 9 7 4 11 7 1 0 0 1 0 0 -3 2 2 0 0 -1 0 -1 -1 -2 1 0 0 0 2 4 12 16 16 16 8 1 0 1 -1 -1 1 -1 2 0 1 0 0 -1 -1 0 -1 0 0 0 2 6 6 15 27 32 25 12 3 1 2 0 0 3 3 2 0 0 0 0 -1 -1 1 1 -1 0 0 1 4 10 16 36 41 39 24 4 0 1 3 1 3 4 5 3 0 0 0 1 0 0 1 0 0 0 0 3 8 13 31 45 49 37 5 0 0 1 -1 1 2 6 2 -1 0 0 0 -1 0 0 1 -2 -1 1 1 4 11 24 44 54 38 6 1 0 -3 -3 0 4 8 3 0 0 0 -1 -2 -1 0 1 -1 0 0 1 2 4 7 15 27 13 1 0 0 -1 0 0 2 6 2 0 0 0 0 0 0 0 2 1 0 I/Sigma = 19.93 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 1955.44; Maximum = 33.4354; FM = 0.737 !Region 6: Section 1->3 0 -1 -1 -1 -1 -1 0 -1 0 0 -2 -2 0 -1 -1 0 -1 0 0 -1 0 1 0 0 0 0 0 0 0 -1 0 0 0 1 0 0 0 -1 -1 1 0 0 2 0 0 0 3 5 4 1 1 1 0 0 0 0 -1 0 0 -1 -1 1 0 0 2 0 1 1 -1 1 2 0 1 8 7 8 4 1 2 2 0 0 1 0 0 0 0 1 2 0 1 4 2 1 1 0 2 4 1 2 10 9 9 5 2 3 4 1 0 1 0 -1 -1 -1 0 0 0 0 2 1 -1 0 -1 2 1 0 1 9 8 7 4 2 3 1 0 0 1 0 -2 -2 -2 -1 1 0 1 3 1 -3 -2 -1 0 2 0 1 10 10 6 4 2 1 3 0 0 1 0 -2 -1 -1 -1 -1 0 0 2 1 -3 -1 -1 -1 -1 1 1 10 9 5 6 2 0 1 0 0 -1 -1 -1 0 -2 -2 -2 0 0 -1 -1 -1 1 -2 -2 -2 0 1 6 6 5 4 2 0 1 0 0 -1 0 0 0 0 0 -1 0 0 -2 0 1 0 0 0 0 0 0 1 2 2 0 1 1 1 0 !Region 6: Section 4->6 0 3 4 2 2 1 1 1 0 0 4 6 3 4 1 2 1 0 0 2 2 1 2 0 1 1 0 1 12 19 14 9 5 2 1 0 2 13 24 16 15 9 5 1 0 1 5 9 6 7 4 4 2 1 4 27 38 38 24 13 7 3 0 4 30 51 52 40 24 10 4 0 2 11 21 23 20 13 9 5 1 6 36 52 54 36 23 15 9 1 6 47 79 83 61 42 28 15 2 2 19 36 39 33 24 19 12 2 5 38 54 62 48 31 26 14 1 6 51 81100 86 59 50 26 2 2 21 38 48 46 35 33 21 3 5 39 54 61 56 34 27 16 2 6 50 78 96 99 69 53 30 3 3 21 36 47 52 41 38 28 4 4 35 46 50 45 30 21 12 2 4 44 66 78 75 59 46 23 3 2 18 29 37 40 35 34 24 4 3 23 30 41 33 30 15 10 1 3 26 40 65 56 56 31 18 2 1 10 17 31 30 31 23 19 4 1 7 10 15 11 15 9 5 0 1 8 14 24 19 26 16 7 0 0 2 6 11 9 13 9 6 1 !Region 6: Section 7->9 0 1 0 0 0 0 1 1 0 0 1 0 -1 0 1 0 1 0 0 0 -1 -2 0 1 0 0 0 0 1 1 1 2 1 4 3 1 0 1 1 1 1 2 1 1 0 0 1 1 -1 1 1 0 0 0 0 0 2 0 3 3 7 4 1 0 -1 0 -2 2 1 3 1 1 0 0 0 -2 1 0 -1 0 0 0 1 2 4 6 4 7 7 2 1 0 -1 1 3 1 1 2 1 0 0 -1 0 1 0 -1 0 0 0 1 3 6 7 8 10 13 3 1 1 -1 3 1 3 3 6 2 1 1 -2 0 0 0 0 1 1 0 3 5 5 6 7 15 19 4 0 2 1 1 0 1 5 7 2 0 1 -1 0 -1 0 0 1 0 0 -1 1 5 8 6 14 16 4 0 -3 -1 2 2 2 3 4 2 0 -1 0 1 0 1 -2 -1 0 0 -2 0 5 5 5 9 14 4 0 -4 -2 2 0 0 1 3 1 0 -2 -1 0 -3 -1 -1 -1 0 0 -1 0 1 1 1 2 4 1 -1 -1 -1 0 0 -1 1 1 0 0 -1 -1 0 0 -1 0 0 0 I/Sigma = 22.52 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 7 Sum = 2638.82; Maximum = 27.4231; FM = 0.661 !Region 7: Section 1->3 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 -1 0 3 4 5 3 2 1 0 0 0 0 1 0 2 0 -2 -1 0 0 1 2 0 3 0 -2 0 0 3 15 14 12 11 5 2 1 0 -1 -1 1 -1 1 1 -1 0 0 -1 -1 0 -1 1 3 -1 0 1 3 19 23 15 15 11 2 1 0 0 0 2 2 0 1 0 0 0 0 0 3 3 0 1 1 1 1 4 29 32 22 20 11 4 2 1 0 1 1 2 0 0 2 0 0 0 0 3 4 1 3 4 1 0 7 30 35 27 20 13 6 3 1 1 1 2 2 1 -1 0 1 0 1 2 3 4 1 0 2 1 0 10 33 36 30 21 16 7 4 0 0 1 2 2 1 -1 1 1 0 0 2 3 3 3 -2 1 2 0 8 34 40 29 23 10 5 3 0 0 0 4 2 1 0 -1 2 0 0 0 6 5 3 0 -1 1 0 5 24 36 31 23 10 2 2 0 0 0 1 1 0 0 -1 0 -1 0 0 2 1 1 0 -3 0 0 1 8 18 12 11 5 0 0 0 !Region 7: Section 4->6 2 9 10 12 7 7 3 2 0 1 7 6 10 7 9 5 3 0 1 2 1 2 4 7 9 5 1 7 34 35 33 31 18 11 6 1 4 22 24 28 29 25 20 13 3 1 7 6 9 11 19 29 24 7 8 49 60 45 47 32 15 8 1 5 33 44 46 52 41 30 21 4 1 6 10 21 27 34 43 41 9 11 70 80 64 61 38 17 12 3 7 47 64 71 73 55 36 30 6 1 10 22 36 44 46 54 62 14 16 75 90 73 62 40 20 16 4 11 52 77 82 77 60 42 33 7 2 12 29 47 50 49 63 65 16 21 78 92 81 65 49 24 16 3 14 54 74 83 79 64 44 34 6 3 13 25 42 48 49 57 61 13 18 79100 77 65 43 21 13 2 12 54 79 75 77 65 38 25 3 2 11 24 35 45 50 46 47 11 11 58 85 74 62 37 16 8 2 7 42 63 63 64 49 27 16 3 1 10 15 25 35 33 27 28 8 2 21 42 28 28 15 6 2 1 1 14 28 22 24 15 11 4 1 0 3 4 7 11 9 10 8 1 !Region 7: Section 7->9 0 2 1 0 2 5 9 5 1 0 0 0 0 1 1 4 2 0 0 0 0 0 0 0 1 0 0 0 4 2 3 4 13 26 27 8 0 1 1 1 2 4 10 11 3 1 1 0 1 1 1 3 2 0 0 0 2 7 11 21 36 42 10 1 2 3 2 4 7 9 14 3 1 2 3 1 2 1 0 1 0 0 2 9 12 18 26 48 66 17 1 2 4 5 7 7 16 24 6 0 2 2 3 3 0 2 2 0 0 3 10 19 22 24 55 69 19 1 2 3 7 6 6 18 24 7 1 1 1 2 0 0 2 2 0 1 3 7 13 18 25 47 63 16 0 -1 0 3 5 9 16 23 6 0 -2 -1 2 1 3 2 2 1 0 1 4 10 18 23 36 51 14 0 -1 -2 0 7 5 10 19 6 0 -2 -1 -1 2 0 0 2 1 0 1 0 9 16 16 19 28 10 0 -2 -4 1 5 4 5 9 4 0 -2 -3 -1 0 -1 -1 1 0 -1 1 0 2 5 5 7 9 1 0 0 0 1 2 2 3 3 0 0 -1 0 1 0 1 0 0 0 I/Sigma = 37.92 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.201 Region 8 Sum = 7385.53; Maximum = 78.6154; FM = 0.756 !Region 8: Section 1->3 0 0 0 0 1 0 -1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 2 1 0 0 0 0 0 0 1 0 -1 0 0 0 1 2 1 1 1 0 0 0 1 4 7 9 7 5 2 0 0 0 0 1 0 0 0 1 0 0 0 2 3 1 2 0 1 0 0 1 6 11 14 11 6 3 1 0 0 1 0 1 1 0 1 0 0 0 2 2 3 2 1 1 0 0 2 9 15 19 13 8 5 2 0 0 0 1 1 0 0 0 1 0 0 3 4 4 1 1 1 1 0 3 14 22 25 17 9 5 3 1 0 0 0 0 0 0 0 0 0 2 4 3 3 2 1 1 1 0 6 18 23 27 19 10 5 3 1 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 1 1 0 5 18 23 26 21 10 6 3 1 0 0 1 0 -1 -1 0 1 0 1 2 4 2 1 0 1 2 0 4 15 22 23 19 10 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 5 8 9 10 4 2 1 0 !Region 8: Section 4->6 1 3 6 11 11 8 5 1 0 1 3 6 14 17 20 17 7 1 1 1 3 8 14 26 27 14 3 2 9 21 32 30 23 13 4 1 1 9 23 41 50 52 41 22 5 1 4 10 24 43 63 65 40 9 3 14 32 52 44 32 17 8 2 3 14 36 66 71 70 52 32 8 1 6 17 37 57 79 78 53 14 4 21 44 69 56 37 20 11 2 4 20 48 85 87 76 57 37 9 2 9 22 44 64 79 83 57 16 8 33 64 83 65 42 23 11 3 7 30 68 96 94 78 58 38 11 2 12 28 46 63 73 76 57 17 11 40 67 88 74 46 23 10 3 10 36 70100 98 78 52 30 9 3 12 26 42 57 64 60 44 14 11 40 65 89 79 47 24 9 3 10 35 65 98 98 72 44 23 7 3 10 22 38 48 49 41 31 10 8 32 62 74 66 38 18 8 2 6 27 62 78 75 51 29 16 4 2 8 20 29 33 31 24 18 5 3 12 23 29 31 15 6 3 0 2 8 23 29 32 20 9 5 1 0 2 8 10 12 13 7 5 2 !Region 8: Section 7->9 1 1 1 4 8 15 19 10 2 0 1 1 1 2 3 5 2 1 0 0 0 0 0 0 0 0 0 1 2 4 9 21 38 45 28 6 0 2 1 1 4 8 10 6 2 0 1 0 -1 1 0 0 0 0 1 3 6 12 25 45 51 36 9 0 1 1 1 4 9 11 8 2 0 0 0 -1 0 1 0 0 0 0 3 7 14 27 42 54 38 11 0 1 2 1 5 7 11 9 3 0 0 0 -2 1 0 1 1 0 0 3 7 13 24 36 47 36 11 0 1 2 2 3 7 10 8 2 0 1 1 0 1 1 0 0 0 0 2 4 9 19 28 32 27 9 0 1 0 1 3 4 5 6 2 0 0 0 0 0 0 0 0 0 0 1 3 7 13 18 21 18 7 0 0 0 0 2 2 4 4 1 0 0 0 0 0 -1 0 1 0 0 1 2 6 8 11 12 11 3 0 -1 -1 1 1 2 2 3 1 0 -1 -1 0 0 0 0 0 0 0 0 1 2 3 4 3 3 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 -1 0 0 I/Sigma = 111.41 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.090 Region 9 Sum = 49254.1; Maximum = 888.107; FM = 0.886 !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 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 5 8 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 0 0 0 0 2 6 11 12 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 0 3 7 14 15 10 4 1 1 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 1 3 8 13 15 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 3 2 1 0 0 1 2 6 11 13 11 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 0 0 2 4 7 10 9 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 !Region 9: Section 4->6 0 1 4 10 12 8 3 1 0 0 2 9 21 21 13 5 1 0 0 2 7 16 12 7 3 1 0 0 3 11 24 27 17 7 2 1 1 5 20 45 54 36 15 4 1 1 4 16 34 41 29 13 4 1 1 4 18 38 43 28 11 3 1 1 7 32 68 77 52 23 6 1 1 6 23 48 54 39 19 7 2 1 5 22 46 57 42 20 6 2 1 8 38 79 97 75 37 12 3 1 7 28 55 65 51 27 11 3 1 5 20 42 55 45 25 9 2 1 8 33 73100 85 48 18 4 1 5 22 52 72 62 36 15 4 1 5 17 35 47 42 26 11 2 1 6 25 56 79 75 50 22 5 0 4 15 36 53 53 38 19 6 1 3 13 29 40 38 25 12 3 0 4 18 43 63 62 42 21 5 0 2 9 24 38 39 29 16 6 0 2 5 14 21 23 18 10 3 0 2 7 20 35 39 31 17 5 0 1 4 12 22 25 20 12 4 0 1 2 5 7 7 5 2 1 0 1 2 6 12 13 10 5 1 0 0 1 3 7 10 8 5 2 !Region 9: Section 7->9 0 1 2 4 3 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 9 11 9 6 3 1 0 0 1 1 2 2 2 2 1 0 0 0 0 0 0 1 1 0 0 2 6 11 13 12 9 6 2 0 0 1 1 2 2 3 3 2 0 0 0 0 0 0 1 1 1 0 2 7 13 15 13 10 7 3 0 0 1 1 2 2 3 3 2 0 0 0 0 0 0 1 1 0 0 2 5 13 17 16 12 8 3 0 0 1 1 2 3 3 3 2 0 0 0 0 0 0 1 1 0 0 1 3 8 13 15 14 10 5 0 0 0 1 2 3 4 4 2 0 0 0 0 0 0 1 0 0 0 1 1 4 8 10 10 8 5 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 7 5 3 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 4 4 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 8.7005 0.9471 10.167 108.972 Orientation ('UB') matrix: 0.1437933 0.0359114 -0.0040854 0.0301845 -0.0026793 0.0770973 0.0659978 -0.0770170 -0.0045870 A B C Alpha Beta Gamma Vol 6.2502 11.7619 13.0165 90.000 96.624 90.000 950.52 0.0004 0.0006 0.0015 0.000 0.006 0.000 0.19 Corrected for goodness of fit: 0.0009 0.0013 0.0031 0.000 0.012 0.000 0.40 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.077 96.159 24.338 Goniometer zeros (deg): 0.0000* 0.0400 0.0000* 0.0353 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8935 0.0482 0.0662 -0.0749 -0.1117 0.8243 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.33952e+03 2.68557e+03 2.15 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 184 Average input ESD (pix, pix, deg): 0.18314 0.15529 0.06207 Goodness of fit: 2.45628 1.92042 1.91284 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 1.889 2.390 2.243 Average missing volume: 0.030 % with too much missing I: 1.220 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 2. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:26:39 Current XYZ spot size: 1.889 2.390 2.243 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): 0.264 0.276 0.326 Profile convolver halfwidth: 1.00 1.00 1.80 Background pixels updated = 94.70% 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 2.68 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.68 1.000 2_0003 2 0.03 0.02 0.00 0.03 0.02 0.01 48093 45 0 0.81 21 2.06 3.53 2.68 1.000 3_0004 6 -0.02 0.03 0.00 0.11 0.10 0.09 42474 35 0 0.47 30 2.55 3.23 2.67 1.000 4_0005 8 0.13 0.06 0.02 0.51 0.26 0.12 29741 38 13 0.76 27 2.66 3.67 2.64 1.000 5_0006 8 0.03 0.00 -0.03 0.17 0.12 0.12 87449 58 0 0.69 26 2.54 3.39 2.65 1.000 6_0007 12 -0.05 0.05 0.05 0.20 0.13 0.16 62776 41 8 0.72 32 2.59 3.43 2.81 1.000 7_0008 7 -0.06 0.01 0.05 0.13 0.16 0.09 48206 41 0 0.82 31 2.49 3.33 2.73 1.000 8_0009 6 0.05 0.03 -0.21 0.17 0.10 0.42 39669 40 0 0.88 28 2.54 3.33 2.79 1.000 9_0010 8 -0.21 0.13 0.09 0.52 0.29 0.14 25456 29 13 0.76 25 2.53 3.29 2.76 1.000 10_0011 6 -0.02 0.08 -0.02 0.15 0.14 0.07 82306 58 0 0.76 28 2.49 3.31 2.78 1.000 11_0012 11 0.07 0.01 0.04 0.28 0.22 0.27 45439 35 9 0.78 27 2.51 3.29 2.78 1.000 12_0013 8 0.03 0.01 0.01 0.10 0.05 0.03 49234 52 0 0.66 30 2.49 3.24 2.75 1.000 13_0014 8 0.06 0.01 0.00 0.15 0.10 0.06 46743 42 0 0.81 27 2.45 3.24 2.77 1.000 14_0015 9 0.06 0.02 0.03 0.25 0.19 0.13 63860 41 0 0.73 30 2.42 3.24 2.79 1.000 15_0016 9 -0.05 -0.10 0.00 0.20 0.18 0.07 89902 66 0 0.75 36 2.44 3.24 2.75 1.000 16_0017 5 -0.17 -0.03 0.09 0.32 0.25 0.19 42504 35 0 0.84 33 2.45 3.28 2.72 1.000 17_0018 12 -0.17 -0.04 -0.06 0.56 0.23 0.16 29734 32 0 0.73 