SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:23:59 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 10 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 29.50 (from frame neal054_09_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_09_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_09_0001.sfrm) Base offset per exposure: 64 (from frame neal054_09_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_09_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:23:59 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_09_0001.sfrm Nominal time per frame (s): 50 Intensity normalization in deg/min: 1.2 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:24:00 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_09_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:24:00 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_09_0001.sfrm Active pixel mask written to neal054_am_09_0001.sfrm Fraction of mask marked active: 0.9773 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 77.435 346.441 153.000 65.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 92 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:24:01 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 98.82% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 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 7 -0.08 -0.23 -0.25 0.15 0.31 0.36 21581 47 14 0.30 24 0.78 0.78 2.27 1.000 3_0004 4 -0.16 -0.87 0.05 0.22 1.00 0.27 9195.0 32 0 0.21 30 0.78 0.78 2.27 1.000 4_0005 11 0.20 -0.73 -0.04 0.57 0.86 0.27 54060 63 0 0.47 29 0.78 0.78 2.27 1.000 5_0006 4 0.05 -0.48 0.03 0.27 0.52 0.19 14859 46 0 0.56 25 0.78 0.78 2.27 1.000 6_0007 10 0.13 -0.50 -0.12 0.21 0.78 0.49 33519 50 10 0.54 25 0.78 0.78 2.27 1.000 7_0008 5 0.34 -0.49 0.01 0.55 0.72 0.28 15927 34 0 0.52 28 0.78 0.78 2.27 1.000 8_0009 12 0.11 -0.48 -0.07 0.27 0.52 0.20 21708 52 0 0.54 27 0.78 0.78 2.27 1.000 9_0010 9 -0.18 -0.45 0.02 0.43 0.72 0.81 41487 54 33 0.51 27 0.78 0.78 2.27 1.000 10_0011 12 0.21 -0.52 -0.16 0.41 0.58 0.28 17469 39 0 0.56 25 0.78 0.78 2.27 1.000 11_0012 12 -0.08 -0.48 -0.14 0.30 0.59 0.27 34885 48 0 0.66 26 0.78 0.78 2.27 1.000 12_0013 11 0.26 -0.65 0.07 0.40 0.93 0.26 64713 65 9 0.57 28 0.78 0.78 2.27 1.000 13_0014 7 0.14 -0.57 -0.20 0.29 0.75 0.52 11876 35 0 0.66 27 0.78 0.78 2.27 1.000 14_0015 4 0.05 -0.59 -0.09 0.38 0.64 0.37 146233 178 0 0.72 30 0.78 0.78 2.27 1.000 15_0016 8 0.30 -0.34 -0.10 0.44 0.52 0.31 18628 47 13 0.55 28 0.78 0.78 2.27 1.000 16_0017 12 0.17 -0.40 0.10 0.42 0.46 0.78 36293 58 8 0.59 27 0.78 0.78 2.27 1.000 17_0018 14 0.15 -0.47 -0.01 0.33 0.61 0.24 24214 39 7 0.63 26 0.78 0.78 2.27 1.000 18_0019 11 -0.03 -0.54 -0.06 0.12 0.66 0.23 21885 47 0 0.70 27 0.78 0.78 2.27 1.000 19_0020 10 0.05 -0.44 -0.15 0.40 0.63 0.25 47164 85 0 0.68 27 0.78 0.78 2.27 1.000 Background pixels updated = 97.65% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 9 0.14 -0.41 0.14 0.41 0.53 0.42 18438 42 0 0.71 26 0.78 0.78 2.27 1.000 21_0022 5 0.09 -0.32 -0.26 0.27 0.37 0.42 171169 162 0 0.67 24 0.78 0.78 2.27 1.000 22_0023 8 0.17 -0.33 -0.05 0.23 0.39 0.18 5081.9 18 0 0.60 26 0.78 0.78 2.27 1.000 23_0024 9 0.04 -0.33 -0.12 0.20 0.44 0.33 14467 37 11 0.65 27 0.78 0.78 2.27 1.000 24_0025 10 0.12 -0.42 -0.03 0.40 0.58 0.26 59624 86 0 0.71 27 0.78 0.78 2.27 1.000 25_0026 12 0.26 -0.46 -0.17 0.37 0.54 0.43 24080 45 0 0.66 27 0.78 0.78 2.27 1.000 26_0027 13 0.16 -0.36 -0.15 0.29 0.45 0.30 76066 104 0 0.68 29 0.78 0.78 2.27 1.000 27_0028 11 0.07 -0.39 -0.09 0.22 0.51 0.34 31587 56 0 0.63 25 0.78 0.78 2.27 1.000 28_0029 7 0.13 -0.16 -0.02 0.29 0.22 0.16 36961 75 0 0.73 25 0.78 0.78 2.27 1.000 29_0030 10 0.24 -0.27 -0.12 0.33 0.30 0.17 21620 45 0 0.72 27 0.78 0.78 2.27 1.000 I/Sigma = 37.14 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.046 Region 1 Sum = 8652.56; Maximum = 123.215; FM = 0.415 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 3 5 2 1 1 1 1 0 0 16 20 16 12 7 5 2 1 0 0 1 1 0 1 1 0 0 0 3 6 4 2 2 2 1 1 1 14 31 31 23 15 9 4 3 1 1 1 0 0 0 0 0 0 0 3 5 4 2 2 1 1 1 0 14 22 23 17 11 6 4 2 1 0 0 0 0 0 0 0 0 0 1 3 2 2 2 1 1 1 1 7 15 14 11 8 5 3 2 1 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 1 6 11 12 10 7 4 2 2 1 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 3 5 6 6 5 3 2 2 1 0 1 1 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 2 4 5 5 4 3 2 2 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 3 4 3 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 2 2 2 2 1 1 0 !Region 1: Section 4->6 21 29 30 26 17 17 8 5 1 11 18 26 24 22 34 21 14 6 2 6 10 11 16 32 28 25 14 25 69 86 80 58 38 20 11 4 19 56 86100 92 79 58 38 16 5 16 32 49 63 73 72 59 25 24 42 52 46 34 23 13 7 2 16 34 48 54 51 45 35 26 11 4 12 19 29 38 47 51 48 23 13 30 37 36 29 20 12 7 3 9 25 38 47 49 43 34 23 10 3 8 16 26 38 44 47 43 21 12 27 34 32 25 18 11 7 3 10 24 35 40 41 37 29 22 8 3 8 13 21 30 35 38 36 16 5 11 14 17 14 10 7 5 2 4 11 17 23 24 22 20 16 7 2 5 9 15 20 26 31 31 18 4 10 14 16 14 10 7 5 2 4 10 16 24 25 24 21 17 7 2 4 8 15 20 26 30 30 14 2 7 10 11 11 8 6 5 2 2 7 13 17 19 19 17 14 7 1 3 7 11 17 22 25 25 14 0 2 4 5 5 4 2 2 1 1 3 6 8 9 7 6 5 2 1 2 3 6 9 7 8 10 5 !Region 1: Section 7->9 0 1 2 3 5 12 16 22 16 0 0 1 1 0 1 3 8 7 0 0 0 0 0 0 0 1 1 1 2 5 9 17 28 38 40 20 0 0 1 2 2 4 8 12 8 0 0 0 1 0 1 1 1 1 1 3 4 7 13 22 33 40 23 1 1 1 1 2 4 8 13 9 1 1 0 1 0 1 1 1 1 1 2 3 6 12 20 30 37 21 1 1 1 2 2 4 7 12 9 1 0 0 1 0 1 1 1 1 1 2 2 5 9 15 23 28 15 0 1 1 1 1 3 6 10 7 0 0 0 0 0 1 1 1 1 1 2 3 5 8 14 21 29 20 0 1 1 2 2 3 6 10 8 0 0 1 1 1 1 1 1 0 0 2 2 4 7 12 19 26 15 0 1 1 1 1 3 5 10 7 0 1 1 0 0 0 1 1 1 1 2 3 4 7 11 16 21 14 0 1 2 1 1 3 5 7 6 0 0 1 0 0 1 1 1 1 0 1 1 2 4 4 5 9 8 0 0 0 0 1 1 1 3 4 0 0 0 0 1 0 0 0 0 I/Sigma = 262.06 Thresh = 0.020 Blend = F #Contributing = 69 InitialProfileWt = 0.031 Region 2 Sum = 304096; Maximum = 4207.65; FM = 0.902 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 