29 2.40 3.28 2.70 1.000 18_0019 4 0.49 -0.38 -0.08 1.03 0.83 0.15 20208 22 25 0.71 25 2.41 3.29 2.71 1.000 19_0020 6 0.06 -0.01 0.01 0.08 0.05 0.05 45391 32 0 0.65 26 2.42 3.32 2.71 1.000 Background pixels updated = 95.03% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 11 0.10 0.00 -0.03 0.30 0.17 0.07 42247 39 0 0.83 28 2.38 3.31 2.70 1.000 21_0022 10 0.01 0.01 -0.01 0.22 0.22 0.08 30278 28 0 0.75 29 2.37 3.34 2.70 1.000 22_0023 7 0.01 0.04 -0.06 0.52 0.20 0.10 60131 43 0 0.71 28 2.35 3.33 2.71 1.000 23_0024 8 -0.03 0.08 -0.12 0.16 0.17 0.17 68268 49 0 0.83 34 2.40 3.43 2.74 1.000 24_0025 6 0.02 0.04 -0.08 0.11 0.06 0.09 60936 52 0 0.75 27 2.39 3.45 2.71 1.000 25_0026 10 0.03 0.04 -0.04 0.16 0.08 0.07 73598 59 0 0.75 25 2.37 3.46 2.71 1.000 26_0027 6 -0.23 0.13 0.03 0.43 0.19 0.11 39683 37 0 0.82 28 2.37 3.47 2.72 1.000 27_0028 13 0.09 -0.02 -0.06 0.20 0.26 0.11 32778 27 0 0.78 29 2.37 3.48 2.71 1.000 28_0029 6 0.21 -0.14 -0.07 0.45 0.40 0.09 38132 33 0 0.62 27 2.39 3.49 2.72 1.000 29_0030 8 0.07 -0.04 -0.09 0.21 0.34 0.13 22830 26 13 0.74 29 2.39 3.49 2.73 1.000 30_0031 4 0.57 0.24 -0.22 0.76 0.40 0.25 15364 13 0 0.66 30 2.40 3.51 2.74 1.000 31_0032 6 0.06 0.01 -0.21 0.24 0.06 0.35 78684 43 17 0.79 32 2.41 3.53 2.74 1.000 32_0033 8 0.02 0.10 -0.06 0.20 0.11 0.10 36521 39 0 0.78 30 2.40 3.55 2.73 1.000 I/Sigma = 55.82 Thresh = 0.020 Blend = F #Contributing = 56 InitialProfileWt = 0.027 Region 1 Sum = 18886.7; Maximum = 767.197; FM = 0.903 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 2 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 4 2 1 0 1 0 0 2 6 12 7 2 1 1 0 0 0 1 1 0 0 0 0 0 0 2 6 7 3 1 1 1 0 0 3 13 29 17 3 1 1 0 0 0 1 1 0 0 0 0 0 0 1 5 6 3 1 1 1 0 0 2 14 34 22 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 1 5 17 14 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 3 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 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 1 3 3 1 1 1 0 0 0 1 2 3 2 1 1 0 0 0 0 1 2 2 1 1 0 0 1 5 18 17 5 1 1 0 0 0 2 12 21 11 2 1 0 0 0 1 4 13 10 3 1 0 0 2 14 51 47 12 2 1 0 0 1 7 41 63 28 5 1 0 0 0 2 15 40 29 7 1 0 0 2 19 73 71 19 3 1 0 0 1 12 66100 47 9 2 0 0 1 4 27 68 50 14 2 0 0 1 9 41 49 16 3 1 0 0 1 6 39 72 40 9 2 0 0 1 2 17 50 46 15 3 0 0 1 2 9 13 6 1 0 0 0 1 2 9 20 14 4 1 0 0 0 1 5 15 18 8 2 0 0 0 1 1 2 1 1 0 0 0 0 1 2 3 2 1 1 0 0 0 1 1 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 12 14 6 2 0 0 0 0 1 2 4 3 2 1 0 0 0 0 0 1 1 1 0 0 0 1 6 23 27 12 3 1 0 0 1 1 5 8 6 3 1 0 0 0 0 0 1 2 1 0 0 0 1 4 18 29 15 4 1 0 0 1 1 5 10 8 4 1 0 0 0 0 0 1 2 2 0 0 0 0 2 7 15 10 3 0 0 0 0 1 2 6 6 3 1 0 0 0 0 0 1 2 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 1 2 2 1 0 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 I/Sigma = 151.15 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.041 Region 2 Sum = 131327; Maximum = 11047.4; FM = 0.819 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 5 17 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 1 10 28 15 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 4 15 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 3 0 0 0 0 0 0 2 6 2 0 0 0 0 0 0 0 2 1 0 0 0 0 0 1 14 45 19 1 0 0 0 0 1 15 49 18 1 0 0 0 0 0 7 22 8 0 0 0 0 0 2 34 85 37 2 0 0 0 0 2 43100 38 2 0 0 0 0 1 23 52 19 1 0 0 0 0 1 15 44 16 1 0 0 0 0 1 18 49 19 1 0 0 0 0 0 11 27 12 1 0 0 0 0 0 1 5 2 0 0 0 0 0 0 1 6 3 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 19 8 1 0 0 0 0 0 3 6 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 13 9 2 0 0 0 0 0 2 5 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 135.50 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.053 Region 3 Sum = 90858.7; Maximum = 6684.72; FM = 0.838 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 9 13 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 3 17 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 7 4 1 0 0 0 0 1 4 7 3 0 0 0 0 0 1 2 2 1 0 0 0 0 1 6 27 37 10 1 0 0 0 1 9 38 39 8 0 0 0 0 1 6 22 17 2 0 0 0 0 1 18 66 41 5 0 0 0 0 2 39100 46 5 0 0 0 0 2 34 64 21 2 0 0 0 0 1 15 37 12 1 0 0 0 0 4 35 57 15 1 0 0 0 0 6 36 41 9 1 0 0 0 0 0 3 4 1 0 0 0 0 0 2 8 9 2 0 0 0 0 1 4 11 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 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 11 16 4 1 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 16 15 4 1 0 0 0 0 2 4 4 2 0 0 0 0 0 0 1 1 0 0 0 0 0 1 4 9 7 3 1 0 0 0 1 3 5 3 2 1 0 0 0 0 1 1 1 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 2 2 1 1 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 I/Sigma = 34.71 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.301 Region 4 Sum = 9727.29; Maximum = 446.022; FM = 0.814 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 1 5 9 7 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 4 2 0 0 0 0 0 1 7 19 13 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 5 22 19 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 12 15 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 3 6 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 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 0 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 11 8 2 0 0 0 0 0 1 5 5 1 0 0 0 0 0 1 1 2 1 0 0 0 0 1 8 37 31 4 1 1 0 0 1 5 25 27 5 1 1 0 0 0 1 5 9 3 1 1 0 0 1 10 60 62 10 1 1 0 0 0 7 54 68 13 2 1 0 0 0 2 17 29 8 2 1 0 0 0 5 46 68 13 2 1 0 0 0 4 57100 23 2 1 0 0 0 2 28 65 20 3 1 0 0 0 1 15 34 10 2 1 0 0 0 2 27 76 28 3 1 0 0 1 1 22 81 38 6 1 0 0 0 1 3 7 4 1 1 1 0 0 1 6 29 19 3 1 0 0 0 1 9 47 35 7 1 0 0 0 0 1 1 0 1 0 0 0 0 0 2 5 5 2 1 0 0 0 0 2 10 11 4 1 0 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 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 2 2 1 0 0 1 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 1 1 6 20 8 2 1 0 0 1 0 1 2 2 2 1 0 0 0 0 0 1 0 1 1 0 0 1 0 9 36 22 6 1 0 0 0 0 1 5 6 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 5 28 25 8 1 0 0 0 0 1 5 9 5 2 1 0 0 0 0 1 2 2 1 0 0 0 0 2 8 11 6 2 0 0 0 0 0 3 7 6 2 0 0 0 0 0 1 2 2 1 0 0 0 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 I/Sigma = 15.42 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 5 Sum = 3299.64; Maximum = 122.965; FM = 0.751 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 -1 0 0 0 0 0 0 -1 -1 1 0 -1 0 2 1 1 0 -1 2 -1 -1 1 5 4 1 2 1 1 0 -1 0 0 0 0 0 -1 0 0 -1 2 5 6 2 1 -1 -1 -1 -1 4 16 20 11 4 1 -1 -1 -1 1 0 0 1 -1 0 -1 -1 -1 2 4 7 6 0 0 -1 -2 -2 3 15 33 29 9 2 0 -1 -1 0 -1 0 0 -1 -1 1 0 -1 0 -1 4 4 1 -1 2 0 -1 0 4 18 26 15 3 3 1 0 -1 -1 -1 0 -2 0 1 0 0 -1 -1 0 2 -1 1 2 0 0 0 0 3 10 8 4 3 2 0 0 -1 -1 -1 -1 -1 0 1 -1 0 -1 0 0 0 0 2 1 -1 0 0 1 1 1 1 3 1 -1 -1 0 0 -2 -1 0 1 -1 -1 -1 0 0 -2 -1 0 2 -1 -1 -1 0 0 0 0 1 2 0 -1 0 0 -1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 !Region 5: Section 4->6 0 1 0 0 1 0 -1 0 1 0 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 3 4 2 3 2 0 1 0 0 1 3 3 2 2 2 2 1 1 1 2 2 1 3 3 2 1 3 15 26 20 8 2 -1 1 0 1 7 16 17 10 5 2 2 0 1 3 6 8 5 5 4 3 0 2 17 49 58 27 6 2 1 0 1 9 31 50 39 15 5 2 1 1 5 11 20 28 20 7 2 1 0 6 28 63 48 17 4 2 1 0 5 20 67 85 54 14 2 1 1 4 8 33 77 76 26 5 1 0 0 6 22 30 16 5 3 0 0 1 6 27 61 63 27 6 1 0 2 3 15 58100 56 14 2 0 0 1 3 5 4 2 2 0 0 1 1 3 11 20 12 4 0 0 1 1 2 10 35 29 11 1 0 0 1 2 1 1 0 1 0 0 1 2 3 1 3 1 3 1 0 1 2 2 1 7 6 6 1 0 0 0 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 1 -1 0 1 1 1 0 !Region 5: Section 7->9 0 0 0 -1 1 1 0 1 1 0 -1 -1 -2 -1 0 -1 1 1 0 -1 -1 -2 -1 0 -1 0 1 0 0 1 0 1 3 0 1 0 -1 -1 -1 -3 0 -1 -4 0 0 -1 -1 -1 -3 0 -1 -3 -1 0 0 1 2 1 1 2 2 2 1 -2 -2 0 -3 -1 -1 -1 0 1 -1 -2 0 -2 -1 -1 -1 0 0 1 3 2 3 8 10 4 3 1 -1 0 -1 -2 -1 1 0 2 1 -1 -1 -1 -2 -1 0 0 1 0 1 3 1 8 30 41 17 5 1 0 0 -2 0 2 5 2 2 1 0 -1 -2 -1 -1 0 -1 0 1 0 1 1 4 23 58 39 13 2 -1 -2 -1 -1 1 9 8 6 1 -1 -1 -1 -1 -2 0 0 2 0 0 0 1 0 5 23 24 12 2 -1 -2 -1 -2 1 4 7 7 2 -1 -2 -1 -1 0 0 1 2 1 0 1 0 1 0 5 7 5 1 0 -1 -2 -1 -1 0 2 2 1 -1 -1 -1 -1 -1 -1 0 1 0 0 1 1 -1 0 1 1 1 0 0 1 0 -1 0 -1 0 1 0 0 0 0 0 0 -1 0 0 0 I/Sigma = 16.33 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 6 Sum = 2767.67; Maximum = 157.631; FM = 0.782 !Region 6: Section 1->3 0 -1 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 -2 -1 -2 -1 0 -1 0 -1 0 0 0 -1 -1 1 -1 0 0 0 1 1 1 0 2 0 1 1 -1 -3 -2 -2 -1 -3 -3 -1 0 0 -2 -1 -1 -1 -2 -2 0 0 1 1 2 1 1 -1 -1 1 1 0 -1 -1 -2 -2 -2 -2 -2 -1 1 2 3 1 0 -1 -1 -2 0 1 7 11 9 4 1 1 -1 1 0 -1 -2 -1 -2 -2 -1 -2 -1 1 4 3 2 -1 0 0 -2 -1 2 9 14 14 8 3 2 0 0 0 -2 -1 -1 -2 -2 -1 -1 -1 0 -1 0 0 0 -1 0 0 -1 1 1 5 8 5 2 3 1 0 0 -2 -1 -1 -2 -1 -1 -1 -1 0 -2 0 1 -1 -1 -1 0 0 0 0 1 3 1 1 1 1 1 0 -2 -1 1 -1 -2 -1 -1 0 0 -1 0 1 -1 -2 -2 0 0 0 1 2 2 -1 -1 0 1 1 0 -1 -1 0 0 0 -1 0 0 0 -1 0 1 0 0 -1 0 0 0 0 1 1 0 0 0 1 1 !Region 6: Section 4->6 0 0 0 1 0 0 1 0 0 0 0 0 0 0 -1 0 0 0 1 1 0 0 0 0 -1 0 0 0 1 1 1 1 1 -1 0 1 0 1 1 2 1 0 -1 0 0 1 2 1 2 1 1 -1 1 0 0 2 3 3 3 1 -1 0 0 0 1 3 3 4 3 0 -1 0 0 1 2 2 3 4 1 -1 0 1 8 21 32 27 10 3 0 1 0 6 18 38 43 22 5 0 0 1 2 6 16 23 20 7 1 0 1 10 30 57 61 32 10 1 0 1 7 28 75100 65 22 3 0 1 3 10 34 55 52 27 6 1 0 3 12 27 33 20 8 1 0 0 2 12 33 51 40 16 3 0 0 2 5 15 29 34 26 7 0 1 1 2 5 4 4 2 0 0 0 1 3 6 6 6 2 0 0 0 1 2 3 4 6 3 1 0 1 1 1 1 1 0 0 1 0 1 1 0 1 2 1 -1 0 0 1 0 0 2 2 2 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 -1 0 0 1 0 0 1 0 0 0 0 0 !Region 6: Section 7->9 0 0 0 -1 0 0 0 0 0 0 -1 -1 -1 0 0 0 0 0 0 -1 -1 -1 0 0 0 0 0 1 1 1 -1 0 0 -1 0 0 0 0 0 -2 -1 -1 -1 -1 0 0 0 0 0 0 0 -1 -1 0 0 0 1 1 1 2 0 0 1 0 -1 0 0 -1 0 0 0 0 0 -1 0 0 -1 0 0 -1 0 1 0 0 2 4 9 6 2 1 0 0 0 0 2 2 3 2 1 0 0 0 0 0 0 1 1 0 1 0 1 4 10 20 21 8 2 0 -1 0 0 2 5 9 6 1 -1 -1 0 -1 0 1 2 2 0 0 1 1 2 6 15 22 10 2 0 0 -1 -1 0 2 7 6 1 -1 0 -1 0 -2 -1 1 2 0 0 0 0 1 1 3 5 2 1 -1 -2 -2 -1 -1 0 2 0 0 -1 -1 -1 -1 -2 -1 0 -1 0 0 0 0 0 1 1 0 2 1 0 -1 -1 -1 0 0 -1 1 1 0 -1 -1 -1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 23.50 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 7 Sum = 4594.14; Maximum = 147.276; FM = 0.816 !Region 7: Section 1->3 0 0 0 1 0 0 -1 0 0 0 0 1 1 0 -1 -1 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 0 -1 0 0 0 0 0 1 1 0 -1 0 0 0 1 0 1 2 0 0 0 0 0 0 1 0 0 -1 1 0 0 0 -1 0 -1 1 -1 1 1 0 1 2 2 2 3 1 1 1 0 0 -1 1 1 0 0 1 0 0 0 -1 2 2 1 0 0 0 0 2 11 22 15 5 2 1 1 0 0 1 2 1 1 0 0 0 1 1 2 3 3 2 1 0 0 1 9 28 43 28 9 3 1 1 1 1 1 2 1 -1 0 -1 0 2 3 3 3 3 -1 0 -2 -1 2 8 19 33 25 5 2 0 -1 0 0 1 1 1 0 0 -1 -1 -1 0 0 1 1 0 0 -3 -1 1 2 2 7 7 2 1 0 0 0 0 0 1 1 0 0 -1 0 0 0 0 0 1 0 0 -2 -1 0 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 1 -1 0 0 0 0 1 1 1 1 0 0 !Region 7: Section 4->6 0 1 1 1 1 1 0 1 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 3 2 1 0 0 1 0 1 1 2 1 1 0 0 1 0 0 0 2 2 1 0 0 1 4 6 6 6 4 2 1 0 1 3 5 6 7 5 3 1 0 0 -1 2 3 9 10 4 0 1 6 25 52 44 19 9 4 2 1 4 15 38 46 33 19 6 2 0 1 3 11 25 43 35 9 2 2 17 58100 78 32 13 4 1 1 9 34 75 88 56 27 6 1 1 2 6 24 52 70 56 15 2 2 14 39 76 63 21 6 2 -1 1 7 24 52 57 31 11 3 0 1 1 4 13 27 32 27 10 2 2 5 6 16 16 6 2 1 0 1 3 4 11 13 6 3 1 1 1 0 2 3 6 6 6 3 1 1 2 1 4 4 2 2 1 0 1 2 2 3 3 1 2 1 0 1 1 2 2 2 2 1 2 0 0 1 1 2 2 1 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 1 0 0 1 0 !Region 7: Section 7->9 0 1 1 -1 0 0 -1 0 0 0 0 0 -1 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 -1 -1 1 2 2 1 0 0 0 -1 -2 0 1 2 2 1 0 -1 -1 0 0 1 1 2 0 0 0 -1 0 2 9 12 5 1 0 0 -1 1 1 4 6 5 2 0 0 -1 1 1 2 2 2 1 0 0 1 4 11 36 35 11 2 0 0 0 3 4 12 13 7 3 0 -1 0 2 2 2 2 3 2 0 0 1 8 22 56 58 18 3 0 0 0 2 7 18 21 8 2 0 0 0 1 2 2 2 2 2 1 0 0 3 12 25 31 14 2 0 -1 -1 -1 3 8 11 7 2 0 -1 -1 -1 0 1 1 2 1 0 0 1 2 4 6 7 4 1 0 0 0 1 2 3 5 3 0 0 1 0 0 1 1 2 1 0 1 1 1 2 2 3 2 2 0 1 1 -1 0 1 2 2 1 0 0 1 -1 0 1 1 1 1 1 0 0 0 -1 0 0 1 1 0 0 1 0 -1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 I/Sigma = 42.16 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 8 Sum = 11148.5; Maximum = 419.734; FM = 0.875 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 2 3 2 1 1 1 0 1 1 0 1 0 0 0 0 0 1 2 2 2 1 1 0 0 0 1 4 12 13 4 1 1 0 0 0 0 1 0 0 0 0 0 0 1 4 4 3 1 1 1 0 0 3 12 29 27 8 2 1 1 0 0 0 0 0 0 0 1 0 0 1 3 3 2 1 1 1 1 0 3 12 25 24 7 2 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 4 6 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: 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 1 1 0 0 0 1 1 1 1 2 1 1 0 0 1 1 1 2 2 1 1 0 0 1 0 1 3 5 3 1 0 0 1 1 5 8 5 2 1 0 0 1 1 5 12 15 5 1 0 0 1 1 3 16 30 10 2 1 0 1 5 31 42 17 4 2 0 0 1 4 30 61 49 14 3 1 0 0 2 15 56 78 25 3 1 0 2 18 74 83 27 5 1 0 0 1 13 67100 58 16 2 0 0 1 4 25 65 76 26 3 0 0 3 20 65 71 20 4 1 0 0 1 15 57 70 28 7 1 0 0 1 4 16 30 25 9 1 0 0 2 7 17 19 6 2 1 0 0 1 6 15 17 6 2 1 0 0 0 2 4 6 4 2 1 0 0 1 1 2 2 1 1 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 5 4 2 1 1 1 1 1 1 3 2 2 1 0 0 1 0 0 1 1 1 0 0 1 0 2 12 25 10 3 1 0 1 0 1 3 7 5 3 1 0 0 0 0 1 1 2 1 1 0 0 1 6 30 52 18 3 1 0 0 0 1 5 11 6 2 1 0 0 0 0 0 0 1 1 0 0 0 1 7 28 46 17 2 0 0 0 0 1 4 9 4 2 0 0 0 0 0 0 0 1 1 0 0 0 1 3 10 14 7 1 0 0 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 1 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 1 1 1 1 0 1 0 0 0 1 1 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 I/Sigma = 92.39 Thresh = 0.020 Blend = F #Contributing = 27 InitialProfileWt = 0.103 Region 9 Sum = 47412.3; Maximum = 3614.59; FM = 0.835 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 6 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 1 9 17 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 4 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 5 1 0 0 0 0 0 1 7 13 4 0 0 0 0 0 1 7 14 4 1 0 0 0 0 1 14 28 8 1 0 0 0 0 2 29 66 20 1 0 0 0 0 2 27 58 20 2 0 0 0 0 1 20 49 21 2 0 0 0 0 2 37100 48 5 0 0 0 0 2 31 83 41 4 0 0 0 0 1 7 22 15 2 0 0 0 0 1 11 42 31 5 0 0 0 0 1 8 33 25 4 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 5 5 1 0 0 0 0 0 1 4 4 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 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 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 3 5 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 8 16 7 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 20 12 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 6 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (202 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) 202 0 202 8.7000 0.9471 10.167 108.967 Orientation ('UB') matrix: 0.1438010 0.0359176 -0.0041022 0.0302539 -0.0026628 0.0771146 0.0660248 -0.0770079 -0.0045798 A B C Alpha Beta Gamma Vol 6.2492 11.7628 13.0140 90.000 96.639 90.000 950.22 0.0005 0.0008 0.0019 0.000 0.007 0.000 0.24 Corrected for goodness of fit: 0.0010 0.0015 0.0034 0.000 0.013 0.000 0.44 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.102 96.160 24.344 Goniometer zeros (deg): 0.0000* 0.0323 0.0000* 0.0361 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.9745 0.0739 0.0663 -0.1044 -0.1157 0.8263 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.08460e+03 1.92583e+03 1.82 2 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 190 Average input ESD (pix, pix, deg): 0.35224 0.28518 0.15968 Goodness of fit: 2.12542 1.70416 1.49854 Old XYZ spot size: 1.889 2.390 2.243 New XYZ spot size: 1.871 2.368 2.222 Average missing volume: 0.026 % with too much missing I: 1.587 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:26:41 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): 1.871 2.368 2.222 Spot size used (deg): 1.871 2.368 2.222 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 LS profile fitting will be used to worst resolution of 9999.000 A up to I/sigma(I) of 8.000 unweighted fit Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.262 0.274 0.324 Profile convolver halfwidth: 1.00 1.00 1.81 Background pixels updated = 95.06% 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 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 0.00 1.000 2_0003 2 0.03 -0.01 0.04 0.05 0.02 0.04 54411 45 0 0.88 21 1.56 2.21 4.27 1.000 3_0004 6 0.02 0.11 -0.00 0.16 0.19 0.11 43409 36 0 0.72 31 1.92 2.02 3.56 1.000 4_0005 8 0.11 0.04 0.05 0.50 0.24 0.14 26863 38 13 0.71 27 2.00 2.30 3.55 1.000 5_0006 8 0.03 -0.02 -0.01 0.16 0.12 0.09 67244 59 0 0.76 26 1.91 2.12 3.62 1.000 6_0007 12 -0.06 0.02 0.09 0.21 0.09 0.18 54230 47 0 0.86 32 1.94 2.21 3.64 1.000 7_0008 7 -0.06 0.01 0.07 0.15 0.17 0.10 35053 41 0 0.86 31 1.87 2.14 3.50 1.000 8_0009 8 1.00 0.30 -0.16 2.18 0.68 0.30 34884 32 13 0.82 28 1.91 2.17 3.56 1.000 9_0010 8 -0.23 0.12 0.10 0.53 0.30 0.15 22295 30 0 0.77 25 1.91 2.14 3.58 1.000 10_0011 6 0.00 0.05 0.00 0.13 0.13 0.07 76721 59 0 0.77 27 1.88 2.17 3.66 1.000 11_0012 12 0.07 -0.00 0.05 0.27 0.21 0.24 46172 33 0 0.77 27 1.90 2.14 3.66 1.000 12_0013 9 0.45 -0.07 -0.03 1.37 0.29 0.10 38494 52 0 0.77 30 1.87 2.10 3.59 1.000 13_0014 10 0.25 0.17 -0.00 0.61 0.59 0.09 39545 39 0 0.80 27 1.84 2.10 3.64 1.000 14_0015 8 0.04 0.04 0.04 0.25 0.19 0.12 44171 40 0 0.74 30 1.82 2.09 3.58 1.000 15_0016 9 -0.02 -0.06 0.01 0.16 0.14 0.07 63543 66 0 0.77 36 1.84 2.09 3.63 1.000 16_0017 5 -0.18 -0.04 0.09 0.35 0.26 0.19 27936 35 0 0.84 33 1.84 2.11 3.62 1.000 17_0018 13 -0.19 -0.08 0.06 0.54 0.24 0.29 29108 32 0 0.75 29 1.83 2.11 3.61 1.000 18_0019 4 0.46 -0.38 -0.06 1.00 0.82 0.15 21745 22 25 0.73 25 1.83 2.12 3.61 1.000 19_0020 7 0.55 -0.13 -0.01 1.30 0.30 0.08 37299 29 0 0.69 26 1.84 2.13 3.61 1.000 Background pixels updated = 95.31% 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 0.11 -0.01 -0.02 0.29 0.17 0.06 40291 39 0 0.84 28 1.80 2.12 3.62 1.000 21_0022 10 0.03 -0.02 -0.01 0.22 0.23 0.09 25235 28 0 0.77 29 1.79 2.13 3.61 1.000 22_0023 8 0.12 0.15 -0.04 0.61 0.43 0.09 40092 39 0 0.74 28 1.78 2.13 3.64 1.000 23_0024 8 -0.03 0.07 -0.10 0.18 0.17 0.15 48728 49 0 0.84 34 1.81 2.19 3.65 1.000 24_0025 7 0.15 -0.10 -0.09 0.31 0.30 0.10 47556 45 0 0.73 26 1.80 2.19 3.66 1.000 25_0026 10 0.04 0.02 -0.03 0.12 0.07 0.07 64095 59 0 0.75 25 1.79 2.19 3.70 1.000 26_0027 6 -0.22 0.13 0.03 0.44 0.20 0.11 36717 37 0 0.82 28 1.79 2.20 3.72 1.000 27_0028 13 0.09 -0.02 -0.05 0.19 0.25 0.10 27987 28 0 0.78 29 1.79 2.20 3.70 1.000 28_0029 6 0.20 -0.14 -0.06 0.44 0.40 0.08 40828 33 0 0.64 27 1.80 2.21 3.70 1.000 29_0030 8 0.08 -0.05 -0.08 0.21 0.33 0.12 20402 26 0 0.74 29 1.80 2.21 3.72 1.000 30_0031 4 0.56 0.26 -0.21 0.72 0.40 0.24 7474.0 13 0 0.66 30 1.81 2.22 3.72 1.000 31_0032 6 0.06 0.02 -0.23 0.25 0.07 0.41 44942 43 17 0.80 32 1.81 2.22 3.71 1.000 32_0033 9 0.36 -0.02 -0.06 0.97 0.33 0.09 27576 36 0 0.78 30 1.80 2.23 3.72 1.000 33_0034 10 0.03 -0.00 -0.08 0.09 0.21 0.10 127729 86 0 0.81 28 1.81 2.25 3.75 1.000 34_0035 16 0.22 -0.20 -0.10 0.61 0.74 0.18 43453 45 0 0.72 30 1.80 2.27 3.74 1.000 35_0036 7 -0.10 -0.13 -0.06 0.51 0.32 0.10 66298 53 0 0.80 24 1.81 2.28 3.75 1.000 36_0037 8 -0.06 -0.06 0.02 0.58 0.29 0.15 37998 38 0 0.78 26 1.80 2.28 3.75 1.000 37_0038 8 0.02 -0.05 -0.06 0.23 0.46 0.13 61722 61 0 0.78 30 1.79 2.28 3.75 1.000 38_0039 3 -0.02 0.06 -0.11 0.10 0.07 0.13 37785 36 0 0.90 27 1.79 2.28 3.75 1.000 39_0040 9 0.04 0.13 -0.08 0.18 0.26 0.11 25085 47 0 0.76 33 1.79 2.29 3.73 1.000 Background pixels updated = 95.24% 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 0.09 0.24 -0.09 0.67 0.44 0.12 30629 41 0 0.78 28 1.79 2.29 3.75 1.000 41_0042 15 0.07 0.02 -0.10 0.21 0.17 0.16 36974 38 7 0.78 29 1.78 2.31 3.75 1.000 42_0043 6 0.33 0.18 -0.13 0.55 0.28 0.15 71022 49 0 0.66 28 1.79 2.32 3.76 1.000 43_0044 5 0.14 0.24 -0.12 0.30 0.38 0.15 49608 46 0 0.83 28 1.78 2.32 3.76 1.000 44_0045 8 0.21 0.15 -0.10 0.48 0.20 0.11 17105 30 0 0.75 28 1.77 2.32 3.77 1.000 45_0046 6 -0.02 -0.01 -0.03 0.25 0.13 0.11 13155 17 0 0.73 27 1.77 2.32 3.77 1.000 46_0047 4 0.20 0.05 -0.10 0.47 0.09 0.12 17848 30 0 0.78 55 1.76 2.32 3.77 1.000 47_0048 16 0.11 0.01 -0.07 0.37 0.16 0.17 36168 39 0 0.74 26 1.76 2.33 3.77 1.000 48_0049 11 0.18 -0.11 -0.07 0.49 0.24 0.15 35343 45 18 0.74 32 1.76 2.34 3.77 1.000 49_0050 6 0.21 0.10 0.05 0.32 0.22 0.18 28819 29 0 0.79 26 1.75 2.35 3.77 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 (327 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) 327 0 327 12.9314 0.9470 6.836 108.993 Orientation ('UB') matrix: 0.1437778 0.0359314 -0.0041570 0.0302939 -0.0026295 0.0770840 0.0660405 -0.0770205 -0.0045709 A B C Alpha Beta Gamma Vol 6.2492 11.7605 13.0181 90.000 96.618 90.000 950.38 0.0004 0.0006 0.0010 0.000 0.004 0.000 0.16 Corrected for goodness of fit: 0.0009 0.0014 0.0023 0.000 0.009 0.000 0.37 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.124 96.146 24.351 Goniometer zeros (deg): 0.0000* 0.0318 0.0000* 0.0344 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.9733 0.0496 0.0641 -0.1162 -0.1234 0.8362 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.23789e+03 4.87179e+03 2.26 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 327 327 315 Average input ESD (pix, pix, deg): 0.31604 0.25927 0.12366 Goodness of fit: 2.36025 2.36358 1.97070 Background pixels updated = 95.48% 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 7 0.01 0.02 -0.03 0.11 0.09 0.04 67257 48 14 0.81 29 1.75 2.35 3.77 1.000 51_0052 8 0.01 -0.04 -0.07 0.06 0.11 0.10 66467 62 0 0.69 27 1.74 2.35 3.77 1.000 52_0053 8 -0.03 -0.10 -0.13 0.74 0.29 0.39 25109 28 0 0.72 31 1.75 2.35 3.77 1.000 53_0054 7 -0.18 -0.09 -0.02 0.44 0.15 0.09 41261 35 0 0.79 26 1.76 2.36 3.77 1.000 54_0055 12 0.18 -0.00 -0.06 0.40 0.32 0.13 38120 36 0 0.73 24 1.76 2.37 3.78 1.000 55_0056 11 0.24 -0.13 -0.09 0.81 0.49 0.11 28689 35 9 0.77 31 1.76 2.37 3.79 1.000 56_0057 8 0.34 -0.12 -0.08 0.66 0.56 0.13 33163 30 0 0.73 28 1.75 2.38 3.78 1.000 57_0058 3 0.10 -0.14 -0.11 0.14 0.15 0.11 57386 48 0 0.79 29 1.75 2.39 3.78 1.000 58_0059 10 0.13 -0.24 -0.12 0.35 0.41 