6 7 5 2 1 0 0 0 1 1 1 0 0 0 0 0 1 4 6 8 4 1 0 0 0 2 9 19 27 18 7 3 1 0 0 1 1 2 1 0 0 0 0 1 4 9 15 11 3 1 0 0 2 9 24 41 33 15 5 1 0 0 1 1 2 1 0 0 0 0 1 4 10 18 17 7 1 0 0 2 10 26 46 44 22 6 1 0 0 1 1 2 1 1 0 0 0 1 4 9 16 17 9 1 0 0 2 11 26 44 46 27 6 1 0 0 0 1 1 1 1 0 0 0 1 3 7 11 12 7 1 0 0 2 9 21 34 34 20 4 1 0 0 0 0 1 1 0 0 0 0 0 2 4 6 7 3 0 0 0 1 5 14 20 18 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 3 8 12 8 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 3 2 1 0 0 0 !Region 2: Section 4->6 1 3 9 15 14 7 2 1 0 0 2 7 16 19 11 5 2 1 0 1 3 9 13 10 8 4 1 2 11 28 50 45 24 11 3 1 1 7 21 50 54 34 18 6 1 0 2 9 25 34 29 20 9 2 3 13 39 76 72 41 17 4 1 2 9 36 80 83 51 24 7 1 1 4 18 43 51 41 25 11 2 3 17 48 87 87 58 22 4 1 2 16 53 96100 73 32 8 1 1 8 29 52 61 52 30 11 2 3 24 58 85 88 63 22 4 1 3 26 66 91 97 75 31 6 1 1 13 35 53 63 54 30 9 2 3 21 50 71 69 44 13 2 0 3 25 59 79 79 53 18 4 1 1 12 31 48 56 43 21 6 1 1 10 32 51 44 20 5 1 0 1 11 37 60 55 26 8 2 1 1 6 19 37 40 25 11 4 1 1 4 16 30 21 7 2 1 0 1 4 16 35 26 9 3 1 0 0 2 9 23 23 12 5 2 0 0 1 3 7 4 1 1 0 0 0 1 3 9 5 2 1 1 0 0 0 3 7 4 4 2 1 0 !Region 2: Section 7->9 0 0 1 3 6 6 6 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 17 19 16 8 2 0 0 1 4 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 2 7 17 26 28 22 11 2 0 1 3 6 8 9 7 4 1 0 0 0 0 0 0 0 0 0 0 3 12 21 30 33 24 11 3 0 1 4 7 9 10 8 4 1 0 0 0 0 0 0 0 0 0 0 5 13 24 36 37 25 10 2 0 2 4 8 12 12 9 4 1 0 0 0 0 0 0 0 0 0 0 3 11 26 38 34 20 7 1 0 1 3 8 13 12 7 3 1 0 0 0 0 0 0 0 0 0 0 2 7 22 28 23 12 4 1 0 0 2 8 10 8 4 2 0 0 0 0 0 0 0 0 0 0 0 1 5 17 21 14 7 2 1 0 0 2 6 8 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 3 4 2 1 0 0 0 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 153.89 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.069 Region 3 Sum = 117587; Maximum = 1774.39; FM = 0.633 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 3: Section 4->6 0 0 1 1 2 3 3 2 0 0 0 1 2 7 15 16 11 3 0 0 1 3 9 22 25 18 5 0 1 1 3 5 7 8 5 1 0 1 2 6 18 33 39 28 8 0 1 2 7 24 47 58 44 13 0 1 3 5 7 9 10 6 1 0 2 5 12 27 42 50 34 9 0 1 5 17 42 63 73 52 15 1 3 6 8 11 13 12 7 1 1 4 12 25 43 55 57 36 9 1 4 16 41 73 85 85 58 17 1 5 8 11 14 16 12 6 1 2 9 22 37 55 63 55 30 8 2 11 34 64 93100 85 51 14 2 6 10 13 16 14 9 4 1 3 14 28 42 58 58 42 22 5 3 21 46 70 94 95 72 40 10 2 5 10 13 13 9 5 2 1 3 14 28 39 48 41 27 14 3 4 22 45 62 78 72 50 27 7 1 4 7 9 8 5 3 1 0 2 9 21 28 30 24 16 9 2 2 15 33 47 50 42 29 17 4 0 1 3 3 2 1 1 0 0 0 3 7 9 9 6 3 2 1 0 4 12 16 16 12 6 5 1 !Region 3: Section 7->9 0 0 0 1 4 10 12 9 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 11 22 29 25 9 0 0 0 1 2 3 5 6 3 0 0 0 0 0 0 0 1 0 0 1 3 11 26 36 40 31 10 0 0 1 3 7 8 8 7 3 0 0 0 0 1 1 1 1 0 0 2 10 30 50 54 50 36 12 0 1 2 8 13 14 12 9 3 0 0 1 2 2 2 1 1 0 1 7 24 48 65 66 54 34 10 0 1 6 13 16 16 13 9 3 0 0 1 2 2 2 1 1 0 2 13 31 48 62 64 49 28 8 0 2 6 10 13 14 12 7 2 0 0 1 1 1 1 1 1 0 2 14 29 41 52 51 36 20 5 0 2 4 7 9 11 9 5 1 0 0 1 1 1 0 0 0 0 1 9 21 31 35 30 21 12 3 0 1 2 5 7 7 5 3 1 0 0 0 0 0 0 0 0 0 0 2 7 12 12 9 5 4 1 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 20.80 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 4 Sum = 3000.84; Maximum = 46.8291; FM = 0.404 !Region 4: Section 1->3 1 0 1 0 1 2 0 0 0 1 1 2 0 1 2 1 1 1 1 2 3 1 2 2 2 2 1 1 1 3 2 0 0 -1 -2 0 1 0 2 3 1 0 -1 -1 1 1 1 4 5 5 2 1 2 2 -1 2 1 0 0 0 1 1 2 0 1 1 1 0 0 2 2 2 2 1 3 5 4 2 3 3 2 0 1 1 1 0 1 0 1 1 1 1 3 2 1 3 3 1 1 3 3 4 6 3 4 4 2 1 0 1 2 -2 2 2 2 1 0 0 2 2 1 2 3 2 0 1 1 4 4 8 5 4 2 1 2 -1 -1 1 1 2 3 2 -1 0 -1 -1 1 2 3 2 2 -1 0 0 2 4 7 5 1 3 0 0 1 0 -1 2 3 1 0 -1 0 1 1 1 3 4 2 1 0 0 1 3 5 5 5 3 2 0 0 1 1 2 0 4 2 1 -1 0 1 4 5 2 4 1 1 1 0 2 7 8 6 4 1 2 2 0 1 2 2 1 1 1 0 -1 0 1 2 3 1 1 1 1 0 0 2 3 3 2 1 0 2 1 0 !Region 4: Section 4->6 3 6 9 8 7 7 7 5 1 3 8 12 13 14 20 22 20 9 2 5 7 9 17 29 37 46 33 3 12 21 24 20 14 13 9 3 4 16 29 36 38 37 42 40 19 2 9 15 23 37 54 70100 57 6 12 19 22 20 12 12 9 3 6 15 26 34 37 32 36 35 14 3 7 14 22 33 44 60 80 39 5 13 17 21 21 13 13 8 2 6 16 22 29 37 30 33 28 11 3 6 10 17 30 38 50 60 29 3 11 15 21 22 18 12 6 3 3 12 20 27 37 34 31 24 10 0 4 11 18 32 36 44 51 26 2 10 19 23 19 15 12 4 2 3 12 24 29 32 32 29 19 9 2 5 12 17 27 31 41 42 22 4 9 17 18 16 12 9 6 3 3 11 21 26 26 27 26 21 10 1 4 11 18 21 33 39 40 19 4 10 16 20 19 12 9 7 3 3 9 18 25 32 30 25 22 9 1 4 11 15 26 37 36 38 15 2 5 5 8 9 4 5 3 1 1 5 7 11 16 12 13 9 4 1 3 6 8 14 16 18 15 5 !Region 4: Section 7->9 1 2 2 3 10 17 26 38 33 1 0 0 0 3 4 8 9 9 0 0 -1 0 2 1 2 1 0 1 4 3 7 16 33 48 84 53 1 2 -1 2 4 8 12 20 14 0 1 -1 2 1 1 2 1 1 1 3 5 6 14 25 40 66 35 1 3 2 2 3 7 10 16 9 1 2 1 2 1 1 3 1 0 1 2 2 5 13 21 31 49 24 1 1 0 2 5 7 6 14 6 1 0 -1 1 2 3 1 2 1 0 1 3 8 16 17 26 41 22 0 1 1 3 4 4 5 11 5 0 1 0 1 1 2 1 1 0 1 1 5 6 13 14 25 33 18 0 1 2 2 4 2 5 7 4 0 1 0 0 1 1 1 0 0 1 2 3 7 9 16 24 27 13 2 2 1 0 3 1 4 6 2 1 1 0 -1 1 -1 0 1 0 0 2 5 5 10 19 19 25 9 1 1 3 1 1 4 2 4 1 1 1 2 1 0 1 0 -1 0 1 1 3 4 5 8 9 10 3 0 0 1 2 1 1 1 2 0 0 0 0 1 0 1 0 0 0 I/Sigma = 13.74 Thresh = 0.020 Blend = F #Contributing = 1 InitialProfileWt = 0.875 Region 5 Sum = 325.899; Maximum = 8.377; FM = 0.231 !Region 5: Section 1->3 -2 -2 -4 -2 0 1 0 -1 1 -1 -2 -2 -1 0 1 2 -1 1 0 -1 0 1 1 0 0 -3 -1 -2 -8 -7 -3 0 -3 -4 -5 1 -1 -5 -4 -2 0 -2 -2 -3 0 1 1 4 1 2 1 0 -3 -1 -2-10 -2 3 0 -5 -3 0 -1 -1 -6 -1 2 0 -3 -2 0 0 1 1 -1 1 3 -4 -1 -2 0 -2 6 -2 -1 0 -3 1 -5 -2 -1 4 -1 0 1 -2 1 -3 -1 1 -1 0 7 4 0 4 -2 -2 -1 -4 -9 -8 -1 3 3 -8 -2 -1 -2 -5 -5 0 2 2 -5 -1 0 1 4 4 4 3 0 -1 0 0 0-10 -9 4 4 2 -4 -1 0 0 -6 -5 4 3 1 -2 0 0 2 7 4 12 4 0 2 2 2 -6-11 1 0 0 -2 -1 0 1 -4 -7 1 1 0 -1 -1 0 2 4 0 0 6 1 -1 3 -1 1 -1 -5 7 0 -3 -1 3 1 1 -1 -3 5 0 -2 0 3 1 -2 -1 -1 -1 0 1 1 10 2 0 -1 -2 6 1 -3 -1 -2 0 0 -1 -1 4 1 -2 -1 -1 0 0 0 -1 -1 0 1 1 6 2 !Region 5: Section 4->6 0 -1 0 1 2 6 0 -4 -1 1 1 2 5 14 17 19 7 4 3 4 5 12 34 37 46 21 11 1 2 5 1 2 2 0 -4 -1 2 3 4 8 24 