0.22 117440 82 0 0.83 28 1.76 2.40 3.80 1.000 59_0060 5 -0.03 -0.14 0.02 0.14 0.14 0.05 8183.1 13 20 0.69 27 1.75 2.39 3.79 1.000 Background pixels updated = 95.34% 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 13 0.13 -0.23 -0.10 0.54 0.29 0.20 42490 30 15 0.69 26 1.75 2.40 3.80 1.000 61_0062 8 0.09 -0.05 -0.04 0.33 0.43 0.11 40282 38 0 0.85 27 1.75 2.41 3.79 1.000 62_0063 10 -0.10 -0.50 -0.21 0.80 0.98 0.49 49284 38 0 0.67 35 1.75 2.43 3.79 1.000 63_0064 4 -0.05 -0.13 -0.09 0.19 0.23 0.15 33071 43 0 0.79 37 1.75 2.42 3.79 1.000 64_0065 6 -0.24 -0.03 -0.03 0.44 0.21 0.10 78194 69 0 0.78 30 1.74 2.42 3.79 1.000 65_0066 11 0.29 -0.46 -0.04 1.53 1.41 0.22 27241 27 0 0.77 29 1.74 2.43 3.80 1.000 66_0067 12 0.01 -0.15 -0.06 0.11 0.19 0.10 72615 61 0 0.77 31 1.74 2.44 3.80 1.000 67_0068 5 0.17 -0.05 -0.10 0.23 0.34 0.13 89874 67 0 0.85 30 1.74 2.44 3.80 1.000 68_0069 9 0.41 -0.41 -0.08 0.77 0.81 0.10 41181 43 0 0.70 27 1.74 2.45 3.80 1.000 69_0070 9 0.17 -0.17 -0.06 0.46 0.23 0.08 90002 63 0 0.74 27 1.74 2.46 3.80 1.000 70_0071 6 0.18 -0.26 -0.08 0.23 0.36 0.11 29627 30 17 0.75 27 1.74 2.47 3.80 1.000 71_0072 6 0.21 -0.29 -0.04 0.41 0.35 0.10 85301 60 0 0.78 27 1.74 2.47 3.80 1.000 72_0073 14 -0.05 -0.06 0.01 0.27 0.37 0.14 50930 43 14 0.76 28 1.74 2.48 3.80 1.000 73_0074 8 0.27 0.06 0.00 0.77 0.45 0.17 44899 52 13 0.81 30 1.75 2.48 3.81 1.000 74_0075 11 -0.14 0.00 0.05 0.55 0.38 0.20 77804 67 0 0.81 28 1.76 2.49 3.82 1.000 75_0076 6 0.02 -0.16 -0.06 0.19 0.18 0.09 57169 60 0 0.76 32 1.76 2.49 3.83 1.000 76_0077 6 0.06 -0.17 -0.08 0.15 0.21 0.09 37069 35 0 0.75 31 1.77 2.49 3.83 1.000 77_0078 9 0.26 -0.39 -0.11 0.43 0.95 0.21 22123 21 11 0.63 27 1.76 2.49 3.83 1.000 78_0079 8 0.06 -0.14 0.00 0.33 0.26 0.05 44128 33 13 0.72 27 1.76 2.50 3.83 1.000 79_0080 6 0.11 -0.20 -0.06 0.12 0.21 0.08 53810 40 0 0.82 31 1.77 2.51 3.83 1.000 Background pixels updated = 95.45% 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 6 0.15 0.00 0.02 0.49 0.18 0.09 51372 47 17 0.63 26 1.77 2.51 3.84 1.000 81_0082 9 0.48 -0.36 -0.08 0.77 0.59 0.11 26148 24 0 0.68 27 1.77 2.52 3.83 1.000 82_0083 5 -0.21 -0.04 0.02 0.47 0.24 0.11 28723 25 20 0.53 27 1.77 2.52 3.83 1.000 83_0084 8 -0.01 -0.11 0.02 0.20 0.25 0.09 35077 42 0 0.82 26 1.77 2.52 3.84 1.000 84_0085 10 0.27 -0.21 -0.05 0.55 0.25 0.15 74205 61 0 0.79 27 1.77 2.52 3.84 1.000 85_0086 7 -0.01 -0.31 -0.05 0.77 0.48 0.20 28104 39 0 0.76 25 1.77 2.52 3.84 1.000 86_0087 8 0.05 -0.16 -0.01 0.14 0.19 0.04 53294 56 0 0.86 31 1.77 2.53 3.86 1.000 87_0088 16 0.11 -0.01 -0.02 0.23 0.39 0.13 21758 26 6 0.73 30 1.77 2.53 3.86 1.000 88_0089 5 0.05 -0.14 0.01 0.26 0.16 0.14 73198 56 0 0.82 27 1.77 2.53 3.86 1.000 89_0090 9 0.05 -0.37 -0.02 0.24 0.60 0.14 46499 46 11 0.76 30 1.77 2.53 3.86 1.000 90_0091 7 0.46 -0.10 -0.07 1.02 0.24 0.10 35703 37 0 0.81 30 1.77 2.53 3.86 1.000 91_0092 6 0.05 -0.09 0.01 0.29 0.27 0.10 12833 15 0 0.71 28 1.77 2.54 3.85 1.000 92_0093 2 0.16 -0.15 -0.02 0.16 0.15 0.08 57911 45 0 0.77 24 1.77 2.54 3.85 1.000 93_0094 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 1.77 2.54 3.85 1.000 94_0095 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 1.77 2.54 3.85 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_20_0095.sfrm I/Sigma = 55.40 Thresh = 0.020 Blend = F #Contributing = 231 InitialProfileWt = 0.000 Region 1 Sum = 18871.1; Maximum = 577.043; FM = 0.898 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 3 4 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 3 6 6 2 1 0 0 0 0 3 11 16 8 2 1 0 0 0 1 2 1 1 0 0 0 0 1 4 10 10 4 1 1 0 0 1 5 18 27 13 3 1 1 0 0 1 2 1 1 0 0 0 0 1 3 9 9 4 1 1 1 0 1 4 19 34 18 3 1 1 0 0 1 1 0 0 0 0 0 0 0 2 4 6 4 1 1 1 0 0 3 15 33 21 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 1 6 14 12 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 1 3 6 4 1 1 0 0 0 0 1 4 5 2 1 0 0 0 0 0 1 2 2 1 0 0 0 2 10 23 19 5 1 0 0 0 1 4 17 21 9 2 0 0 0 0 1 5 12 9 3 1 0 0 3 15 38 29 8 1 1 0 0 1 7 29 36 16 3 1 0 0 0 2 10 23 18 5 1 0 0 3 24 63 49 13 2 1 0 0 2 16 58 71 32 6 1 0 0 1 5 26 53 38 11 2 0 0 4 29 75 66 21 3 1 0 0 3 25 79100 50 9 2 0 0 1 9 40 80 61 16 3 1 0 2 13 36 40 15 2 1 0 0 2 12 39 62 36 8 1 0 0 1 4 19 50 47 15 3 0 0 1 2 8 13 6 2 1 0 0 0 2 9 20 15 5 1 0 0 0 1 5 15 20 10 2 0 0 0 1 2 4 2 1 1 0 0 0 1 3 6 5 2 1 0 0 0 0 2 5 8 5 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 2 1 1 0 !Region 1: Section 7->9 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 1 1 4 5 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 1 2 8 10 6 2 1 0 0 0 1 2 3 3 2 0 0 0 0 0 0 1 1 0 0 0 0 1 6 20 23 11 4 1 0 0 0 1 3 6 6 3 1 0 0 0 0 1 1 1 1 0 0 1 2 10 32 36 16 5 1 0 0 1 2 5 10 9 4 1 0 0 0 0 0 2 2 2 1 0 1 1 5 21 31 17 5 1 0 0 0 1 4 10 10 6 1 0 0 0 0 1 2 3 3 1 0 0 1 2 7 16 13 5 1 0 0 0 1 2 7 9 6 1 0 0 0 0 1 2 3 2 1 0 0 0 1 3 8 8 4 1 0 0 0 0 1 5 7 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 2 2 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 0 I/Sigma = 204.45 Thresh = 0.020 Blend = F #Contributing = 143 InitialProfileWt = 0.000 Region 2 Sum = 225272; Maximum = 18856.8; FM = 0.805 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 7 2 0 0 0 0 0 1 9 23 6 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 8 3 0 0 0 0 0 1 13 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 4 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 5 2 0 0 0 0 0 0 2 5 2 0 0 0 0 0 0 1 3 1 0 0 0 0 0 1 14 41 12 0 0 0 0 0 1 13 40 14 1 0 0 0 0 0 6 20 9 1 0 0 0 0 2 34 83 31 1 0 0 0 0 2 38100 48 1 0 0 0 0 1 20 62 38 1 0 0 0 0 1 11 29 10 0 0 0 0 0 1 13 44 17 1 0 0 0 0 0 9 36 17 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 4 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 27 18 1 0 0 0 0 0 3 8 5 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 4 18 10 1 0 0 0 0 0 2 6 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 106.79 Thresh = 0.020 Blend = F #Contributing = 129 InitialProfileWt = 0.000 Region 3 Sum = 65457.3; Maximum = 5054.92; FM = 0.845 !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 1 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 8 16 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 5 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 5 5 1 0 0 0 0 0 2 5 7 2 0 0 0 0 0 1 3 5 2 0 0 0 0 3 10 21 15 4 0 0 0 0 2 11 36 29 8 1 0 0 0 1 6 28 26 6 1 0 0 0 3 26 63 34 4 0 0 0 0 3 36100 60 8 0 0 0 0 2 22 67 48 7 0 0 0 0 2 15 35 12 1 0 0 0 1 4 20 46 20 2 0 0 0 1 4 14 29 16 3 0 0 0 0 1 3 3 1 0 0 0 0 0 2 4 6 2 0 0 0 0 1 2 4 6 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 10 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 16 16 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 9 6 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 2 1 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 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 I/Sigma = 54.60 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.005 Region 4 Sum = 19007.7; Maximum = 756.223; FM = 0.863 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 3 2 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 8 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 3 11 11 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 21 18 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 20 19 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 8 9 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 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 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 4: Section 4->6 0 0 2 7 7 2 0 0 0 0 0 2 8 8 2 1 0 0 0 0 1 3 3 1 0 0 0 0 1 4 19 24 7 1 1 0 0 1 3 18 27 9 1 0 0 0 0 1 6 12 6 2 0 0 0 1 6 30 35 10 2 1 0 0 1 5 29 39 15 3 1 0 0 0 1 9 17 14 4 1 0 0 1 11 64 64 15 2 1 0 0 1 10 63 73 23 4 1 0 0 1 3 19 31 19 5 1 0 0 1 9 66 78 19 3 1 0 0 1 8 68100 34 5 1 0 0 0 3 23 52 31 7 1 0 0 1 3 27 43 14 2 1 0 0 1 3 30 66 29 5 1 0 0 0 2 13 46 31 7 2 1 0 1 2 10 14 6 1 1 0 0 1 2 11 23 13 3 1 0 0 0 1 5 20 18 6 1 0 0 0 1 4 5 3 1 0 0 0 0 1 5 9 6 2 0 0 0 0 1 3 9 9 4 1 0 0 0 1 1 1 1 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 3 2 0 0 !Region 4: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 1 0 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 1 1 5 9 4 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 0 1 0 0 1 1 2 7 11 5 2 0 0 0 1 1 2 3 2 1 0 0 0 0 1 0 0 0 1 0 0 0 1 4 16 18 7 2 1 0 0 1 2 3 5 4 2 1 0 0 0 1 0 1 1 1 0 0 0 1 4 20 20 8 3 1 0 0 1 2 4 6 5 3 1 0 0 0 0 0 1 1 1 1 0 0 1 3 11 13 7 3 1 0 0 0 1 3 4 4 3 1 0 0 0 0 1 1 1 1 1 0 0 0 2 6 9 6 3 1 0 0 0 1 2 4 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 1 0 I/Sigma = 24.44 Thresh = 0.020 Blend = F #Contributing = 37 InitialProfileWt = 0.011 Region 5 Sum = 6336.23; Maximum = 244.663; FM = 0.859 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 0 0 0 1 0 0 1 3 3 1 1 1 1 0 0 1 4 6 4 2 1 1 0 0 0 0 0 -1 0 1 0 0 -1 0 3 4 0 1 1 0 0 -1 1 4 9 7 3 1 0 0 0 0 1 0 1 1 0 0 0 0 0 2 2 3 2 0 0 0 0 0 3 10 14 6 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 2 3 1 0 1 0 0 0 2 7 15 9 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 2 6 6 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -1 1 0 1 0 0 0 0 0 1 3 1 1 0 0 0 0 1 1 0 -1 0 0 0 0 -1 1 1 1 -1 0 0 0 0 -1 0 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 -1 0 0 0 0 0 0 1 0 0 0 0 0 !Region 5: Section 4->6 0 1 4 7 4 2 0 0 0 0 0 5 10 7 3 0 0 0 0 0 2 4 4 2 0 1 0 0 2 11 19 13 4 1 0 0 0 1 11 26 22 8 1 1 0 0 1 4 11 12 7 2 1 1 1 4 18 30 17 5 1 1 0 1 3 18 38 29 11 2 1 0 1 2 6 15 16 9 3 1 0 0 4 28 55 35 12 2 1 0 1 4 29 69 60 26 5 2 0 1 2 10 27 33 19 6 2 1 0 2 21 64 59 23 5 1 0 1 2 23 82100 49 11 2 0 1 1 7 32 56 40 13 3 0 0 0 5 28 41 23 5 1 0 0 0 5 36 70 50 15 1 0 0 1 2 15 41 43 19 3 0 0 0 1 8 14 10 3 1 0 0 0 1 10 23 21 8 2 0 0 0 1 4 12 19 12 4 1 0 0 0 2 5 5 2 1 1 1 0 0 3 8 10 4 2 1 0 1 1 1 4 7 5 3 1 0 0 0 1 1 1 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 2 2 1 0 !Region 5: Section 7->9 0 0 0 0 1 1 0 1 0 0 0 0 -1 0 0 0 1 0 0 0 0 -1 0 0 -1 0 0 0 1 1 1 2 5 3 2 0 0 0 0 -1 0 2 1 1 0 0 -1 -1 -1 0 0 0 0 0 0 1 1 1 3 4 4 2 1 -1 0 0 -1 1 2 2 1 1 -1 -1 -1 -1 0 0 0 0 0 1 1 1 2 5 7 5 4 2 0 0 0 -1 1 2 2 3 1 -1 -1 -1 -1 0 0 -1 1 1 0 1 0 2 9 17 10 4 1 0 0 -1 -1 0 4 4 3 1 0 0 -1 -1 -2 0 1 1 1 0 0 -1 2 8 18 13 5 1 0 0 -1 0 1 5 5 4 1 0 -1 0 0 -1 0 0 1 1 0 0 0 0 2 9 10 6 2 0 0 -1 -2 0 2 4 5 2 0 0 -1 -2 0 0 0 2 1 0 1 1 0 0 3 6 6 1 0 0 0 -1 1 1 3 5 1 0 0 -1 -1 1 0 0 1 1 -1 0 0 -1 -1 1 3 2 0 0 0 0 0 0 0 2 1 0 0 -1 0 0 0 0 0 0 0 I/Sigma = 21.26 Thresh = 0.020 Blend = F #Contributing = 25 InitialProfileWt = 0.035 Region 6 Sum = 4849.7; Maximum = 147.692; FM = 0.872 !Region 6: Section 1->3 0 -1 0 -1 0 0 1 1 0 1 1 0 0 0 0 1 1 0 1 3 4 3 2 1 1 1 0 0 0 0 0 -1 0 0 0 0 1 3 3 1 0 1 1 0 -1 2 7 10 9 4 2 0 0 0 1 1 0 -1 -1 -1 0 0 0 3 5 4 0 -1 -1 0 0 0 3 8 13 9 4 1 -1 1 0 0 0 -1 0 0 0 0 0 0 1 3 3 2 1 1 1 0 0 0 7 17 18 8 3 2 1 1 0 -1 -1 -1 -1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 7 16 23 14 5 1 1 0 0 -1 -1 -2 -1 -1 0 0 0 0 -1 0 -1 0 -1 0 1 0 1 3 7 12 11 4 2 2 1 0 0 -1 -1 -2 -1 1 0 0 -1 0 0 0 -1 0 1 -1 0 -1 1 2 4 4 3 1 0 0 0 0 -1 0 -2 -2 -1 -1 0 0 0 0 0 -2 -2 -1 -1 -1 -1 1 2 2 0 1 1 1 0 0 -1 -1 0 -1 -1 -1 0 0 0 0 -1 0 -1 -1 -1 0 0 0 0 1 1 0 0 0 1 0 !Region 6: Section 4->6 1 2 6 8 5 2 0 1 0 1 1 4 7 6 3 2 1 0 1 0 1 2 4 3 3 1 0 0 5 16 24 15 6 1 1 0 0 3 11 23 18 11 3 3 0 1 2 4 9 8 10 7 4 0 1 7 20 30 19 8 1 1 0 0 4 15 33 27 15 4 2 0 1 2 5 12 14 14 10 4 0 -1 8 33 61 41 17 4 2 1 0 6 28 66 61 34 11 3 1 1 3 10 25 36 34 18 5 0 0 11 41 83 71 32 7 3 1 0 8 38 94100 59 20 6 1 1 4 13 37 55 55 31 9 2 1 5 18 42 45 20 7 2 1 0 5 17 48 59 38 16 4 1 0 3 7 19 31 36 26 9 1 -1 1 4 12 15 9 3 1 0 0 2 5 12 18 15 7 2 0 0 2 3 4 10 15 12 7 2 0 1 1 3 4 4 1 2 0 0 1 1 3 7 6 3 3 0 0 0 1 2 5 6 8 7 1 0 0 1 1 1 1 0 1 0 0 0 0 1 2 1 1 2 0 0 0 0 0 1 1 2 2 0 !Region 6: Section 7->9 1 0 0 0 1 1 3 1 0 0 0 -1 -1 0 1 1 0 0 0 0 -1 -1 0 1 0 0 0 0 1 2 2 2 4 6 2 0 1 2 1 2 1 0 1 1 0 1 1 0 1 0 0 0 1 0 0 1 2 2 4 7 9 3 0 0 1 2 2 1 1 3 1 0 0 0 1 2 0 0 0 0 0 0 1 2 3 11 18 15 6 1 0 0 2 1 1 3 5 3 1 0 0 1 0 0 1 0 0 0 1 2 3 6 16 28 26 11 2 0 2 2 1 4 7 10 7 2 0 1 1 1 1 1 2 1 1 0 3 2 3 9 18 22 10 2 0 3 2 2 1 4 7 6 1 0 3 1 0 -1 1 0 1 0 0 2 2 0 2 6 12 11 4 0 2 2 1 -1 0 5 7 2 0 2 2 1 -1 -1 -1 1 0 0 0 1 1 1 3 8 10 3 0 0 1 1 -2 0 3 6 3 0 0 1 0 -2 0 0 1 1 0 0 0 0 0 0 2 3 1 0 1 1 0 0 1 1 1 1 0 1 0 0 -1 0 0 0 0 I/Sigma = 38.96 Thresh = 0.020 Blend = F #Contributing = 37 InitialProfileWt = 0.011 Region 7 Sum = 10674.2; Maximum = 243.112; FM = 0.888 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 4 4 1 1 0 0 1 2 1 0 0 0 0 0 0 2 5 5 2 2 1 1 1 0 1 4 9 15 11 4 2 1 0 1 3 2 1 1 1 0 0 0 4 9 7 4 3 2 1 0 0 3 10 15 22 13 5 3 1 0 1 3 1 1 1 0 0 0 0 4 9 5 5 4 1 1 1 1 3 10 19 29 17 5 2 2 1 1 1 1 1 1 0 0 0 0 2 5 3 3 3 1 1 1 1 2 9 22 34 24 8 3 2 1 0 1 0 0 1 0 0 0 0 1 3 2 2 2 1 1 0 0 1 6 14 22 18 6 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 0 0 0 1 2 4 6 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 !Region 7: Section 4->6 0 0 2 9 10 5 2 1 0 0 0 2 7 8 6 3 0 0 0 0 0 1 2 3 2 0 0 1 3 11 34 27 13 5 2 1 0 2 8 25 25 18 8 2 1 0 1 2 5 9 13 9 2 0 2 6 22 51 36 15 6 3 1 1 2 13 38 39 27 13 3 0 -1 -1 3 10 22 30 20 4 0 2 8 37 75 57 24 8 4 1 1 4 26 66 75 49 22 5 1 0 1 6 24 52 61 39 8 1 1 13 53 96 79 34 10 4 1 1 9 42 90100 65 28 7 1 0 2 12 35 62 71 50 12 1 1 9 33 62 57 23 6 2 1 0 7 27 56 64 38 16 5 1 0 2 8 19 34 37 29 10 2 1 3 7 15 20 10 3 1 1 1 3 7 15 23 17 7 2 1 0 1 3 6 13 15 14 6 1 0 1 2 4 6 4 3 2 0 0 1 2 4 8 7 4 2 0 0 0 1 1 5 7 5 2 0 0 0 1 1 1 1 1 1 0 0 0 1 1 2 2 1 1 0 0 0 1 0 1 2 1 0 0 !Region 7: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 2 6 6 2 0 0 0 0 2 1 2 2 2 0 0 0 0 1 1 1 1 0 0 -1 -1 1 2 9 19 17 6 1 0 0 0 2 3 6 6 6 2 0 0 0 1 1 1 1 3 1 0 0 1 7 24 41 35 10 2 0 0 0 2 6 12 13 8 3 0 0 0 1 0 1 2 4 2 0 0 2 9 25 44 45 14 3 0 0 1 3 7 12 17 10 4 0 0 1 1 2 1 2 5 3 0 0 1 3 12 22 28 14 3 0 -1 0 1 5 8 12 11 4 0 0 0 0 2 2 2 5 3 0 0 0 1 5 9 15 11 2 0 0 -1 1 3 3 7 9 3 0 0 0 1 1 1 2 3 2 0 0 0 0 2 4 6 4 1 0 0 0 1 1 1 4 4 1 0 0 0 1 1 1 2 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 41.13 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.002 Region 8 Sum = 12410.8; Maximum = 393.709; FM = 0.903 !Region 8: Section 1->3 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 0 1 0 0 0 0 2 3 2 2 1 1 1 0 0 2 4 6 4 2 1 0 0 0 1 2 1 0 0 0 0 0 0 4 8 5 2 1 1 0 0 0 4 11 14 7 3 1 0 0 0 2 4 2 1 0 0 0 0 1 7 14 7 2 1 1 0 0 1 7 20 20 10 3 1 1 0 1 2 2 1 1 0 0 0 0 1 6 10 5 2 1 0 0 0 1 6 18 21 15 5 1 1 0 0 1 1 1 1 1 0 1 0 1 2 4 3 2 1 1 1 0 0 3 9 13 11 3 1 1 0 0 1 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 0 1 2 3 4 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 3 5 2 1 0 0 0 0 1 3 7 3 1 0 0 0 0 0 1 3 2 1 0 0 0 1 3 13 15 5 1 0 0 0 1 2 13 23 9 2 1 0 0 1 1 5 12 8 3 1 0 0 2 11 30 28 10 2 1 0 0 1 7 30 43 20 4 1 1 0 1 2 12 28 23 7 2 1 0 4 21 51 49 19 4 1 0 0 2 15 59 82 42 10 2 0 1 1 5 27 56 47 16 3 1 0 5 29 66 67 25 4 1 1 0 3 27 78100 50 11 2 1 0 1 9 34 59 48 19 4 1 0 4 19 41 46 17 3 1 0 0 3 19 47 62 30 7 2 1 0 1 7 18 30 26 13 4 1 0 1 4 8 12 7 1 1 0 0 1 4 9 17 12 3 1 0 0 1 2 3 9 10 6 2 0 0 1 0 1 2 2 1 0 0 0 1 0 1 3 4 2 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 !Region 8: Section 7->9 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 6 5 2 1 0 1 1 1 1 4 4 3 1 0 0 0 0 0 1 2 1 0 0 1 1 3 10 17 9 4 1 0 1 1 1 4 8 8 5 1 0 0 1 1 1 2 3 2 1 1 1 1 6 21 30 17 5 1 0 1 1 2 5 10 11 6 2 0 1 1 1 1 2 4 4 2 0 1 1 6 17 29 21 7 1 0 1 1 3 5 10 12 8 2 0 1 0 1 1 2 3 4 2 0 0 1 3 6 15 16 8 2 0 1 1 1 2 7 10 8 2 0 1 1 1 1 2 3 4 2 0 0 1 1 3 6 8 4 1 0 1 1 1 1 3 5 4 1 0 1 1 1 0 1 1 2 1 0 0 0 1 2 2 2 1 1 0 0 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 134.49 Thresh = 0.020 Blend = F #Contributing = 113 InitialProfileWt = 0.000 Region 9 Sum = 84252.4; Maximum = 5318.92; FM = 0.845 !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 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 3 7 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 10 8 1 0 0 0 0 1 6 28 23 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 9 1 0 0 0 0 1 6 26 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 2 6 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 3 10 7 1 0 0 0 0 0 2 9 9 2 0 0 0 0 0 1 4 6 2 0 0 0 0 1 7 40 42 8 1 0 0 0 1 6 40 54 14 1 0 0 0 0 3 23 37 13 1 0 0 0 1 10 53 71 21 1 0 0 0 1 10 66100 40 3 0 0 0 0 5 40 70 35 4 0 0 0 0 3 15 23 9 1 0 0 0 0 3 20 38 18 2 0 0 0 0 1 12 28 17 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 7 13 8 2 0 0 0 0 0 2 5 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 10 25 18 4 1 0 0 0 0 2 7 8 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 3 11 11 4 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 4 Total topped/rescanned pixels: 27 Minimum pixel ceiling(frame): 163809(neal054_20_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_20_0001.sfrm) Total spots predicted: 926 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 137* Outside frame limits: 46* Spots exceeding frame queue size: 1* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 2* 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: 1* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 739 Total spot components written: 739 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 739 Twin overlaps written: 0 Average Intensity: 44794.59 Average I/sigma: 52.316 % over "strong" threshold: 82.95 % less than 2 sigma: 2.98 % which spanned more than 1 frame: 85.12 Average X,Y,Z positional errors: 0.11 -0.07 -0.04 RMS X,Y,Z positional errors: 0.57 0.41 0.16 % X,Y,Z more than 0.5 pixel: 12.04 8.53 1.49 % X,Y,Z more than 1.0 pixel: 6.50 3.11 0.14 Avg % profile volume populated: 98.23 Avg % profile volume integrated: 18.43 Avg % profile missing I: 1.55 Avg % profile missing volume: 1.77 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: 5.13 8.53 4.13 Average spot-shape correlation: 0.742 RMS spot-shape correlation: 0.764 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.181 0.147 13 1.0 2.0 0.362 0.145 9 2.0 4.0 0.528 0.180 24 4.0 8.0 0.628 0.129 37 8.0 16.0 0.747 0.139 134 16.0 32.0 0.770 0.132 206 32.0 64.0 0.797 0.130 179 64.0 128.0 0.829 0.130 100 128.0 256.0 0.884 0.079 37 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): 294.328 Elapsed since INTEGRATE command (sec): 292.852 Integration time, this run (sec): 5.999 Time in unit-cell LS (sec): 0.033 Per-frame integration time (sec): 0.063 Integration completed normally ======================== 10/26/2021 10:26:47 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.0020945 will be applied to LS-fit intensities Number of spots read: 739 Number of LS-fit intensities scaled: 96 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 739 Sorting Reflection File ============================== 10/26/2021 10:26:47 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_20.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... 739 spot components in 739 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 739 spot components in 739 spots written to file /smb/isengard/data/neal054/work/neal054_20.raw Computing Reflection File Statistics ========== 10/26/2021 10:26:48 Integration of neal054 ................................................................................... Statistics for reflections in neal054_20.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 739 Number of reflection records read = 739 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 739 Number of spot components used = 739 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_20.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 6.249 11.761 13.018 90.000 96.617 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 0 16 0 18.8 6615.336 9.89 10.61 0.000 0.000 0.0 0.000 0.000 0.00 1.8-.35-.03 2.5 .64 .18 32.000 32 0 31 2 9.4 9433.815 12.93 10.69 0.011 0.000 0.2 0.000 0.000 0.00 .46-.07-.05 1.4 1.0 .22 64.000 38 0 38 0 10.5 12068.701 15.65 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .40-.16-.04 .84 .65 .21 96.000 57 0 57 0 3.5 14381.448 19.20 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .13-.05-.04 .61 .51 .27 128.000 72 0 72 0 0.0 19769.768 23.02 11.01 0.000 0.000 0.0 0.000 0.000 0.00 .08-.07-.04 .33 .29 .11 160.000 100 3 97 6 2.0 23578.140 27.09 11.18 0.076 0.000 1.5 0.000 0.162 0.00 .07-.08-.06 .23 .40 .16 192.000 114 9 105 18 1.8 34815.580 36.97 11.48 0.091 0.000 3.8 0.000 0.190 0.00 .05-.07-.03 .12 .28 .12 224.000 115 15 104 26 2.6 53323.681 56.02 11.88 0.092 -0.001 5.3 0.000 0.210 0.00 .10-.04-.05 .12 .19 .11 256.000 95 18 84 29 3.2 70125.933 77.69 12.59 0.114 -0.004 8.2 0.000 0.249 0.00-.09-.04-.05 .13 .19 .12 288.000 51 13 43 21 0.0 99514.894 116.68 13.12 0.104 0.013 10.8 0.000 0.215 0.00-.03-.02-.02 .07 .10 .12 320.000 27 7 25 9 0.0 118129.98 171.71 13.16 0.080 0.014 15.9 0.166 0.148 1.15-.08-.13-.09 .43 .59 .31 352.000 6 2 6 3 0.0 56501.433 182.15 13.31 0.258 -0.037 25.8 0.434 0.140 0.28 .03-.01-.02 .06 .03 .12 384.000 1 0 1 0 0.0 88751.797 249.79 12.05 0.000 0.000 0.0 0.000 0.000 0.00 .02 .01 .10 .02 .01 .10 416.000 2 1 2 1 0.0 13281.350 75.70 11.94 0.045 -0.034 4.0 0.000 0.090 0.00-.07-.02 .10 .09 .03 .14 448.000 8 4 8 5 0.0 173436.36 227.35 11.25 0.081 -0.036 18.9 0.378 0.112 0.35-.18 .02 .07 .26 .12 .09 480.000 5 3 5 3 0.0 153306.54 167.44 11.09 0.121 -0.025 19.6 0.200 0.174 0.85-.90-.11 .07 1.1 .35 .10 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 27 0 26 2 0.0 19964.185 26.22 10.73 0.011 0.000 0.2 0.000 0.000 0.00 .28 .35-.09 .64 .76 .17 32.000 37 0 37 0 2.7 32543.551 45.08 10.93 0.000 0.000 0.0 0.000 0.000 0.00 .21 .14-.11 .46 .41 .17 64.000 67 0 67 0 1.5 41657.812 51.05 11.15 0.000 0.000 0.0 0.000 0.000 0.00 .07-.05-.06 .49 .28 .16 96.000 87 3 87 3 3.4 45165.480 52.93 11.63 0.164 -0.010 32.3 0.409 0.081 0.35 .05-.08-.02 .41 .19 .16 128.000 111 10 103 19 1.8 50794.077 54.54 12.01 0.117 0.002 9.8 0.136 0.222 2.83 .14-.06-.05 .72 .14 .17 160.000 122 18 105 36 3.3 63737.371 65.29 12.32 0.082 0.002 8.0 0.107 0.167 2.83 .07-.04-.01 .30 .10 .12 192.000 104 19 90 33 4.8 46546.068 53.98 12.01 0.117 0.009 8.6 0.225 0.209 0.35-.02-.02-.02 .34 .17 .13 224.000 76 16 74 18 1.3 40285.632 48.39 11.46 0.080 0.007 6.6 0.000 0.164 0.28 .15-.07-.05 .62 .24 .13 256.000 47 11 46 12 2.1 29633.316 40.67 11.16 0.108 -0.039 7.1 0.000 0.215 0.00 .05-.07-.05 .46 .34 .13 288.000 47 0 47 0 4.3 36354.066 47.64 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .18-.22-.04 .74 .62 .15 320.000 14 0 14 0 14.3 15855.283 19.94 10.93 0.000 0.000 0.0 0.000 0.000 0.00 .77-1.6-.30 1.7 2.0 .48 352.000 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_20.