37 40 29 4 5 6 7 19 57 90100 75 12 1 1 -2 1 4 -5 -1 -2 0 2 2 1 8 18 26 30 26 3 4 4 5 18 43 67 74 66 8 2 -1 0 9 5 1 6 -2 -2 1 1 1 6 14 24 27 24 6 1 3 3 9 31 58 62 61 16 0 1 5 5 6 4 0 -1 1 1 1 2 4 9 18 20 22 9 4 1 2 5 16 41 50 56 22 -1 3 9 6 16 5 0 2 2 1 2 1 5 15 22 28 28 7 0 2 -5 8 24 51 69 69 16 3 5 1 0 8 2 -1 4 -1 1 2 -2 4 11 14 18 12 3 1 1 -6 9 21 33 45 27 9 -2 -1 -1 -1 -1 1 1 13 3 0 2 1 3 3 10 16 13 4 3 6 3 8 8 24 40 23 8 0 -1 -2 -1 1 1 1 8 2 1 2 2 0 1 6 8 12 2 1 4 6 1 3 14 20 24 4 !Region 5: Section 7->9 2 2 3 7 18 20 25 11 6 0 -1 0 0 0 1 0 1 0 0 -1 0 0 0 2 0 1 1 3 3 4 10 30 48 54 41 7 1 0 1 -3 -1 2 2 4 3 1 -1 1 -3 -1 0 2 4 3 3 3 2 9 23 36 41 36 5 3 5 -2 -1 -1 1 6 4 4 4 5 -2 -1 -2 1 7 4 4 2 3 1 5 16 32 34 33 9 9 8 -3 3 -1 3 7 0 0 10 9 -3 3 -2 3 8 0 1 3 2 1 2 8 21 27 30 12 6 6 2 -1 -2 -2 -2 0 0 6 7 2 -1 -3 -3 -2 0 0 0 1 -4 5 13 27 37 37 9 4 3 -5 3 1 0 -1 0 2 5 3 -5 3 2 0 -1 0 2 1 0 -4 6 12 18 25 15 5 2 0 -4 4 5 1 2 -1 1 2 0 -4 5 5 1 2 -1 2 2 4 2 5 5 14 22 13 4 2 2 -1 2 4 3 5 1 -1 2 3 -1 2 4 3 6 1 -1 1 2 3 1 2 8 11 13 2 1 1 0 1 4 2 0 0 -2 1 1 0 1 5 2 0 0 -2 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.00844; Maximum = 0.0173212; FM = 0.356 !Region 6: Section 1->3 -1 -1 -2 -1 0 0 0 0 1 1 3 1 0 1 1 2 0 1 7 14 11 7 5 2 1 -1 0 -1 -4 -4 -1 1 -2 -2 -2 1 2 2 1 1 2 -1 -1 -1 1 12 21 19 12 8 4 3 0 0 -1 -6 -1 2 0 -2 -1 0 0 1 0 2 3 1 -1 0 0 0 8 15 11 9 6 1 1 1 1 -1 4 -1 0 1 -2 1 -3 -1 0 5 1 1 1 0 1 -1 -1 5 8 8 9 5 3 4 1 0 -1 -2 -5 -5 -1 2 2 -5 -1 0 0 -2 -3 1 2 1 -2 -1 3 7 8 7 6 4 1 1 1 0 0 -6 -6 2 2 1 -2 -1 1 1 -3 -3 3 2 2 -1 0 1 6 8 5 10 3 2 2 1 1 -4 -7 1 0 1 0 -1 0 1 -1 -3 2 1 1 0 0 1 2 6 4 3 6 2 1 3 1 1 -1 -3 5 0 -2 1 2 1 1 0 -1 3 0 -1 1 2 1 0 2 2 2 1 1 2 7 2 0 -1 -1 3 1 -2 0 -1 0 0 0 -1 2 0 -1 0 0 0 0 1 1 0 0 0 0 4 1 !Region 6: Section 4->6 7 15 15 12 10 9 3 0 0 4 8 12 15 25 29 24 12 6 3 5 9 16 37 49 48 24 12 13 27 30 24 17 11 7 3 1 7 18 27 34 44 51 50 35 11 5 11 18 32 65 92100 73 20 10 19 18 16 13 4 4 2 2 6 14 19 25 34 38 38 30 9 4 9 14 28 52 73 77 63 16 6 11 14 16 11 7 8 3 1 3 10 16 21 29 34 33 27 11 2 7 12 20 41 62 64 56 21 5 11 14 13 11 7 4 3 2 4 9 16 18 21 27 27 25 12 4 5 12 16 28 47 54 51 24 2 9 12 10 15 7 3 3 2 3 7 10 16 22 27 29 27 10 2 5 5 17 30 51 61 58 21 4 8 7 5 9 5 2 5 1 4 7 7 13 20 23 23 17 7 2 4 3 17 30 40 45 30 14 0 3 4 4 3 4 3 10 3 2 7 8 11 13 19 20 17 7 3 8 9 14 20 33 40 29 13 0 1 1 1 2 2 1 6 2 1 3 5 5 6 10 10 11 3 2 4 7 7 9 17 20 20 6 !Region 6: Section 7->9 1 2 3 6 16 22 24 13 7 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 0 1 0 2 4 5 11 29 45 50 38 10 0 1 1 -1 1 4 4 5 3 1 0 1 -1 0 1 3 3 2 2 4 4 11 24 36 40 34 9 2 3 -1 0 0 3 7 5 4 2 4 -1 0 -1 1 6 3 3 1 4 4 8 18 30 33 30 11 5 6 -1 3 0 3 6 3 2 6 6 -1 3 -1 2 5 1 1 3 2 4 5 12 22 27 28 13 4 4 2 0 0 0 0 3 2 4 4 2 0 -1 -1 -2 1 1 1 2 0 7 15 25 32 33 12 3 2 -2 3 3 1 1 3 3 3 2 -3 3 2 1 0 1 1 1 2 0 8 14 20 24 18 8 1 1 -1 4 4 2 3 4 3 1 1 -2 3 4 1 2 1 1 2 4 3 6 9 16 22 17 7 1 2 1 1 3 2 6 5 1 1 2 0 2 3 2 4 2 0 1 2 3 3 4 8 11 12 3 0 0 0 1 3 1 1 1 0 1 0 0 1 3 1 0 0 -1 I/Sigma = 21.94 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 2776.77; Maximum = 32.333; FM = 0.435 !Region 7: Section 1->3 1 1 1 1 0 -1 1 2 1 4 10 7 3 2 0 1 2 1 15 37 31 17 11 4 3 3 1 1 2 1 2 1 0 2 4 2 8 14 10 7 4 1 3 4 2 31 54 43 28 17 8 8 6 1 1 1 -1 1 1 1 1 1 1 5 9 7 4 3 3 2 2 1 19 38 32 20 11 9 4 5 2 1 1 0 2 2 1 0 0 0 3 6 4 3 3 2 2 2 0 10 23 22 13 8 6 4 6 2 1 0 0 -1 -1 0 0 0 -1 2 3 3 0 1 1 1 1 0 8 17 14 10 9 5 3 5 1 1 -1 -1 -2 -1 0 1 1 -1 1 1 2 -1 1 0 2 1 0 4 12 10 5 8 2 4 3 1 1 0 1 2 1 2 3 0 0 1 2 3 4 2 2 3 1 1 2 9 9 7 6 2 2 2 3 2 1 1 0 0 1 4 1 1 2 2 2 2 1 1 4 1 1 3 6 7 5 3 2 3 2 1 0 0 0 -1 0 0 2 2 0 0 1 1 0 0 0 1 1 0 0 2 3 2 -1 -1 0 1 1 !Region 7: Section 4->6 16 39 38 26 21 12 8 7 2 6 16 26 29 43 51 34 20 8 3 7 16 25 47 74 54 28 12 31 58 56 44 30 18 15 11 3 12 30 49 57 64 64 62 42 20 5 18 32 49 75 96100 66 31 20 44 42 32 22 16 10 9 5 9 28 41 45 56 57 51 35 18 5 18 30 44 71 86 84 55 27 11 27 32 22 17 13 9 11 5 5 20 37 37 47 48 43 31 20 2 13 28 36 59 70 69 44 29 10 24 23 19 15 9 7 9 3 7 20 35 35 37 38 36 28 17 4 13 30 36 46 59 61 42 28 7 18 17 14 13 8 8 6 2 7 17 25 32 32 37 31 25 17 4 11 22 34 43 56 50 41 29 5 14 15 11 10 8 6 6 4 9 16 22 26 34 38 31 23 14 6 12 19 30 47 57 46 33 22 4 9 12 9 6 6 7 6 2 4 14 20 24 29 33 27 24 13 4 14 21 27 42 52 42 37 21 1 3 6 4 2 2 2 2 1 2 4 10 15 15 18 14 10 5 2 4 11 20 20 26 22 15 9 !Region 7: Section 7->9 1 2 3 7 14 28 21 11 5 -1 1 1 -1 0 1 0 1 1 0 1 1 -1 0 0 0 0 0 1 6 8 15 27 41 43 26 12 -1 3 2 2 3 7 6 2 1 -1 3 1 1 1 4 5 2 1 1 5 7 14 27 37 36 24 11 0 1 2 2 3 5 7 4 0 0 1 1 1 0 3 4 3 0 0 4 8 12 22 28 29 19 11 -1 2 3 4 3 2 2 4 2 0 1 2 3 1 1 1 3 2 2 3 9 10 18 25 26 20 13 1 -1 3 1 4 3 0 5 4 0 -1 2 2 2 2 -1 2 2 2 2 7 12 19 23 22 22 15 1 -1 3 5 5 2 2 6 3 0 0 2 3 3 2 1 1 0 2 5 7 12 19 24 20 19 11 1 4 3 4 5 4 6 9 3 0 2 1 2 3 2 3 4 1 2 6 7 8 16 22 22 21 11 0 2 2 0 1 1 7 10 3 -1 1 2 1 0 -1 2 5 1 1 2 3 7 7 10 11 9 5 0 -1 0 2 1 0 3 3 1 0 -1 0 1 0 0 1 1 0 I/Sigma = 36.49 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.230 Region 8 Sum = 8037.5; Maximum = 180.672; FM = 0.246 !Region 8: Section 1->3 0 1 0 0 0 0 0 0 0 3 6 3 2 1 1 1 0 0 11 41 19 11 7 2 1 0 0 1 1 0 1 1 1 1 0 0 7 9 4 3 2 1 1 1 0 33 59 32 21 10 4 3 1 0 1 1 1 0 1 1 1 0 0 4 6 3 2 1 1 2 1 0 27 44 23 14 6 3 2 1 0 0 0 0 0 1 1 1 0 0 2 3 1 1 1 1 1 1 0 17 29 15 10 5 2 2 1 0 0 0 0 0 0 1 0 0 0 2 2 1 1 1 1 0 1 0 11 19 10 7 4 2 1 1 0 0 0 0 0 0 1 0 0 0 1 2 1 1 0 1 1 1 0 7 12 7 5 3 2 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 4 6 4 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 2 3 3 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 !Region 8: Section 4->6 18 69 37 28 20 8 4 2 0 11 38 30 28 24 15 9 6 2 3 7 11 12 15 14 10 9 3 55100 64 50 28 13 7 4 1 30 56 49 45 33 24 18 11 3 4 11 16 20 22 23 22 18 5 46 76 48 33 18 9 7 3 1 24 43 36 31 24 19 16 10 4 4 8 12 15 18 21 21 17 6 29 54 35 24 13 7 5 3 1 15 32 28 25 21 17 14 9 3 2 7 10 13 16 