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25 6 20 11 0.0 39736.468 49.32 11.57 0.097 -0.006 5.1 0.000 0.215 0.00-.03 .02-.06 .11 .12 .09 30.000 69 17 63 23 1.4 56202.257 64.24 12.01 0.080 0.017 6.1 0.000 0.186 0.00 .00-.01-.06 .10 .14 .12 60.000 118 28 107 39 4.2 59226.648 62.34 12.22 0.120 -0.011 9.1 0.000 0.249 0.00 .01-.06-.02 .14 .27 .11 90.000 129 22 119 32 2.3 58101.338 61.38 12.26 0.095 0.008 7.4 0.166 0.179 1.15 .04-.12-.04 .28 .42 .18 120.000 109 4 109 5 0.9 40462.230 45.48 11.68 0.093 0.005 7.1 0.000 0.151 0.00 .05-.10-.05 .28 .24 .15 150.000 91 2 91 2 3.3 36224.063 45.13 11.36 0.093 0.003 38.6 0.434 0.122 0.28 .08-.11-.03 .42 .37 .14 180.000 80 3 80 3 1.2 36661.045 47.53 11.01 0.067 -0.009 11.7 0.000 0.129 0.28 .14-.10-.05 .51 .41 .24 210.000 63 0 63 1 4.8 20704.837 29.54 10.83 0.221 -0.006 21.0 0.000 0.000 0.00 .38-.14-.06 1.0 .74 .16 240.000 38 5 38 5 10.5 33160.170 45.99 10.77 0.111 -0.029 20.2 0.240 0.139 0.71 .33-.00-.04 1.5 .50 .20 270.000 17 0 16 2 5.9 32015.563 36.64 10.63 0.011 0.000 0.2 0.000 0.000 0.00 .70 .50-.04 1.2 .86 .16 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 81 5 80 6 6.2 19021.907 24.54 10.95 0.121 -0.005 2.7 0.000 0.239 0.00 .35-.38-.06 .91 .93 .17 2.000 27 6 27 6 0.0 66022.461 96.60 11.26 0.105 -0.027 11.5 0.000 0.209 0.00-.26-.18-.12 .55 .64 .32 3.000 463 26 444 46 3.0 30297.500 34.30 11.30 0.088 0.000 4.3 0.000 0.201 0.00 .15-.02-.04 .58 .29 .16 4.000 168 34 138 65 1.8 93764.720 110.45 12.96 0.102 0.003 11.9 0.240 0.195 0.71-.06-.02-.02 .17 .13 .11 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 226 41 191 76 2.7 56079.337 61.87 12.05 0.104 -0.001 7.3 0.000 0.216 0.00 .00-.03-.04 .13 .22 .11 2.000 12 5 11 6 0.0 143420.71 209.09 11.69 0.092 -0.023 17.0 0.200 0.155 0.71-.40-.10 .05 .69 .22 .13 3.000 1 0 1 0 0.0 620.832 5.08 10.89 0.000 0.000 0.0 0.000 0.000 0.00-2.2-3.0-1.5 2.2 3.0 1.5 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 10 0 10 0 10.0 11734.651 15.61 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .69-1.1-.17 .97 1.5 .24 6.000 85 1 85 1 7.1 13000.917 17.03 10.82 0.309 -0.000 1.0 0.000 0.617 0.00 .39-.26-.03 1.1 .72 .17 7.000 206 4 203 8 3.4 20061.935 23.90 11.03 0.078 -0.001 2.8 0.000 0.188 0.00 .18 .01-.04 .74 .34 .20 8.000 167 8 161 14 1.2 55996.260 61.68 11.92 0.136 0.002 9.3 0.000 0.284 0.00 .05-.04-.06 .13 .24 .12 9.000 32 10 25 18 0.0 125044.95 176.64 13.61 0.073 0.010 13.7 0.266 0.112 0.71-.02-.01 .02 .13 .09 .08 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.110 36 1 36 2 2.8 49247.396 55.49 11.60 0.045 0.003 10.3 0.000 0.022 0.00 .01 .03 .04 .28 .16 .14 6.614 35 1 35 2 2.9 36642.849 45.95 11.72 0.119 0.008 8.9 0.215 0.136 0.45 .19 .12-.00 1.1 .39 .18 11.118 43 1 43 1 0.0 50461.533 56.60 11.56 0.070 0.002 9.4 0.000 0.106 0.28 .15 .01 .02 .71 .33 .15 15.622 38 0 38 1 2.6 31946.554 40.22 11.57 0.011 0.000 0.3 0.000 0.000 0.00 .10-.10 .02 .75 .35 .19 20.126 37 2 37 2 0.0 37352.002 46.61 11.61 0.081 0.016 9.6 0.000 0.162 0.00 .07 .02-.06 .35 .28 .11 24.630 39 2 39 2 0.0 40033.463 45.81 11.73 0.102 0.011 10.6 0.107 0.296 2.83 .05-.02-.04 .28 .27 .10 29.134 38 3 38 3 2.6 53547.104 65.45 11.57 0.113 0.018 10.6 0.000 0.226 0.00 .27-.04-.13 .66 .51 .22 33.638 34 6 34 6 0.0 55116.527 62.06 11.74 0.092 -0.010 16.6 0.378 0.158 0.45-.06-.06-.05 .41 .35 .13 38.142 40 5 40 5 2.5 37291.304 44.85 11.62 0.057 0.004 4.5 0.000 0.114 0.00 .12 .14-.10 .43 .31 .14 42.646 30 3 30 3 0.0 26909.883 38.10 11.64 0.172 -0.040 10.7 0.000 0.344 0.00 .15 .07-.09 .42 .15 .12 47.150 43 8 43 8 7.0 43928.480 58.41 11.84 0.093 0.022 13.7 0.434 0.148 0.28 .10-.02-.06 .34 .18 .21 51.654 42 7 42 7 2.4 35612.981 40.18 11.63 0.103 0.011 5.0 0.000 0.206 0.00 .12-.09-.06 .63 .41 .14 56.158 35 6 35 6 8.6 56906.095 64.86 11.55 0.084 0.009 10.2 0.000 0.168 0.00 .03-.30-.12 .54 .60 .31 60.662 33 6 33 6 0.0 47251.827 51.60 11.55 0.109 -0.011 7.1 0.136 0.207 2.83 .13-.20-.06 .92 .85 .15 65.166 39 7 39 7 0.0 68711.269 67.44 11.55 0.150 0.005 14.1 0.000 0.301 0.00 .12-.21-.05 .48 .45 .12 69.670 41 12 41 12 9.8 56410.646 60.33 11.79 0.082 -0.019 6.6 0.000 0.161 0.45 .09-.11-.02 .42 .35 .13 74.174 32 10 32 10 6.2 42309.191 50.70 11.63 0.054 -0.015 4.9 0.000 0.109 0.00 .05-.18-.03 .44 .58 .17 78.678 31 8 31 8 6.5 38752.711 41.95 11.56 0.110 0.007 7.3 0.000 0.205 2.83 .17-.18-.03 .51 .37 .09 83.182 44 18 44 19 2.3 40968.517 50.82 11.78 0.104 0.011 7.7 0.232 0.177 0.28 .10-.12-.02 .44 .34 .14 87.686 29 13 29 13 3.4 42318.400 47.95 11.38 0.178 -0.073 7.8 0.000 0.356 0.00 .15-.20-.02 .55 .38 .12 92.190 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 10 0 10 0 0.0 40163.081 41.51 11.69 0.000 0.000 0.0 0.000 0.000 0.00 .06 .03-.01 .18 .19 .09 50.000 86 2 86 4 2.3 44539.545 52.33 11.65 0.067 0.004 9.6 0.215 0.054 0.45 .15 .06 .02 .87 .34 .17 60.000 85 2 85 3 1.2 37726.097 47.26 11.52 0.074 0.007 7.9 0.000 0.153 0.28 .07-.04-.00 .56 .31 .15 70.000 85 6 85 6 1.2 46806.942 54.88 11.69 0.105 0.014 9.7 0.107 0.242 2.83 .15-.03-.08 .48 .39 .16 80.000 80 12 80 12 1.2 45237.157 53.40 11.70 0.100 -0.014 12.3 0.378 0.183 0.45 .04 .05-.08 .40 .32 .13 90.000 83 11 83 11 3.6 35985.175 47.12 11.67 0.097 0.014 11.5 0.434 0.158 0.28 .09-.00-.06 .44 .21 .18 100.000 80 15 80 15 5.0 48048.593 53.04 11.64 0.082 0.013 6.4 0.000 0.164 0.00 .10-.20-.09 .54 .50 .22 110.000 87 19 87 19 4.6 58284.391 61.87 11.59 0.113 -0.006 9.1 0.136 0.223 2.83 .13-.19-.04 .69 .63 .14 120.000 77 24 77 24 5.2 42634.169 48.09 11.67 0.084 -0.012 6.7 0.000 0.163 1.15 .12-.17-.03 .47 .45 .14 130.000 66 28 66 29 3.0 43682.636 51.70 11.61 0.129 -0.024 8.1 0.232 0.237 0.28 .11-.16-.02 .46 .37 .12 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 15.920 143 3 142 6 2.1 42471.631 50.19 11.59 0.064 0.003 8.0 0.215 0.066 0.35 .11 .01 .02 .77 .33 .17 15.970 154 13 154 13 0.6 46133.134 54.82 11.68 0.096 0.008 13.2 0.217 0.188 1.15 .09-.03-.06 .44 .36 .14 16.020 177 26 176 27 3.4 40617.096 50.07 11.69 0.101 0.005 9.3 0.434 0.188 0.28 .11-.00-.08 .45 .29 .16 16.070 123 25 123 25 4.9 54759.526 58.05 11.58 0.101 -0.004 8.3 0.136 0.200 2.83 .10-.21-.06 .66 .62 .20 16.120 142 46 137 52 4.2 42260.585 48.94 11.63 0.103 -0.014 7.3 0.232 0.195 0.71 .11-.16-.03 .47 .41 .13 16.170 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.220 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.270 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.320 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.370 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.420 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 16.470 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.520 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.570 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.620 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.670 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.720 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.770 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.820 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.870 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.920 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 21.000 739 58 676 123 3.0 44795.124 52.31 11.64 0.099 0.000 8.6 0.240 0.195 0.71 .11-.07-.04 .57 .41 .16 22.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 7 0 7 0 85.7 -27.063 -0.10 10.85 0.000 0.000 0.0 0.000 0.000 0.00 .16-.04-.01 .96 1.2 .30 0.100 8 1 8 1 75.0 216.359 0.75 11.64 8.162 -0.184 2.5 0.00016.324 0.00 .87 .17-.12 2.1 .42 .26 0.200 6 0 6 0 83.3 596.250 1.61 11.19 0.000 0.000 0.0 0.000 0.000 0.00 .87-.39-.10 1.4 .65 .12 0.300 4 1 4 1 50.0 2646.268 6.44 11.40 1.246 -0.025 1.7 0.000 2.492 0.00 .23 .09-.01 .42 .30 .16 0.400 38 1 37 2 5.3 11845.456 19.43 11.13 0.236 0.000 0.9 0.000 0.617 0.00 .28-.04-.08 .58 .22 .12 0.500 87 8 86 9 0.0 34748.711 38.91 11.55 0.057 -0.001 5.1 0.000 0.169 0.00 .08-.04-.03 .36 .24 .11 0.600 106 19 103 23 0.9 37485.972 42.54 11.61 0.120 -0.010 7.6 0.136 0.219 2.83 .09-.08-.04 .49 .45 .14 0.700 129 22 129 22 0.0 41968.056 48.06 11.69 0.089 0.021 7.7 0.215 0.169 1.15 .13-.16-.06 .71 .61 .20 0.800 241 37 233 46 0.0 45573.356 50.27 11.55 0.105 -0.005 9.0 0.224 0.208 0.71 .08-.06-.03 .45 .33 .17 0.900 113 17 112 19 0.0 81805.807 93.10 12.11 0.097 -0.002 13.1 0.434 0.177 0.35 .02-.02-.04 .40 .15 .13 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 720 58 660 120 2.6 45464.745 52.96 11.66 0.098 -0.000 8.5 0.266 0.195 0.71 .07-.04-.04 .39 .29 .15 0.050 2 0 2 0100.0 -76.025 -0.16 10.85 0.000 0.000 0.0 0.000 0.000 0.00 1.9-2.2-.32 2.1 2.3 .38 0.100 5 0 5 0 20.0 10147.211 16.70 10.74 0.000 0.000 0.0 0.000 0.000 0.00 2.7-.24-.19 3.5 .76 .21 0.150 1 0 1 0 0.0 38916.301 36.59 11.06 0.000 0.000 0.0 0.000 0.000 0.00 .16-.58-.17 .16 .58 .17 0.200 4 2 4 2 0.0 35525.426 46.78 11.01 0.240 0.025 20.7 0.200 0.241 0.85-.01-.97-.03 1.3 1.4 .20 0.250 1 0 1 0 0.0 12828.100 11.04 10.83 0.000 0.000 0.0 0.000 0.000 0.00 1.9-2.4-.21 1.9 2.4 .21 0.300 1 0 1 0 0.0 3168.000 3.72 10.85 0.000 0.000 0.0 0.000 0.000 0.00 4.9-4.6-.51 4.9 4.6 .51 0.350 2 0 2 0 0.0 18785.199 21.82 10.73 0.000 0.000 0.0 0.000 0.000 0.00 .49-.16-.06 2.2 .58 .08 0.400 2 0 2 0 0.0 27802.566 41.11 10.96 0.000 0.000 0.0 0.000 0.000 0.00-1.2-1.9-.87 1.6 2.2 1.1 0.450 1 0 1 1 0.0 28206.199 17.54 10.58 0.011 -0.011 0.2 0.000 0.000 0.00 2.0 1.9-.24 2.0 1.9 .24 0.