19 20 16 5 19 36 24 17 10 7 4 2 1 10 24 21 18 16 14 12 8 3 2 6 8 9 13 16 19 17 6 11 22 15 12 8 5 4 2 0 6 15 14 14 13 12 11 7 2 1 4 6 8 12 15 19 17 6 7 13 11 9 7 4 3 2 1 4 9 10 12 11 10 9 6 2 1 3 5 8 10 12 15 14 5 4 8 7 6 5 3 2 1 1 3 7 8 9 9 8 7 5 2 1 3 4 7 9 11 12 11 4 1 3 3 4 2 2 1 1 0 1 2 3 4 4 3 3 2 0 0 1 2 3 5 4 5 5 1 !Region 8: Section 7->9 0 1 2 2 5 7 5 6 2 0 1 0 0 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 1 2 4 8 10 13 14 4 0 0 1 0 1 1 3 4 1 0 0 1 0 0 0 0 1 0 1 1 2 4 6 10 13 13 5 0 0 1 1 1 1 3 4 1 0 0 0 0 0 0 0 1 0 1 1 2 3 6 9 13 13 5 0 0 0 0 1 1 3 4 2 0 0 0 0 0 0 0 1 0 0 1 2 2 6 8 13 15 6 0 0 1 0 1 1 3 5 3 0 0 1 0 0 0 0 1 0 1 1 2 2 5 9 13 15 6 1 1 0 0 1 2 4 5 3 0 0 0 0 0 0 1 1 0 0 1 2 2 4 6 11 13 5 0 1 0 0 0 1 3 5 2 0 1 0 0 0 0 0 1 0 1 1 2 3 4 6 9 10 4 1 1 1 0 1 2 2 3 2 0 1 0 0 0 0 0 0 0 0 0 0 1 2 2 4 5 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 139.33 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.046 Region 9 Sum = 103752; Maximum = 1269.49; FM = 0.593 !Region 9: Section 1->3 1 1 0 0 0 0 0 0 0 4 7 5 2 1 0 0 0 0 9 21 19 13 5 2 1 0 0 2 3 2 1 0 0 0 0 0 9 19 13 6 2 1 1 0 0 20 46 44 29 13 5 2 1 0 3 5 3 1 0 0 0 0 0 12 25 21 11 4 1 1 0 0 23 57 60 41 19 6 2 1 0 3 6 4 2 1 0 0 0 0 14 31 29 18 6 1 1 0 0 27 69 75 54 25 8 2 1 0 3 6 5 2 1 0 0 0 0 12 30 34 24 10 2 1 0 0 25 68 83 63 29 8 2 1 0 2 5 4 3 1 0 0 0 0 10 26 32 25 13 3 1 0 0 20 57 74 60 31 9 2 1 0 2 3 4 3 1 0 0 0 0 7 19 25 22 13 4 1 0 0 14 42 56 47 27 8 2 1 0 1 2 3 2 1 0 0 0 0 5 13 17 16 11 3 1 0 0 10 27 36 32 21 6 1 0 0 0 1 1 1 1 0 0 0 0 2 5 6 7 5 1 0 0 0 4 11 12 12 9 2 1 0 0 !Region 9: Section 4->6 9 24 30 26 15 6 2 1 0 4 12 22 25 23 14 7 4 1 1 4 10 16 21 18 12 7 2 18 49 64 59 36 16 5 2 1 8 25 46 64 53 33 16 7 2 2 8 19 37 42 36 23 13 4 21 61 84 82 50 22 7 2 1 10 32 60 84 66 41 19 8 2 3 9 23 42 44 37 24 14 4 25 72 97 94 57 27 9 2 1 11 37 68 91 71 45 22 8 2 2 10 24 40 41 35 24 14 4 25 72100 94 56 25 9 2 1 10 37 67 84 65 41 20 8 2 2 9 21 35 35 30 21 11 3 18 60 86 80 48 21 7 2 1 7 30 55 68 52 32 16 6 2 1 6 15 26 26 23 16 9 3 13 42 60 56 34 14 5 1 0 4 19 36 46 35 20 11 4 1 1 3 9 17 17 14 10 6 2 9 24 34 34 20 8 3 1 0 3 9 19 25 18 11 6 3 1 0 1 5 9 9 8 6 4 1 4 9 11 11 7 2 1 0 0 1 3 5 8 6 4 2 1 0 0 0 1 3 3 3 2 1 0 !Region 9: Section 7->9 0 1 3 7 10 11 9 5 2 0 0 1 2 3 4 3 2 1 0 0 0 0 0 0 0 1 0 0 2 6 13 19 21 16 11 4 0 0 1 3 6 7 5 5 2 0 0 0 1 1 1 1 1 1 0 2 6 12 18 20 15 11 4 0 0 1 2 4 6 5 5 2 0 0 0 0 0 1 1 1 1 0 1 4 9 14 16 13 10 3 0 0 1 1 3 4 4 4 2 0 0 0 0 0 0 0 1 0 0 1 3 6 10 12 11 8 3 0 0 0 1 2 3 3 3 1 0 0 0 0 0 0 0 1 0 0 1 2 4 6 8 8 6 2 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 4 2 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (209 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) 209 0 209 4.3550 0.8639 20.392 126.339 Orientation ('UB') matrix: 0.1442562 0.0357233 -0.0038098 0.0302466 -0.0026664 0.0770401 0.0658808 -0.0769975 -0.0044355 A B C Alpha Beta Gamma Vol 6.2386 11.7754 13.0362 90.000 96.853 90.000 950.82 0.0004 0.0016 0.0008 0.000 0.004 0.000 0.22 Corrected for goodness of fit: 0.0016 0.0066 0.0032 0.000 0.014 0.000 0.90 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.088 96.135 24.231 Goniometer zeros (deg): 0.0000* 0.0190 0.0000* -0.0163 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1525 -0.5047 0.0690 -0.4789 -0.0742 0.8040 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.54474e+04 9.82435e+03 4.08 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 209 209 187 Average input ESD (pix, pix, deg): 0.19166 0.15320 0.06372 Goodness of fit: 3.08162 5.01777 3.71253 Average missing volume: 0.052 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:03 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.091 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 97.89% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 2_0003 8 -0.05 -0.23 -0.13 0.14 0.23 0.31 26874 55 0 0.37 23 0.78 0.78 2.27 1.000 3_0004 4 -0.14 -0.62 0.00 0.21 0.88 0.24 22141 47 25 0.37 29 0.78 0.78 2.27 1.000 4_0005 12 0.03 -0.52 0.02 0.22 0.66 0.29 63231 71 0 0.66 29 0.78 0.78 2.27 1.000 5_0006 4 0.06 -0.45 0.05 0.23 0.48 0.20 24710 62 0 0.61 25 0.78 0.78 2.27 1.000 6_0007 10 0.03 -0.27 -0.10 0.23 0.35 0.27 40676 58 0 0.66 26 0.78 0.78 2.27 1.000 7_0008 6 0.05 -0.31 -0.06 0.09 0.36 0.17 17919 44 0 0.56 30 0.78 0.78 2.27 1.000 8_0009 12 0.01 -0.40 -0.02 0.17 0.46 0.21 39832 71 0 0.63 27 0.78 0.78 2.27 1.000 9_0010 7 -0.08 -0.30 -0.30 0.37 0.34 0.56 46661 59 14 0.49 28 0.78 0.78 2.27 1.000 10_0011 11 -0.03 -0.49 -0.00 0.24 0.59 0.17 25447 51 0 0.67 26 0.78 0.78 2.27 1.000 11_0012 12 -0.01 -0.33 -0.10 0.17 0.36 0.21 35933 52 0 0.69 27 0.78 0.78 2.27 1.000 12_0013 12 0.07 -0.41 0.03 0.51 0.65 0.17 63609 67 8 0.64 28 0.78 0.78 2.27 1.000 13_0014 9 0.07 -0.42 -0.17 0.14 0.58 0.44 52042 73 0 0.71 29 0.78 0.78 2.27 1.000 14_0015 2 -0.04 -0.20 0.04 0.10 0.27 0.13 59544 98 0 0.69 30 0.78 0.78 2.27 1.000 15_0016 8 -0.02 -0.20 -0.03 0.13 0.31 0.19 54084 90 0 0.58 27 0.78 0.78 2.27 1.000 16_0017 13 0.05 -0.26 0.02 0.28 0.39 0.18 36032 60 0 0.58 27 0.78 0.78 2.27 1.000 17_0018 14 -0.05 -0.24 -0.06 0.17 0.31 0.26 26113 44 0 0.60 26 0.78 0.78 2.27 1.000 18_0019 11 0.01 -0.36 -0.06 0.21 0.54 0.17 29361 59 0 0.70 27 0.78 0.78 2.27 1.000 19_0020 10 -0.04 -0.27 0.04 0.14 0.34 0.20 50439 86 0 0.68 27 0.78 0.78 2.27 1.000 Background pixels updated = 97.27% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 9 -0.10 -0.29 0.06 0.17 0.42 0.08 19917 46 0 0.70 27 0.78 0.78 2.27 1.000 21_0022 5 -0.12 -0.10 0.14 0.21 0.28 0.24 171492 166 0 0.72 24 0.78 0.78 2.27 1.000 22_0023 8 -0.07 -0.27 0.06 0.22 0.30 0.18 7213.0 27 0 0.63 27 0.78 0.78 2.27 1.000 23_0024 9 0.01 -0.23 -0.01 0.31 0.27 0.28 15876 41 11 0.66 26 0.78 0.78 2.27 1.000 24_0025 10 -0.07 -0.13 -0.09 0.12 0.27 0.28 61583 90 0 0.76 28 0.78 0.78 2.27 1.000 25_0026 13 0.04 -0.20 -0.03 0.20 0.31 0.12 55613 71 0 0.71 28 0.78 0.78 2.27 1.000 26_0027 12 0.18 -0.26 -0.09 0.38 0.55 0.31 42401 77 0 0.69 27 0.78 0.78 2.27 1.000 I/Sigma = 42.69 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 1 Sum = 10551.2; Maximum = 112.417; FM = 0.398 !Region 1: Section 1->3 0 0 0 1 1 1 1 0 0 4 10 8 6 3 2 2 0 0 19 39 44 33 20 10 5 2 1 1 1 1 1 0 1 1 0 0 5 12 10 7 4 3 2 1 0 21 56 55 44 29 16 8 4 1 1 1 0 0 0 1 1 0 0 5 11 9 6 3 3 2 1 0 20 52 51 39 25 13 7 4 1 0 0 1 0 0 1 0 0 0 3 7 6 4 2 3 2 1 0 14 42 41 31 19 11 5 3 1 0 1 1 1 1 0 1 0 0 2 5 5 4 3 2 2 1 0 7 23 24 20 13 8 5 3 1 0 0 0 0 0 0 0 0 0 1 4 4 2 2 1 1 1 0 5 20 21 16 11 6 3 2 1 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 3 12 12 10 7 4 2 2 1 0 0 1 1 0 0 0 0 0 1 2 2 2 2 0 0 0 0 2 7 8 8 7 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 2 3 4 3 2 1 1 0 !Region 1: Section 4->6 22 49 81 75 59 39 22 10 3 9 25 55 71 74 63 41 26 8 1 6 12 24 34 38 34 40 14 28 86100 94 74 50 31 19 6 13 46 68 84 90 90 77 60 20 2 8 19 35 55 79 90 81 27 26 78 91 85 64 43 26 15 5 12 43 63 77 77 73 64 48 16 2 9 17 31 44 61 78 74 25 21 72 79 68 49 31 18 12 4 10 40 53 59 60 56 49 41 15 2 6 13 23 38 55 68 65 24 9 36 43 42 34 23 15 10 4 5 22 32 42 44 42 39 31 12 2 6 11 20 29 39 51 48 17 7 31 38 34 27 18 12 8 3 4 19 27 32 32 32 30 27 10 1 5 8 14 20 32 44 48 18 4 23 26 25 20 14 9 7 3 3 15 20 25 26 27 26 23 8 1 4 7 12 18 26 35 38 14 3 11 15 18 16 12 8 6 2 2 8 13 20 24 24 22 19 7 1 3 5 11 17 23 30 33 12 1 5 7 9 7 5 4 4 2 1 4 6 8 8 8 8 10 4 0 1 2 3 4 7 10 12 6 !Region 1: Section 7->9 0 1 1 2 4 8 13 28 10 0 1 1 0 1 1 2 6 2 0 1 0 0 0 0 0 0 0 1 2 4 7 15 28 42 45 15 1 1 1 2 2 4 6 8 3 0 1 0 0 1 1 0 0 0 1 2 3 6 11 23 41 48 17 1 1 1 1 2 4 7 10 4 0 0 0 0 0 1 0 0 0 1 2 3 6 12 24 38 42 17 0 0 1 2 3 5 7 9 4 0 0 0 1 1 1 1 1 0 1 2 3 5 9 16 29 32 11 1 1 1 1 2 3 6 7 3 1 0 0 1 1 1 1 0 0 1 2 2 3 7 15 28 36 14 1 1 1 1 2 3 6 9 4 0 0 0 0 1 1 1 1 0 1 1 2 3 6 11 20 27 12 0 1 1 1 2 2 5 7 4 0 1 1 0 1 1 1 1 1 0 1 2 2 6 10 18 25 9 0 0 0 0 2 2 4 7 3 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 6 8 7 0 1 0 0 1 1 1 3 4 0 0 0 0 0 0 0 0 0 I/Sigma = 266.01 Thresh = 0.020 Blend = F #Contributing = 64 InitialProfileWt = 0.041 Region 2 Sum = 320566; Maximum = 5835.03; FM = 0.917 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 0 0 0 1 4 7 10 8 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 5 2 0 0 0 1 5 9 15 16 8 2 0 0 0 0 0 1 0 0 0 0 0 1 2 4 7 10 7 2 0 0 1 5 12 22 28 19 5 1 0 0 0 0 1 1 0 0 0 0 0 1 4 8 13 13 4 0 0 1 4 12 24 34 32 11 1 0 0 0 0 1 0 0 0 0 0 0 2 4 8 14 14 7 1 0 1 5 12 23 34 33 15 2 0 0 0 0 0 0 0 0 0 0 0 1 3 7 10 10 6 1 0 1 4 10 19 25 24 13 2 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 3 0 0 0 2 6 12 14 13 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 4 5 4 1 0 0 !Region 2: Section 4->6 0 1 4 6 7 4 1 0 0 0 1 3 6 8 6 2 1 0 0 0 1 3 6 5 2 1 0 1 4 10 22 25 15 6 2 0 0 2 8 22 34 25 11 4 1 0 1 3 10 20 18 10 4 1 1 5 14 31 39 25 9 2 0 0 3 12 34 54 41 16 5 1 0 1 5 17 33 28 14 5 1 1 7 21 42 57 44 16 3 0 1 5 20 51 83 71 30 7 1 0 2 9 29 52 47 23 7 1 1 8 25 51 69 59 28 6 1 1 8 29 69100 88 48 13 1 0 3 15 42 61 55 32 10 2 1 8 27 51 61 54 30 7 0 1 9 37 76 86 78 51 15 1 0 4 22 48 55 49 33 11 1 1 7 25 46 48 40 23 4 0 1 8 36 69 72 61 38 9 1 0 4 20 42 46 40 25 7 1 0 3 12 28 33 25 9 1 0 0 3 16 42 54 41 15 3 1 0 2 9 24 34 27 11 3 1 0 1 3 8 10 6 2 0 0 0 1 3 12 15 10 3 1 0 0 0 2 7 10 7 2 1 0 !Region 2: Section 7->9 0 0 0 1 2 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 7 5 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 11 6 3 1 0 0 0 1 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 9 16 15 9 4 1 0 0 1 3 6 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 4 14 18 15 9 4 1 0 0 1 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 6 16 17 13 8 4 1 0 0 2 6 5 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 4 11 13 11 6 3 1 0 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 8 7 4 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 183.63 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.069 Region 3 Sum = 163969; Maximum = 2833.12; FM = 0.882 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 6 8 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 5 8 10 10 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 6 9 11 9 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 5 9 10 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 6 3 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 0 0 0 0 !Region 3: Section 4->6 0 1 1 3 5 5 3 1 0 0 1 2 6 10 12 9 3 0 0 0 1 4 8 12 9 3 1 0 1 4 9 15 13 8 3 0 0 1 5 16 32 32 22 9 1 0 1 3 11 26 30 22 10 2 0 3 9 18 26 23 13 4 1 0 3 13 35 57 52 32 12 2 0 2 8 27 49 48 32 14 3 1 7 18 31 39 32 17 5 1 1 8 30 63 85 72 42 15 2 0 5 22 55 76 67 42 17 3 2 13 26 40 46 36 18 5 1 2 19 48 82100 81 44 15 2 1 13 39 73 90 76 44 17 3 3 17 30 43 44 29 12 3 1 3 27 58 84 95 72 35 11 2 2 20 47 72 84 69 36 14 2 2 15 28 36 32 17 7 2 0 3 25 52 71 73 46 21 8 2 2 19 44 61 65 47 23 10 2 1 7 18 23 17 9 4 1 0 1 12 36 48 42 25 12 5 1 1 9 31 43 39 26 13 6 1 0 1 4 7 5 2 1 1 0 0 2 9 16 13 7 3 1 0 0 1 9 15 13 7 4 2 0 !Region 3: Section 7->9 0 0 0 1 2 4 3 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 11 9 6 2 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 8 17 19 14 7 2 0 0 0 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 7 20 29 27 18 9 2 0 0 1 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 3 14 29 34 29 18 8 2 0 1 3 5 6 5 3 2 0 0 0 0 0 0 0 0 0 0 0 5 16 25 29 25 14 6 1 0 1 2 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 5 13 19 22 17 9 4 1 0 1 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 9 14 13 10 6 3 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 5 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 28.10 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 4 Sum = 4938.43; Maximum = 101.927; FM = 0.287 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 4 5 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 