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.550 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 40 5 40 5 12.5 19531.937 28.40 11.34 0.053 0.011 4.2 0.000 0.106 0.00 .38-.09-.09 1.1 .59 .20 0.050 31 3 30 4 6.5 51048.356 63.44 11.55 0.016 -0.002 1.5 0.000 0.029 0.00 .16-.15-.06 .52 .49 .15 0.100 40 5 40 5 0.0 24789.312 32.53 11.48 0.272 -0.050 18.3 0.248 0.397 1.15 .15-.05-.02 .41 .33 .15 0.150 41 5 41 5 4.9 57231.982 61.92 11.82 0.089 0.000 9.0 0.000 0.179 0.00 .20-.17-.04 .44 .55 .13 0.200 40 9 40 9 5.0 38444.277 42.56 11.71 0.121 0.006 5.3 0.000 0.209 2.83 .15-.09-.04 .73 .25 .10 0.250 40 9 40 9 2.5 64113.522 68.84 12.04 0.070 0.025 8.0 0.000 0.135 0.35 .18-.07-.02 .60 .21 .10 0.300 32 7 32 7 0.0 54893.965 56.99 11.88 0.079 0.009 4.3 0.107 0.192 2.83 .04-.04-.04 .17 .22 .09 0.350 30 2 30 2 0.0 39890.591 46.21 11.67 0.062 0.005 4.2 0.000 0.125 0.00 .10 .01-.06 .29 .26 .12 0.400 34 7 34 7 0.0 51862.785 52.32 11.83 0.170 -0.038 13.3 0.000 0.341 0.00 .14-.15-.04 .38 .33 .09 0.450 46 10 46 10 2.2 56271.498 63.22 11.80 0.101 0.006 10.1 0.000 0.202 0.00 .14-.05-.03 .48 .23 .17 0.500 36 4 36 4 0.0 75036.325 81.24 11.58 0.069 -0.018 11.1 0.000 0.137 0.00-.04-.04-.05 .31 .16 .20 0.550 32 5 32 6 3.1 39199.570 41.18 11.59 0.178 0.019 16.0 0.434 0.282 0.28 .23 .05-.06 .67 .49 .22 0.600 29 7 28 8 3.4 48166.608 52.31 11.79 0.095 0.013 4.9 0.000 0.195 0.00 .12-.11-.00 .57 .46 .12 0.650 37 8 36 10 0.0 67229.103 67.31 12.13 0.111 -0.017 8.7 0.000 0.216 0.00-.04-.07-.02 .19 .21 .13 0.700 36 5 36 6 0.0 52387.791 57.52 11.93 0.176 0.015 9.8 0.232 0.286 0.28-.12-.05-.03 .29 .15 .13 0.750 35 5 35 5 2.9 44362.957 53.09 11.65 0.090 0.044 10.0 0.000 0.180 0.00 .08-.02-.03 .45 .23 .11 0.800 45 6 45 6 0.0 42324.598 49.20 11.31 0.084 0.004 11.5 0.215 0.153 0.45 .11-.03-.04 .49 .33 .13 0.850 33 4 33 4 0.0 17553.251 26.59 11.24 0.077 -0.015 2.8 0.000 0.155 0.00-.01 .11-.08 .39 .38 .20 0.900 40 6 40 6 10.0 33649.773 44.63 11.42 0.056 -0.012 4.4 0.000 0.111 0.00 .03-.01-.01 .41 .36 .18 0.950 42 4 42 5 4.8 21089.394 32.56 11.10 0.166 -0.029 11.9 0.000 0.309 0.00 .09-.29-.07 1.0 .92 .29 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.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 .00 895.121 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1790.242 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3580.484 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7160.969 58 9 53 14 12.1 12317.579 22.36 12.13 0.231 -0.016 5.5 0.000 0.410 0.00 .05-.04-.02 .13 .12 .14 14321.938 306 34 284 56 0.7 34933.145 38.60 11.73 0.110 -0.001 5.0 0.000 0.239 0.00 .02-.05-.04 .16 .15 .14 28643.875 229 19 222 27 0.9 47012.493 53.40 11.53 0.107 -0.001 11.2 0.166 0.236 1.15 .06-.03-.04 .38 .33 .17 57287.750 118 10 115 15 9.3 51339.500 61.83 11.30 0.095 0.007 14.9 0.290 0.186 0.71 .45-.15-.06 1.1 .68 .14 114575.500 19 5 16 9 0.0 139300.69 160.50 11.88 0.076 -0.005 14.4 0.276 0.128 0.35 .18-.20-.07 1.3 1.2 .18 229151.000 9 1 8 2 0.0 247666.60 284.06 11.94 0.063 0.000 22.1 0.000 0.118 0.00-.34-.31-.12 .76 1.0 .52 458302.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.618 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.237 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.855 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.473 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.091 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.710 383 12 378 18 3.7 24477.198 30.74 10.93 0.107 -0.005 7.5 0.240 0.164 0.71 .19-.09-.06 .78 .55 .20 11.328 261 33 237 58 2.3 47849.645 54.08 11.85 0.097 0.002 6.5 0.000 0.200 0.28 .04-.04-.04 .12 .12 .11 12.946 85 23 69 40 2.4 106504.79 105.16 13.71 0.113 -0.005 11.2 0.434 0.225 0.35-.04-.04-.01 .11 .14 .09 14.565 10 5 8 7 0.0 218716.50 201.52 15.53 0.064 0.035 14.0 0.166 0.124 1.15 .00-.03 .04 .02 .05 .05 16.183 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 0 4 0 0.0 6588.832 16.44 10.79 0.000 0.000 0.0 0.000 0.000 0.00-1.8-.79-.21 1.8 1.7 .81 -1.380 1 1 1 1 0.0 79936.703 96.83 11.06 0.202 0.202 19.6 0.232 0.091 0.28-1.3-.20 .20 1.3 .20 .20 -1.260 5 0 5 0 0.0 8362.060 12.88 10.68 0.000 0.000 0.0 0.000 0.000 0.00-1.2-.31 .27 1.2 .48 .30 -1.140 3 1 3 1 0.0 18399.400 27.64 10.84 0.318 -0.228 21.7 0.136 0.545 2.83-1.1 .25 .14 1.1 .29 .15 -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 33.3 3983.885 7.94 10.72 0.000 0.000 0.0 0.000 0.000 0.00-.81 .24 .19 .81 .48 .20 -0.780 5 1 5 2 0.0 12551.960 18.03 11.45 0.096 -0.041 4.7 0.000 1.212 0.00-.73-.25 .16 .73 .55 .18 -0.660 3 0 3 0 33.3 5175.745 9.26 10.70 0.000 0.000 0.0 0.000 0.000 0.00-.62-.29 .10 .62 .33 .12 -0.540 10 0 10 1 10.0 25741.101 44.01 10.96 0.221 -0.029 21.0 0.000 0.000 0.00-.48 .11 .12 .48 .33 .13 -0.420 12 1 12 1 8.3 28496.944 36.80 10.96 0.309 -0.001 1.0 0.000 0.617 0.00-.35 .05 .08 .35 .39 .20 -0.300 32 5 32 5 6.2 51787.997 61.33 11.06 0.081 -0.044 13.4 0.000 0.163 0.00-.24-.09 .02 .24 .32 .11 -0.180 111 19 106 24 1.8 58882.324 68.36 12.05 0.114 0.001 11.0 0.378 0.233 0.45-.11-.00-.02 .12 .15 .15 -0.060 226 39 211 55 0.4 62291.732 67.75 12.18 0.099 0.007 9.3 0.241 0.189 0.71 .01-.03-.02 .04 .13 .10 0.060 174 22 166 30 2.3 43699.390 46.48 11.58 0.082 -0.003 4.5 0.000 0.191 0.00 .11-.09-.05 .12 .20 .13 0.180 55 2 55 2 1.8 23593.436 31.72 11.19 0.142 -0.002 2.4 0.000 0.283 0.00 .23-.06-.13 .23 .28 .19 0.300 21 0 21 0 4.8 15699.191 20.50 10.91 0.000 0.000 0.0 0.000 0.000 0.00 .35-.15-.08 .35 .38 .13 0.420 16 0 16 0 0.0 15880.068 20.45 10.86 0.000 0.000 0.0 0.000 0.000 0.00 .48-.06-.15 .48 .55 .20 0.540 6 0 6 0 0.0 8659.600 13.07 10.72 0.000 0.000 0.0 0.000 0.000 0.00 .60-.18-.18 .60 .31 .46 0.660 8 0 8 0 12.5 7993.611 12.19 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .71 .16-.17 .71 .58 .18 0.780 4 0 4 0 25.0 6612.593 10.99 10.70 0.000 0.000 0.0 0.000 0.000 0.00 .85 .44-.13 .85 .60 .16 0.900 5 0 5 0 0.0 12151.640 15.84 10.69 0.000 0.000 0.0 0.000 0.000 0.00 .95-.12-.10 .95 .72 .15 1.020 5 0 5 0 0.0 10955.760 14.30 10.78 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.20-.15 1.1 .58 .22 1.140 7 0 7 0 14.3 4924.019 9.12 10.74 0.000 0.000 0.0 0.000 0.000 0.00 1.2-.29-.28 1.2 1.2 .31 1.260 4 0 4 0 0.0 2903.025 5.91 10.67 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.24-.15 1.3 .44 .17 1.380 19 0 19 1 21.1 7922.451 10.12 10.68 0.011 -0.002 0.2 0.000 0.000 0.00 2.5-.60-.21 2.8 1.7 .24 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 9 0 9 0 22.2 5134.031 7.64 10.81 0.000 0.000 0.0 0.000 0.000 0.00 1.5-2.4-.37 2.4 2.6 .61 -1.380 1 0 1 0 0.0 26970.699 29.67 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .14-1.4-.23 .14 1.4 .23 -1.260 1 0 1 0 0.0 11747.700 12.45 10.73 0.000 0.000 0.0 0.000 0.000 0.00 1.4-1.1-.15 1.4 1.1 .15 -1.140 2 0 2 0 0.0 11364.650 14.70 10.82 0.000 0.000 0.0 0.000 0.000 0.00 1.2-1.1-.12 1.4 1.1 .12 -1.020 4 1 4 1 0.0 8971.600 14.02 11.52 0.606 -0.081 9.1 0.000 1.212 0.00 1.0-.96-.05 1.6 .96 .18 -0.900 7 0 7 0 0.0 24848.692 28.52 10.91 0.000 0.000 0.0 0.000 0.000 0.00 .75-.82-.19 1.3 .82 .20 -0.780 7 0 7 0 0.0 12349.014 17.80 10.86 0.000 0.000 0.0 0.000 0.000 0.00 .11-.72-.10 1.0 .72 .24 -0.660 7 0 7 0 14.3 9779.325 14.86 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .45-.58-.06 1.2 .58 .16 -0.540 8 0 8 0 0.0 11080.150 16.31 10.80 0.000 0.000 0.0 0.000 0.000 0.00-.14-.48 .05 .80 .48 .22 -0.420 23 3 22 5 4.3 29074.728 31.49 10.99 0.095 -0.002 2.7 0.000 0.310 0.00 .09-.35-.08 .40 .35 .19 -0.300 97 11 96 12 2.1 43813.313 44.77 11.35 0.131 0.008 5.3 0.232 0.225 0.28 .04-.23-.01 .32 .24 .10 -0.180 155 34 143 46 2.6 49124.126 53.53 11.83 0.093 -0.008 5.9 0.000 0.202 0.00 .06-.12-.04 .19 .13 .10 -0.060 232 29 222 40 1.3 60617.971 68.26 12.09 0.092 0.000 12.1 0.241 0.183 0.71 .02-.01-.03 .20 .04 .15 0.060 109 14 109 15 1.8 41515.156 52.49 11.65 0.140 0.003 13.5 0.248 0.252 1.15 .00 .10-.05 .21 .11 .16 0.180 33 3 33 3 9.1 31762.831 48.52 11.06 0.052 0.010 4.2 0.000 0.104 0.00 .00 .23-.03 .46 .23 .14 0.300 12 0 12 0 0.0 10566.383 15.21 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .61 .35-.05 1.5 .35 .18 0.420 10 0 10 0 10.0 8559.376 13.84 10.77 0.000 0.000 0.0 0.000 0.000 0.00 .67 .47-.05 1.9 .47 .18 0.540 7 0 7 0 14.3 5409.656 10.82 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .45 .60-.17 .69 .61 .21 0.660 3 0 3 0 0.0 8558.462 14.77 10.79 0.000 0.000 0.0 0.000 0.000 0.00 .05 .75-.11 .61 .75 .28 0.780 2 0 2 0 0.0 14296.650 17.00 10.70 0.000 0.000 0.0 0.000 0.000 0.00 .78 .81-.22 .79 .81 .22 0.900 1 0 1 0 0.0 10948.500 15.20 10.69 0.000 0.000 0.0 0.000 0.000 0.00 .70 .92-.23 .70 .92 .23 1.020 3 0 3 0 33.3 3566.002 6.59 10.63 0.000 0.000 0.0 0.000 0.000 0.00 1.4 1.1-.23 1.4 1.1 .29 1.140 4 0 4 0 25.0 4282.258 9.87 10.79 0.000 0.000 0.0 0.000 0.000 0.00-.05 1.2 .08 1.3 1.2 .39 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 2 0 2 1 0.0 14864.500 14.49 10.58 0.011 -0.011 0.2 0.000 0.000 0.00 2.0 1.9-.22 2.0 1.9 .22 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.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 0.0 620.832 5.08 10.89 0.000 0.000 0.0 0.000 0.000 0.00-2.2-3.0-1.5 2.2 3.0 1.5 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 2 0 2 0 0.0 5545.900 10.34 10.96 0.000 0.000 0.0 0.000 0.000 0.00 .36 .03-.98 .42 .07 .98 -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 0 1 0 0.0 17761.400 18.97 10.76 0.000 0.000 0.0 0.000 0.000 0.00 .19 .11-.72 .19 .11 .72 -0.660 1 0 1 0 0.0 21190.100 22.43 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .18-.04-.54 .18 .04 .54 -0.540 3 0 3 0 33.3 4979.804 7.41 10.89 0.000 0.000 0.0 0.000 0.000 0.00 2.1-2.6-.52 2.9 3.1 .52 -0.420 10 1 10 1 30.0 2053.367 5.69 11.23 0.357 0.013 1.4 0.000 0.714 0.00 1.2 .36-.37 2.0 .73 .37 -0.300 54 3 54 4 0.0 29803.770 41.21 11.18 0.095 -0.013 7.1 0.000 0.215 0.00 .62-.08-.22 1.0 .83 .22 -0.180 252 31 245 38 3.2 37186.186 43.45 11.51 0.117 0.002 8.5 0.434 0.231 0.35 .20-.07-.11 .51 .28 .11 -0.060 302 44 285 61 1.0 57275.176 60.75 11.85 0.085 -0.000 7.3 0.166 0.191 1.15 .02-.06-.00 .20 .17 .03 0.060 79 10 78 13 3.8 49714.876 59.85 11.81 0.120 -0.003 15.9 0.248 0.200 0.71-.18-.02 .10 .40 .23 .11 0.180 20 5 20 6 15.0 34809.729 63.05 11.67 0.163 0.028 8.8 0.232 0.129 0.28-.40-.05 .22 .65 .37 .22 0.300 7 0 7 0 0.0 5324.329 9.67 10.75 0.000 0.000 0.0 0.000 0.000 0.00-.32-.28 .37 .70 .64 .37 0.420 5 0 5 0 20.0 7138.822 15.57 11.17 0.000 0.000 0.0 0.000 0.000 0.00-.64 .32 .47 .96 .77 .47 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 0.660 1 0 1 0 0.0 23959.000 24.12 10.80 0.000 0.000 0.0 0.000 0.000 0.00-.16-.05 .72 .16 .05 .72 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 19440.699 22.15 10.72 0.000 0.000 0.0 0.000 0.000 0.00-.14-.02 .96 .14 .02 .96 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_20.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 616 0 616 0 3.2 37780.017 44.86 11.43 0.000 0.000 0.0 0.000 0.000 0.00 .13-.07-.05 .61 .43 .17 1.000 114 55 57 114 1.8 81868.806 85.41 12.61 0.093 0.000 7.5 0.000 0.193 0.00-.00-.06-.03 .24 .24 .10 2.000 9 3 3 9 0.0 55340.267 103.19 13.28 0.205 0.000 22.6 0.240 0.258 0.71-.26-.01 .05 .56 .09 .11 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_20.