1 1 0 1 1 0 0 1 2 4 7 7 6 3 1 0 1 1 0 0 0 0 0 1 0 1 1 1 2 0 1 1 1 0 1 3 5 7 5 5 2 2 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 1 3 3 5 4 4 3 2 0 0 0 1 1 1 0 1 1 0 0 1 0 1 2 1 1 1 0 1 3 3 4 4 4 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 4 4 4 3 2 1 0 0 -1 0 0 0 0 0 0 0 0 -1 1 0 0 0 1 1 0 1 2 4 4 3 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 3 3 4 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 2 1 1 0 0 !Region 4: Section 4->6 0 2 5 13 14 10 7 3 1 0 2 6 18 25 28 35 19 5 0 1 4 13 27 41 59 36 9 1 5 14 21 23 19 11 7 2 1 6 18 28 40 53 56 46 11 0 3 10 22 40 75100 86 22 2 8 15 18 17 15 9 7 2 2 8 16 22 29 41 48 43 11 1 4 9 16 29 58 90 85 22 1 7 11 14 12 11 9 6 1 1 7 12 17 22 30 37 37 9 1 3 6 12 23 41 66 76 20 2 7 10 12 11 10 8 5 1 1 7 11 14 17 23 28 29 8 1 3 5 9 17 31 48 59 16 2 7 11 11 10 8 7 5 1 1 7 10 13 15 18 23 25 7 1 4 5 8 15 24 38 50 14 1 6 11 12 9 8 6 4 1 1 5 10 13 15 17 19 20 5 0 1 4 7 14 20 31 39 10 1 7 9 10 11 8 5 3 1 1 6 8 10 14 15 17 15 4 0 1 3 6 11 17 27 26 6 1 3 4 6 6 4 3 1 0 1 2 4 6 8 7 8 3 0 0 1 1 3 5 7 11 5 1 !Region 4: Section 7->9 0 0 1 5 12 21 29 21 5 0 0 0 1 1 1 1 2 1 0 0 0 1 0 0 0 0 0 0 1 3 9 17 36 53 49 14 0 0 1 1 2 2 4 5 2 0 0 0 1 2 1 1 1 0 0 1 3 7 13 28 49 49 15 0 0 1 1 1 1 3 5 2 0 0 0 0 1 0 1 1 0 0 1 2 5 10 20 36 45 13 0 -1 0 0 2 2 2 4 2 0 0 0 0 1 1 0 1 0 0 1 2 3 7 15 26 35 11 0 0 1 -1 0 2 2 4 2 0 0 0 -1 0 1 0 1 0 0 2 2 3 7 12 21 30 9 0 0 0 1 1 2 3 3 2 0 0 0 0 0 1 1 1 0 0 0 1 3 6 10 16 22 6 0 0 -1 1 2 1 1 1 1 0 0 -1 0 1 0 0 0 0 0 1 1 3 5 8 14 15 4 0 1 0 2 2 1 1 2 0 0 1 0 1 1 1 1 1 0 0 0 1 2 2 3 5 3 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 13.36 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 5 Sum = 1197.54; Maximum = 19.9999; FM = 0.337 !Region 5: Section 1->3 0 0 1 1 2 0 -1 -1 0 0 1 0 2 3 0 0 -1 -1 0 0 0 4 4 2 1 0 0 0 1 0 2 4 0 -1 -3 -1 1 4 1 6 4 2 0 -1 0 1 6 5 13 5 7 3 2 0 0 2 0 3 5 2 1 -2 0 1 4 1 4 4 6 4 0 0 2 7 5 8 2 9 6 3 1 1 4 1 -1 0 1 2 3 0 0 3 1 0 0 4 5 3 0 0 3 4 3 1 3 8 2 0 1 0 -1 -2 -1 0 2 2 0 1 1 -2 -2 -2 1 5 5 0 0 1 0 0 -2 0 5 5 0 1 -1 -4 -3 -1 0 -1 -1 -1 1 1 -2 -1 -1 1 1 2 0 1 4 1 1 1 2 0 2 0 0 0 -1 2 3 0 -1 0 0 1 0 0 4 6 1 1 1 0 0 1 2 6 6 3 1 1 0 1 -1 2 -1 -1 1 0 1 0 1 2 4 3 1 2 -1 1 0 1 4 3 5 3 3 0 1 1 0 0 0 -1 -1 1 0 0 0 0 1 0 -1 0 3 0 0 0 1 2 0 1 1 3 0 0 0 !Region 5: Section 4->6 0 8 9 22 21 18 11 15 4 1 14 16 44 52 61 39 45 8 0 6 11 32 45 71 46 51 6 3 20 26 33 24 25 22 20 4 4 28 37 50 59 76 81 73 23 1 12 18 32 54 87100 92 32 4 17 21 24 15 17 15 16 4 4 20 28 34 43 54 60 62 19 2 7 12 20 40 65 79 81 26 1 7 16 19 15 10 14 13 3 1 9 23 32 37 41 49 53 15 0 5 14 20 32 52 65 67 19 1 6 12 14 9 6 9 11 2 2 11 19 26 26 28 38 36 8 1 8 10 17 25 36 52 46 12 1 7 12 10 11 8 8 10 2 1 10 18 18 27 29 34 32 7 0 7 8 12 26 35 41 40 11 1 6 9 12 14 10 8 7 1 2 9 12 16 31 28 31 26 6 1 5 4 9 25 30 37 32 9 1 6 7 9 12 9 9 6 1 2 8 11 13 20 22 29 20 4 2 6 5 7 13 21 31 24 6 0 3 4 3 7 4 5 1 0 1 6 9 4 13 8 12 7 1 2 8 5 2 7 7 10 9 1 !Region 5: Section 7->9 0 1 1 8 12 25 16 17 2 0 0 -1 0 2 4 2 0 0 0 0 0 0 0 1 1 0 0 -1 1 6 11 15 29 34 33 12 -1 0 4 5 2 2 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 5 12 26 27 27 10 0 -2 0 1 2 4 0 0 1 0 0 0 -1 0 0 0 1 0 1 0 4 5 11 26 28 23 6 0 -1 0 1 2 8 8 0 0 0 0 0 0 0 1 3 0 0 0 3 3 6 9 15 23 20 7 -1 1 0 2 2 4 6 3 2 0 0 -1 0 0 1 2 0 0 0 3 1 3 7 12 16 18 8 0 3 1 1 0 2 2 4 3 0 2 0 0 0 1 1 1 0 0 3 2 2 6 9 15 11 4 1 6 5 1 1 -1 4 1 0 1 5 2 0 1 -1 2 1 0 1 5 2 0 1 8 11 6 2 1 7 4 -1 -1 3 2 -2 0 1 3 2 0 0 0 1 0 0 1 3 1 -1 1 2 2 3 1 0 3 2 -2 -1 0 0 0 0 0 2 2 -1 -1 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.02085; Maximum = 0.0131111; FM = 0.375 !Region 6: Section 1->3 0 1 1 1 1 0 0 0 0 1 6 9 7 5 1 0 0 0 5 20 33 25 16 9 5 1 0 0 1 0 2 2 0 -1 -2 0 2 13 13 12 7 2 1 0 0 11 48 48 41 25 15 9 4 0 0 1 0 2 3 1 0 -1 0 2 10 9 7 5 4 2 1 0 8 37 35 27 14 12 7 4 1 0 1 0 0 0 0 1 2 0 1 6 5 3 2 3 3 2 0 5 22 22 16 10 7 7 3 0 1 0 -1 -1 0 0 1 2 0 1 4 1 2 0 1 3 4 0 3 13 12 10 6 4 7 5 0 1 0 -3 -2 0 0 0 0 0 1 3 0 1 1 1 1 2 0 2 9 9 8 6 3 3 4 0 0 0 -2 0 2 0 -1 0 0 1 1 0 3 4 1 1 1 0 1 5 6 7 6 4 3 2 0 1 0 1 0 -1 0 0 1 0 1 2 3 3 1 1 0 1 0 2 5 5 7 4 3 2 2 1 0 0 0 -1 -1 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 1 2 2 2 1 0 0 !Region 6: Section 4->6 8 32 46 42 36 28 17 10 2 4 19 27 44 54 61 46 34 6 1 5 9 27 42 62 53 44 6 17 69 68 63 50 40 31 18 4 9 40 44 59 72 86 83 65 18 2 12 17 35 59 90100 90 28 13 50 50 47 34 27 20 15 3 7 29 34 48 55 62 63 59 17 2 10 14 29 45 68 81 83 25 8 30 36 34 27 19 15 12 3 4 17 28 40 45 48 48 49 13 1 7 15 25 38 55 66 69 19 4 19 24 24 18 14 13 11 2 3 14 23 31 33 36 40 36 9 2 8 13 22 29 43 54 52 15 2 14 18 19 15 11 10 10 2 1 11 18 25 29 33 34 32 8 0 6 9 18 27 39 46 44 13 1 10 14 16 15 11 9 8 2 2 10 14 22 30 30 30 26 7 1 6 7 16 27 33 40 38 12 2 7 10 12 13 9 10 7 2 2 7 12 17 23 23 28 22 5 1 6 6 12 19 25 35 30 9 0 2 4 5 7 4 5 2 1 1 4 8 7 12 9 13 10 2 1 5 5 6 9 10 15 16 4 !Region 6: Section 7->9 0 2 2 7 11 21 20 18 3 0 1 0 1 1 3 3 1 0 0 0 0 0 0 1 1 0 0 0 4 6 12 16 29 37 37 12 0 1 3 5 1 1 3 2 1 0 0 0 1 0 0 1 1 0 1 2 2 8 14 24 31 34 11 0 -1 0 2 2 2 2 2 1 0 -1 0 1 2 0 1 1 0 1 1 5 7 12 24 30 30 8 0 -1 1 2 2 6 7 3 1 0 0 0 0 0 0 2 1 0 1 3 4 7 9 17 25 26 8 0 1 1 2 2 3 7 5 2 0 0 0 0 1 1 2 1 0 0 3 2 5 8 15 20 22 9 0 3 1 1 1 2 4 4 3 0 2 0 1 0 1 1 1 0 1 4 2 5 7 12 19 18 7 1 5 3 1 1 1 5 2 1 1 4 2 0 1 0 2 0 0 1 4 2 3 5 11 15 13 4 1 5 2 0 1 4 3 0 1 1 3 1 0 0 1 1 0 0 0 2 2 1 2 4 5 7 2 0 2 1 0 1 1 1 0 1 0 1 1 0 0 1 0 0 0 I/Sigma = 23.38 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 3275.15; Maximum = 47.1895; FM = 0.349 !Region 7: Section 1->3 0 1 1 0 0 0 0 0 0 1 8 16 11 6 3 1 0 0 7 33 58 39 23 14 7 1 0 0 1 1 1 0 -1 -1 0 0 3 20 23 17 9 2 1 1 0 17 79 81 59 38 19 13 5 1 0 -1 0 0 1 -1 -2 0 0 2 14 16 9 4 1 -1 1 0 11 55 55 36 20 11 7 4 1 0 -1 -1 0 0 0 -1 1 0 1 7 7 5 3 1 0 1 0 6 32 31 23 15 9 4 2 0 0 -1 -1 1 1 0 0 0 0 1 5 4 4 3 0 1 2 0 4 21 18 16 11 6 6 4 0 1 1 -1 -1 1 1 0 1 0 1 3 2 2 2 1 1 2 0 1 10 12 12 8 3 4 4 1 0 0 -2 -1 0 0 0 0 0 0 1 -1 0 1 0 1 1 0 1 7 6 6 5 3 4 3 1 0 0 -1 0 -1 0 0 0 0 0 1 0 2 -1 0 1 0 0 1 4 5 6 3 2 4 2 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 3 1 0 1 1 0 !Region 7: Section 4->6 11 45 66 44 36 29 19 2 0 5 18 24 23 34 41 39 11 1 1 2 4 14 26 37 48 23 3 25100 87 71 59 43 31 11 1 11 40 32 44 60 69 59 36 7 2 8 10 27 47 65 69 60 14 16 66 58 50 37 27 18 10 1 7 28 23 41 45 50 45 38 9 2 10 11 29 37 50 57 60 16 9 36 37 34 26 20 11 8 2 4 15 19 32 36 38 32 31 7 2 7 11 24 32 40 43 50 12 6 23 24 23 19 16 13 7 1 3 10 17 25 27 33 29 25 7 1 6 12 22 24 37 39 42 12 2 13 15 18 13 9 9 8 1 1 6 11 23 21 26 25 22 6 0 3 8 19 21 33 36 34 10 1 9 12 12 10 9 8 7 1 1 6 11 21 20 23 20 19 5 1 5 8 19 22 28 30 32 10 1 4 9 10 9 5 8 6 1 1 3 9 16 19 16 19 17 4 1 3 6 15 20 23 29 27 8 0 0 3 5 4 2 3 2 1 0 1 5 8 9 8 10 11 3 0 2 5 8 9 11 16 20 4 !Region 7: Section 7->9 1 3 2 5 8 11 19 10 1 0 2 1 1 0 2 2 1 0 0 0 0 0 -1 1 1 1 0 2 5 4 10 13 19 26 27 8 1 1 0 3 -1 -1 3 2 1 0 -1 0 2 0 0 1 0 0 1 4 4 8 11 15 22 27 8 0 -1 1 2 3 0 2 2 0 0 -2 0 2 4 -1 2 1 0 1 2 5 7 10 14 20 25 6 0 -1 1 1 2 1 4 4 0 0 0 1 0 1 0 1 2 0 1 3 5 7 7 14 20 22 6 1 1 1 2 2 2 5 5 1 0 1 1 0 2 0 2 2 0 0 2 3 6 7 13 17 17 6 0 3 1 2 2 2 4 3 1 0 2 0 1 0 1 2 1 0 1 4 2 6 7 12 16 17 6 1 3 1 1 0 2 4 1 0 0 2 0 1 1 1 2 -1 0 0 2 1 5 7 10 14 14 4 0 2 0 2 3 5 3 1 0 1 2 0 1 1 1 1 0 0 0 1 3 3 4 5 7 10 2 0 1 0 1 3 3 1 0 0 0 1 1 1 2 2 0 0 0 I/Sigma = 56.57 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.263 Region 8 Sum = 17244.2; Maximum = 244.451; FM = 0.399 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 4 2 1 1 1 0 0 5 15 19 13 9 3 2 0 0 1 1 1 1 0 1 0 0 0 4 8 7 5 2 2 1 1 0 16 44 45 31 19 6 3 2 0 1 1 0 1 0 1 0 1 0 4 9 6 4 2 2 1 1 0 19 53 47 29 15 5 3 2 0 1 1 0 0 0 0 0 0 0 3 8 5 2 2 1 1 1 0 18 50 44 23 12 4 2 2 1 0 1 0 0 0 1 0 0 0 2 6 3 2 1 1 1 1 0 17 45 35 17 8 3 1 1 1 0 0 0 0 0 0 0 0 0 1 4 2 1 1 1 0 0 0 12 35 24 11 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 1 0 0 0 7 23 16 7 4 2 1 0 0 0 1 0 0 0 0 0 0 0 1 2 1 0 0 1 1 1 0 4 14 10 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 3 1 1 1 1 0 0 !Region 8: Section 4->6 9 30 39 34 26 11 7 2 0 5 21 32 37 36 24 16 5 1 1 5 10 18 25 25 16 8 2 24 80 94 72 57 24 13 6 1 13 52 73 77 79 53 34 19 4 2 10 21 41 58 52 37 24 7 33 98100 69 46 20 11 6 1 19 63 77 71 64 43 30 19 5 3 11 21 37 48 43 34 25 9 31 98 95 55 36 14 8 4 1 19 65 70 55 49 31 23 16 5 3 11 17 28 36 34 28 24 8 33 91 78 41 25 10 6 3 1 20 60 57 41 35 24 18 14 4 3 10 14 21 27 28 25 21 8 25 76 54 29 17 8 4 3 1 16 50 41 31 26 20 16 12 4 2 8 10 16 21 23 22 19 7 16 48 37 19 13 6 3 2 0 11 32 29 22 20 15 13 10 4 2 5 8 12 17 19 19 17 7 10 30 21 12 8 4 3 2 1 6 21 17 15 15 12 11 9 3 1 4 6 9 14 17 17 16 6 2 9 6 4 3 2 2 1 0 1 6 6 5 6 6 6 4 1 0 1 2 4 6 8 8 7 3 !Region 8: Section 7->9 0 1 1 4 7 9 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 10 18 18 14 11 4 1 1 0 0 0 1 1 2 1 1 1 0 0 0 1 0 1 0 1 1 4 10 16 15 13 12 5 1 1 1 0 0 1 1 2 2 0 0 1 0 0 0 0 1 1 1 2 3 8 12 13 11 12 5 0 1 1 1 1 1 1 2 2 0 0 1 0 0 0 0 0 0 1 2 3 6 10 11 11 12 5 0 1 0 1 1 1 1 3 2 0 0 0 0 1 0 0 1 1 1 2 2 5 7 10 10 11 5 1 1 0 0 1 1 1 3 2 0 0 0 0 0 0 0 1 1 0 1 2 4 6 9 9 11 5 0 1 0 0 0 1 1 3 2 0 0 0 0 0 0 0 1 1 0 1 2 3 6 8 9 10 5 0 1 1 0 0 1 2 3 2 0 1 0 0 0 0 0 1 1 0 0 1 1 2 3 4 5 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 144.93 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.061 Region 9 Sum = 101589; Maximum = 1263.02; FM = 0.809 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 4 8 8 6 3 1 1 0 0 0 1 1 0 0 0 0 0 0 3 6 4 2 1 1 0 0 0 9 18 19 14 7 3 1 1 0 1 1 1 0 0 0 0 0 0 3 7 7 4 2 1 0 0 0 10 22 26 22 12 5 2 1 0 1 2 2 1 0 0 0 0 0 4 10 11 8 3 1 0 0 0 11 27 36 32 19 7 2 1 0 1 3 3 1 0 0 0 0 0 5 13 15 11 6 2 1 0 0 12 32 44 42 27 11 3 1 0 1 4 3 1 1 0 0 0 0 4 14 16 14 9 3 1 0 0 11 31 45 49 34 14 4 1 0 1 3 2 1 1 0 0 0 0 4 12 14 14 12 5 1 0 0 10 27 40 45 38 17 5 1 0 1 2 2 1 1 0 0 0 0 3 9 11 12 11 5 1 0 0 7 20 31 36 33 17 5 1 0 0 1 1 1 0 0 0 0 0 1 3 5 5 4 3 1 0 0 3 7 12 13 12 8 2 0 0 !Region 9: Section 4->6 4 11 14 12 9 5 2 1 0 2 6 10 13 13 10 5 2 0 0 1 4 9 13 13 9 5 1 10 24 33 34 24 13 5 2 0 4 14 24 36 37 26 13 5 2 1 3 8 20 31 30 22 13 4 12 28 43 50 41 22 8 2 0 5 16 32 53 61 42 19 7 2 1 4 11 28 43 40 28 16 5 13 34 55 70 60 34 12 3 1 5 19 41 75 86 60 28 9 2 1 4 14 37 55 49 33 19 6 14 39 66 87 74 43 17 4 1 6 22 50 92100 73 36 11 3 1 5 18 43 58 52 36 20 7 13 40 71 93 77 46 18 4 1 6 23 57 94 95 72 36 12 3 1 5 19 41 52 48 34 20 6 11 35 63 82 72 44 16 4 0 5 21 50 81 82 61 29 9 2 1 4 15 32 41 37 26 15 4 8 26 47 62 56 34 12 2 0 4 16 35 58 60 42 18 6 1 1 3 9 21 27 24 16 10 3 3 10 16 18 21 13 4 1 0 2 7 11 16 22 13 5 2 1 0 1 3 6 9 7 5 3 1 !Region 9: Section 7->9 0 0 1 3 6 8 7 6 1 0 0 0 1 2 3 3 3 1 0 0 0 0 0 1 1 1 0 0 1 3 8 15 19 19 14 5 0 0 1 2 4 7 8 7 4 0 0 0 0 1 2 2 2 1 0 1 3 10 18 24 23 17 6 0 0 1 2 5 9 10 9 4 0 0 0 0 1 2 2 2 1 0 1 4 11 20 25 24 19 7 0 0 1 2 6 9 10 9 4 0 0 0 0 1 1 1 2 1 0 1 4 10 18 23 23 19 7 0 0 1 2 4 8 9 8 4 0 0 0 0 0 1 1 1 1 0 1 3 8 14 18 20 17 6 0 0 0 1 3 5 7 6 3 0 0 0 0 0 0 1 1 1 0 1 2 5 9 12 14 12 4 0 0 0 1 2 3 5 5 2 0 0 0 0 0 0 0 1 0 0 0 1 2 5 7 9 8 3 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (209 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) 209 0 209 4.3545 0.8638 20.395 126.363 Orientation ('UB') matrix: 0.1443646 0.0356055 -0.0036604 0.0298394 -0.0027222 0.0770497 0.0656419 -0.0770689 -0.0044126 A B C Alpha Beta Gamma Vol 6.2411 11.7730 13.0351 90.000 96.822 90.000 951.00 0.0003 0.0017 0.0007 0.000 0.003 0.000 0.21 Corrected for goodness of fit: 0.0012 0.0057 0.0024 0.000 0.011 0.000 0.72 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.953 96.095 24.148 Goniometer zeros (deg): 0.0000* 0.0338 0.0000* -0.0156 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1992 -0.7339 0.0657 -0.4637 -0.0962 0.8732 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.22989e+04 