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 739 58 676 123 3.0 44795.124 52.31 11.64 0.099 0.000 8.6 0.240 0.195 0.71 .11-.07-.04 .57 .41 .16 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 127 26 97 57 0.8 109828.74 128.65 13.24 0.098 0.000 13.0 0.240 0.183 0.71-.08-.04-.00 .24 .15 .11 2.011 101 14 87 28 5.0 65267.268 70.95 12.13 0.111 0.000 6.9 0.000 0.239 0.00-.02-.06-.07 .25 .33 .19 1.597 96 10 86 20 1.0 40746.742 45.14 11.61 0.093 0.000 3.9 0.000 0.199 0.00 .05-.04-.05 .11 .16 .10 1.395 82 4 78 8 0.0 32463.309 35.51 11.39 0.090 0.000 3.7 0.000 0.191 0.00 .07-.03-.04 .11 .23 .12 1.268 70 1 69 2 2.9 26800.119 30.96 11.24 0.127 0.000 3.0 0.000 0.225 0.00 .05-.09-.05 .18 .37 .14 1.177 71 3 68 6 1.4 23431.273 25.89 11.07 0.076 0.000 1.5 0.000 0.162 0.00 .09-.11-.07 .26 .45 .16 1.108 59 0 59 0 1.7 15535.909 19.66 10.94 0.000 0.000 0.0 0.000 0.000 0.00 .11-.07-.05 .41 .36 .13 1.052 51 0 51 0 2.0 14897.152 19.29 10.75 0.000 0.000 0.0 0.000 0.000 0.00 .16-.10-.03 .67 .61 .28 1.007 46 0 45 2 15.2 10158.204 13.81 10.74 0.011 0.000 0.2 0.000 0.000 0.00 .45-.06-.05 1.1 .93 .24 0.968 36 0 36 0 8.3 8510.958 12.16 10.65 0.000 0.000 0.0 0.000 0.000 0.00 .97-.21-.02 1.8 .56 .17 0.934 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 39 3 37 5 56.4 391.110 1.42 11.30 0.553 -0.020 1.7 0.000 0.738 0.00 .34-.04-.11 1.3 .86 .35 1047.617 19 2 19 2 0.0 1529.126 4.44 11.11 0.480 -0.035 2.6 0.000 0.960 0.00 .37 .19-.12 .66 .46 .29 2095.234 40 1 40 1 0.0 3176.450 7.92 11.40 1.197 -0.020 8.6 0.000 2.394 0.00 .32-.27-.05 1.0 .90 .18 4190.469 84 4 84 4 0.0 5993.012 10.88 11.12 0.376 -0.001 5.8 0.000 0.752 0.00 .15-.06-.02 .85 .41 .16 8380.938 121 7 120 8 0.0 12213.962 17.97 11.26 0.217 -0.007 5.0 0.000 0.460 0.00 .14-.08-.05 .51 .41 .16 16761.875 149 14 141 23 0.0 23978.348 27.83 11.38 0.129 -0.003 4.7 0.000 0.359 0.00 .11-.06-.04 .41 .31 .16 33523.750 146 19 131 35 0.0 47980.314 46.24 11.84 0.137 -0.003 10.3 0.243 0.251 0.71 .00-.07-.03 .15 .18 .09 67047.500 83 13 77 19 0.0 89535.841 70.88 12.17 0.120 -0.005 9.8 0.232 0.271 0.28 .01-.09-.04 .18 .15 .09 134095.000 46 13 37 22 0.0 183411.91 126.72 13.14 0.079 0.010 10.8 0.000 0.178 0.00-.03-.01-.03 .12 .11 .08 268190.000 12 2 10 4 0.0 375383.92 228.92 13.21 0.065 0.000 20.0 0.000 0.123 0.00-.06-.04 .05 .13 .12 .09 536380.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 19 2 19 2100.0 101.284 0.35 11.44 2.314 -0.303 2.1 0.000 4.627 0.00 .64-.14-.05 1.7 .85 .25 1.810 18 1 18 1 16.7 699.928 2.45 11.00 0.309 -0.024 1.0 0.000 0.617 0.00 .17 .26-.06 .62 .57 .24 3.275 27 4 27 4 0.0 1713.962 4.54 11.17 0.460 -0.009 2.1 0.000 0.920 0.00 .48-.32-.19 1.3 1.3 .41 5.928 66 2 66 2 0.0 4603.998 8.57 10.94 0.588 -0.004 5.8 0.000 1.177 0.00 .29-.08-.02 .98 .41 .17 10.729 135 3 134 5 0.0 10309.648 15.16 11.14 0.121 -0.001 3.4 0.000 0.562 0.00 .18-.06-.04 .62 .47 .18 19.417 180 13 172 22 0.0 23055.386 26.90 11.33 0.173 -0.008 5.4 0.000 0.484 0.00 .06-.08-.04 .20 .24 .14 35.141 157 20 143 34 0.0 50237.780 46.76 11.85 0.094 0.002 4.7 0.000 0.224 0.00 .02-.08-.04 .17 .18 .09 63.599 87 15 74 29 0.0 96912.377 85.23 12.62 0.114 -0.003 13.3 0.240 0.215 0.71-.03-.05-.04 .22 .13 .10 115.102 40 11 32 20 0.0 187451.18 146.58 13.27 0.094 0.006 13.5 0.000 0.197 0.35-.03-.00-.02 .07 .09 .10 208.314 10 2 8 4 0.0 338040.48 289.26 12.69 0.065 0.000 20.0 0.000 0.123 0.00-.11 .02 .04 .19 .12 .07 377.011 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 10 11 22 0.0 91925.637 81.95 12.45 0.015 0.000 1.1 0.000 0.030 0.00 .06 .01-.04 .47 .42 .09 0.030 11 7 7 11 0.0 122237.73 118.22 13.41 0.048 0.023 5.3 0.107 0.119 2.83 .05-.06-.00 .06 .10 .04 0.060 18 12 12 18 0.0 121422.69 118.11 12.80 0.073 0.000 7.6 0.000 0.144 0.28-.04-.05-.03 .11 .09 .07 0.090 16 13 13 16 0.0 98951.700 81.37 12.55 0.104 0.013 8.3 0.000 0.209 0.45 .03-.11-.05 .10 .14 .09 0.120 10 10 10 10 0.0 82086.369 78.84 12.49 0.138 0.047 9.4 0.000 0.277 0.00 .03-.14-.03 .10 .17 .07 0.150 8 7 8 8 0.0 70674.050 82.39 13.20 0.167 0.081 13.6 0.215 0.312 0.45 .01-.02 .00 .07 .10 .09 0.180 8 8 8 8 0.0 68747.213 79.93 12.62 0.201 0.002 13.1 0.232 0.356 0.28-.20 .01 .03 .47 .14 .09 0.210 6 5 6 6 0.0 39052.517 57.74 12.53 0.221 0.027 14.2 0.000 0.406 2.83-.08-.07 .02 .22 .11 .09 0.240 1 1 1 1 0.0 40495.000 46.97 12.34 0.246 -0.246 11.6 0.000 0.492 0.00-.10-.01-.16 .10 .01 .16 0.270 5 5 5 5 0.0 34582.440 50.48 12.66 0.279 -0.072 10.4 0.000 0.559 0.00-.03-.10-.08 .11 .16 .12 0.300 4 4 4 4 0.0 35573.448 62.90 11.63 0.324 -0.324 16.2 0.136 0.623 2.83-.42 .05-.00 .55 .18 .12 0.330 3 3 3 3 0.0 8464.184 21.35 11.94 0.344 -0.125 6.1 0.000 0.687 0.00 .07-.19-.16 .21 .22 .24 0.360 1 1 1 1 0.0 15231.000 25.54 12.71 0.369 -0.369 9.4 0.000 0.738 0.00 .05-.02-.04 .05 .02 .04 0.390 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 1 1 1 1 0.0 20607.199 26.40 11.58 0.440 -0.440 11.6 0.000 0.881 0.00 .00-.08-.10 .00 .08 .10 0.450 2 2 2 2 0.0 17490.997 61.90 11.98 0.458 -0.439 21.0 0.378 0.253 0.45-.08-.07-.08 .09 .19 .21 0.480 1 1 1 1 0.0 42814.898 111.88 13.80 0.490 -0.490 54.8 0.434 0.169 0.28 .05-.03-.10 .05 .03 .10 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 6 6 6 6 33.3 5002.354 16.61 12.90 0.701 -0.701 8.1 0.000 1.402 0.00-.14-.21 .10 .32 .42 .19 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 7 7 7 7 28.6 10404.146 33.26 13.03 0.577 -0.577 14.8 0.434 0.677 0.28-.12-.18 .07 .30 .39 .18 -0.460 2 2 2 2 0.0 27457.449 46.90 11.39 0.451 -0.451 25.9 0.378 0.480 0.45-.06 .01 .01 .08 .10 .11 -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 -0.380 1 1 1 1 0.0 15231.000 25.54 12.71 0.369 -0.369 9.4 0.000 0.738 0.00 .05-.02-.04 .05 .02 .04 -0.340 5 5 5 5 0.0 31963.438 57.85 11.59 0.326 -0.326 15.3 0.136 0.629 2.83-.37 .02-.02 .50 .16 .12 -0.300 2 2 2 2 0.0 54687.650 65.88 12.26 0.277 -0.277 13.3 0.000 0.555 0.00 .04-.24-.09 .14 .25 .17 -0.260 3 2 3 3 0.0 42482.400 68.91 11.94 0.230 -0.230 17.1 0.000 0.467 0.00-.25 .00-.03 .31 .05 .11 -0.220 4 4 4 4 0.0 71604.450 76.11 13.07 0.202 -0.202 12.7 0.000 0.405 0.00-.00-.10 .00 .06 .17 .07 -0.180 4 4 4 4 0.0 47072.125 54.01 12.02 0.159 -0.159 8.8 0.000 0.318 0.00 .07-.18-.01 .10 .22 .06 -0.140 8 8 8 8 0.0 108053.96 85.96 12.33 0.117 -0.117 10.1 0.000 0.233 0.00 .04-.12-.04 .13 .14 .10 -0.100 9 9 9 9 0.0 124603.54 125.13 12.61 0.074 -0.074 7.8 0.000 0.147 0.00-.09-.05-.04 .14 .08 .07 -0.060 8 8 8 8 0.0 79372.475 88.59 13.15 0.036 -0.036 3.1 0.107 0.100 2.83 .01-.06-.01 .08 .10 .10 -0.020 17 8 9 17 0.0 93006.095 79.76 12.47 0.011 0.000 0.8 0.000 0.023 0.00 .09 .03-.04 .53 .47 .08 0.020 8 8 8 8 0.0 143861.95 127.01 13.04 0.047 0.047 5.5 0.000 0.093 0.00 .05-.06-.01 .06 .13 .06 0.060 14 14 14 14 0.0 115484.16 104.66 13.13 0.080 0.080 7.9 0.000 0.156 0.35 .02-.05-.05 .07 .10 .08 0.100 8 8 8 8 0.0 72974.188 68.20 12.47 0.114 0.114 7.4 0.000 0.229 0.00 .05-.12-.01 .08 .17 .05 0.140 9 8 9 9 0.0 86707.533 89.45 13.11 0.157 0.157 12.9 0.215 0.298 0.45-.01-.03-.03 .06 .10 .10 0.180 7 7 7 7 0.0 53166.672 72.74 12.67 0.203 0.203 13.0 0.232 0.320 0.85-.19 .02 .05 .50 .13 .10 0.220 1 1 1 1 0.0 38756.102 36.13 11.73 0.234 0.234 8.5 0.000 0.468 0.00-.03-.08-.12 .03 .08 .12 0.260 3 3 3 3 0.0 21178.967 36.00 12.92 0.282 0.282 8.4 0.000 0.565 0.00-.08-.01-.07 .08 .05 .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 2 2 2 2 0.0 3934.576 11.42 12.20 0.353 0.353 3.2 0.000 0.706 0.00 .20-.24-.19 .22 .27 .29 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.460 1 1 1 1 0.0 674.294 3.86 12.76 0.471 0.471 1.8 0.000 0.942 0.00-.03-.25-.28 .03 .25 .28 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.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 6 7 14 0.0 30758.585 35.80 11.70 0.010 0.000 0.4 0.000 0.020 0.00 .09 .04-.04 .59 .53 .10 1.000 14 8 8 14 7.1 86431.346 86.31 12.69 0.018 -0.001 1.5 0.000 0.035 0.00 .02-.10-.03 .12 .15 .16 2.000 7 6 6 7 14.3 51563.260 61.09 12.35 0.044 0.024 2.7 0.000 0.080 0.00 .02-.07 .01 .08 .15 .12 3.000 11 7 7 11 0.0 62527.373 62.49 12.51 0.054 -0.011 3.4 0.107 0.157 2.83 .03-.11-.04 .12 .18 .06 4.000 10 7 7 10 0.0 36099.801 47.31 12.48 0.095 0.025 4.4 0.000 0.208 0.00 .02-.03-.03 .07 .09 .06 5.000 11 8 8 11 0.0 67017.909 70.04 12.87 0.079 0.013 5.5 0.000 0.158 0.00 .05-.12-.02 .09 .15 .05 6.000 6 6 6 6 0.0 96340.933 85.01 12.64 0.076 0.016 6.3 0.000 0.152 0.00 .04-.07-.09 .09 .16 .12 7.000 5 5 5 5 0.0 59819.560 62.46 12.66 0.121 -0.029 7.5 0.000 0.241 0.00-.01-.10-.07 .11 .10 .12 8.000 5 5 5 5 0.0 22431.280 35.34 12.23 0.240 0.028 8.5 0.000 0.479 0.00-.06-.07-.07 .12 .15 .12 9.000 4 4 4 4 0.0 37266.575 59.47 12.70 0.156 0.042 9.3 0.000 0.297 0.28-.14-.27 .06 .39 .51 .12 10.000 1 1 1 1 0.0 83183.297 69.57 12.92 0.148 0.148 10.3 0.000 0.296 0.00-.05-.14-.09 .05 .14 .09 11.000 4 4 4 4 0.0 34302.125 43.30 12.15 0.272 -0.272 11.8 0.000 0.544 0.00-.09-.08-.10 .11 .10 .11 12.000 1 1 1 1 0.0 55467.602 121.96 13.69 0.099 0.099 12.0 0.000 0.148 0.45-.03-.01-.11 .03 .01 .11 13.000 1 1 1 1 0.0 76391.398 87.10 12.68 0.155 0.155 13.5 0.000 0.309 0.00-.05 .11-.12 .05 .11 .12 14.000 4 4 4 4 0.0 179263.03 131.49 13.74 0.109 0.109 14.4 0.000 0.217 0.00-.07 .03-.05 .07 .06 .07 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 2 2 2 2 0.0 177229.00 124.99 13.99 0.128 -0.128 16.1 0.000 0.257 0.00-.04-.07 .08 .05 .07 .08 17.000 4 4 4 4 0.0 168801.60 146.51 13.41 0.119 0.051 17.5 0.215 0.219 0.45-.09-.02 .02 .15 .10 .05 18.000 3 2 3 3 0.0 152142.60 199.52 14.04 0.093 0.041 18.6 0.000 0.171 0.00-.02-.04 .06 .10 .04 .11 19.000 1 1 1 1 0.0 79936.703 96.83 11.06 0.202 0.202 19.6 0.232 0.091 0.28-1.3-.20 .20 1.3 .20 .20 20.000 2 2 2 2 0.0 144560.50 125.16 12.35 0.164 -0.164 20.5 0.000 0.328 0.00-.00-.11-.06 .18 .13 .13 21.000 4 3 4 4 0.0 195128.20 194.08 11.91 0.112 -0.017 21.6 0.136 0.209 2.83-.46 .02 .03 .58 .07 .08 22.000 3 3 3 3 0.0 212782.70 230.33 13.93 0.097 -0.003 22.4 0.000 0.194 0.00-.04-.05 .05 .07 .06 .05 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 6 5 5 6 0.0 93638.084 114.70 13.66 0.260 -0.106 33.8 0.409 0.408 0.71-.04 .04 .01 .07 .08 .08 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 739 58 676 123 3.0 44795.124 52.31 11.64 0.099 0.000 8.6 0.240 0.195 0.71 .11-.07-.04 .57 .41 .16 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 67 4 63 8 3.0 85535.120 102.47 12.26 0.056 0.000 11.5 0.000 0.107 0.00-.01-.14-.06 .43 .51 .22 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_20.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 2.011 97 138 70.29 1.31 0.098 26 18.84 0.098 128.65 0.8 to 1.597 184 268 68.66 1.24 0.101 40 14.93 0.111 70.95 5.0 to 1.395 270 408 66.18 1.20 0.100 50 12.25 0.093 45.14 1.0 to 1.268 348 530 65.66 1.17 0.100 54 10.19 0.090 35.51 0.0 to 1.177 417 662 62.99 1.14 0.100 55 8.31 0.127 30.96 2.9 to 1.108 485 788 61.55 1.13 0.100 58 7.36 0.076 25.89 1.4 to 1.052 544 914 59.52 1.11 0.100 58 6.35 0.000 19.66 1.7 to 1.007 595 1042 57.10 1.10 0.100 58 5.57 0.000 19.29 2.0 to 0.968 640 1176 54.42 1.10 0.099 58 4.93 0.011 13.81 15.2 to 0.934 676 1297 52.12 1.09 0.099 58 4.47 0.000 12.16 8.3