6.79753e+03 3.41 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 209 209 181 Average input ESD (pix, pix, deg): 0.18480 0.14355 0.06264 Goodness of fit: 2.98994 4.29672 2.43206 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:04 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.091 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 97.64% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 3.89 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.00 0.00 3.89 1.000 2_0003 8 -0.12 -0.16 -0.02 0.22 0.19 0.47 30125 62 0 0.43 22 2.77 2.58 3.89 1.000 3_0004 2 -0.03 -0.45 -0.05 0.07 0.52 0.15 39109 71 0 0.73 32 2.91 2.88 3.63 1.000 4_0005 12 0.02 -0.32 -0.04 0.12 0.44 0.13 64940 76 0 0.68 29 2.57 3.05 3.45 1.000 5_0006 5 0.03 -0.27 -0.03 0.10 0.29 0.18 25944 64 0 0.69 25 2.55 3.07 3.38 1.000 6_0007 9 -0.06 -0.17 -0.03 0.28 0.21 0.23 44421 64 0 0.65 26 2.60 3.05 3.30 1.000 7_0008 8 0.02 -0.29 -0.06 0.09 0.31 0.12 7543.1 28 0 0.54 29 2.51 2.96 3.19 1.000 8_0009 11 -0.02 -0.17 0.04 0.07 0.23 0.15 52311 92 0 0.71 27 2.52 3.00 3.15 1.000 9_0010 7 -0.12 -0.15 0.04 0.45 0.36 0.18 46462 61 14 0.56 27 2.52 2.99 3.22 1.000 10_0011 13 -0.04 -0.31 -0.02 0.17 0.41 0.12 48708 68 0 0.72 27 2.52 3.01 3.14 1.000 11_0012 11 -0.02 -0.31 0.01 0.18 0.46 0.26 12037 40 0 0.75 27 2.52 2.96 3.00 1.000 12_0013 10 0.06 -0.22 0.01 0.67 0.41 0.13 72891 74 10 0.55 27 2.53 3.00 2.94 1.000 13_0014 10 0.04 -0.26 -0.07 0.11 0.33 0.30 54502 77 0 0.74 28 2.55 3.07 3.07 1.000 14_0015 2 -0.00 -0.01 0.13 0.07 0.06 0.16 59116 98 0 0.71 30 2.54 3.07 3.04 1.000 15_0016 7 -0.04 -0.09 0.01 0.09 0.18 0.08 57841 98 0 0.60 28 2.55 3.07 3.00 1.000 16_0017 15 -0.06 -0.17 0.04 0.29 0.29 0.09 37299 64 0 0.64 26 2.58 3.10 3.05 1.000 17_0018 11 -0.06 -0.12 -0.08 0.15 0.18 0.24 8666.5 32 0 0.66 26 2.56 3.07 3.11 1.000 18_0019 12 0.01 -0.19 -0.01 0.14 0.34 0.10 49853 75 0 0.75 28 2.56 3.10 3.13 1.000 19_0020 11 0.01 -0.15 0.09 0.10 0.22 0.34 46736 81 0 0.70 26 2.57 3.09 3.16 1.000 Background pixels updated = 97.21% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 9 -0.10 -0.19 0.06 0.16 0.31 0.07 21225 49 0 0.76 29 2.56 3.09 3.19 1.000 21_0022 5 -0.11 -0.04 0.22 0.19 0.20 0.38 174698 169 0 0.74 25 2.56 3.08 3.23 1.000 22_0023 7 -0.05 -0.15 0.05 0.26 0.15 0.16 8599.4 29 0 0.63 27 2.55 3.07 3.21 1.000 23_0024 10 -0.03 -0.17 0.03 0.23 0.23 0.24 16143 44 10 0.67 27 2.55 3.08 3.20 1.000 24_0025 10 -0.09 -0.08 -0.07 0.14 0.20 0.23 62589 92 0 0.77 28 2.54 3.07 3.14 1.000 25_0026 14 0.08 -0.13 -0.09 0.18 0.24 0.23 53294 69 0 0.75 27 2.53 3.07 3.15 1.000 I/Sigma = 47.80 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.053 Region 1 Sum = 13620.5; Maximum = 140.593; FM = 0.528 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 3 6 5 4 2 1 1 1 0 10 32 29 23 12 6 3 1 0 1 1 1 1 0 0 1 0 0 6 11 9 7 3 2 1 1 1 18 45 42 33 21 11 5 3 1 0 0 1 1 1 1 1 0 0 4 11 9 7 4 3 2 1 0 15 50 44 34 22 11 6 3 1 0 0 0 0 1 1 0 0 0 4 8 7 5 3 2 2 0 0 15 39 37 28 18 10 5 2 1 0 0 0 0 0 1 0 0 0 3 7 6 4 2 2 1 1 0 11 29 26 20 13 7 4 2 1 0 0 0 0 0 1 0 0 0 2 4 4 3 2 2 1 1 1 7 20 18 15 10 6 4 2 1 0 0 0 0 0 0 0 0 0 1 3 3 3 1 1 1 0 0 6 14 14 11 7 4 3 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 3 9 9 8 5 3 2 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 3 3 2 2 2 1 1 0 !Region 1: Section 4->6 13 45 49 53 44 25 14 9 3 7 25 37 52 59 49 39 31 11 2 6 11 19 29 38 45 41 16 24 67 77 78 68 48 30 18 6 14 41 63 88100 93 76 57 20 3 10 21 39 57 72 80 72 26 22 72 79 79 68 46 29 18 6 13 41 64 86 98 90 75 58 21 3 10 22 38 57 72 82 77 31 24 65 77 72 57 39 25 16 5 15 43 66 78 82 78 68 52 18 3 10 20 33 48 67 76 68 26 18 45 49 49 41 28 18 12 3 12 30 44 60 67 62 54 41 14 3 8 17 30 44 56 65 56 21 12 32 39 39 31 21 13 9 3 8 23 36 47 48 42 37 32 12 2 7 13 23 30 38 48 49 22 11 25 31 28 21 14 10 7 2 8 19 28 33 34 32 29 25 9 2 5 10 16 23 30 37 36 16 6 14 18 18 16 12 9 7 2 5 11 17 23 27 27 25 21 7 2 4 7 13 19 25 31 31 12 2 6 8 8 8 7 5 3 1 2 5 9 12 14 13 10 10 5 1 2 4 6 8 9 10 14 10 !Region 1: Section 7->9 0 1 2 2 6 11 19 20 8 0 1 1 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 1 1 3 5 10 20 33 35 13 0 0 1 1 1 2 3 4 2 0 0 0 0 0 0 0 0 0 1 2 3 5 11 22 35 40 17 0 1 1 1 1 3 4 5 2 0 1 0 0 1 1 0 0 0 1 2 3 5 11 22 34 35 15 0 0 1 1 2 2 4 6 3 0 0 0 0 0 0 0 0 0 1 2 3 6 10 19 30 30 12 1 1 1 1 1 2 4 4 2 0 1 1 0 0 0 1 0 0 1 1 2 5 8 14 24 30 15 0 1 1 1 1 2 4 5 4 0 0 0 0 1 1 1 0 1 1 1 2 4 6 11 18 22 11 1 0 0 1 2 2 3 4 3 0 0 0 0 1 1 1 0 0 0 1 2 3 5 10 16 20 10 0 0 0 1 1 2 3 5 4 0 0 0 0 0 1 1 1 1 0 1 1 1 2 3 5 10 9 0 0 0 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 I/Sigma = 246.65 Thresh = 0.020 Blend = F #Contributing = 60 InitialProfileWt = 0.046 Region 2 Sum = 314331; Maximum = 5373.22; FM = 0.924 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 3 6 11 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 3 1 0 0 1 4 11 19 20 11 3 0 0 0 0 0 1 0 0 0 0 0 0 1 3 7 12 9 2 0 0 1 4 12 24 33 25 6 1 0 0 0 1 1 1 0 0 0 0 0 1 4 8 15 14 5 0 0 1 5 13 27 42 36 12 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 13 13 7 1 0 1 5 14 27 38 35 16 2 0 0 0 0 0 0 0 0 0 0 0 1 3 6 9 9 5 1 0 1 4 11 20 25 24 12 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 2 0 0 1 2 6 13 15 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 1 4 6 3 1 0 0 !Region 2: Section 4->6 1 2 5 8 8 5 2 0 0 0 1 4 8 10 7 3 1 0 0 0 1 3 5 4 2 1 0 1 3 11 22 25 14 4 1 0 0 2 8 22 33 22 8 2 0 0 1 3 10 20 16 8 3 1 1 6 19 37 45 28 8 2 0 1 4 15 37 65 47 15 4 1 0 1 5 18 40 32 12 4 1 1 7 22 46 65 49 17 3 0 1 5 20 58 97 77 32 7 1 0 2 9 35 63 51 24 6 1 1 8 27 55 71 60 28 6 0 1 7 31 78100 90 52 13 1 0 3 18 51 66 59 37 11 1 2 9 33 58 64 56 32 6 0 1 9 47 85 89 85 57 14 1 0 4 28 55 60 56 39 11 1 1 7 25 45 48 41 20 3 0 1 7 35 68 76 66 33 7 1 0 3 20 44 52 45 24 6 1 1 4 12 28 34 23 7 1 0 1 4 15 42 58 38 11 2 0 0 2 8 26 39 27 9 3 1 0 1 2 8 14 7 1 0 0 0 1 3 11 24 12 3 1 0 0 0 2 7 16 9 3 1 0 !Region 2: Section 7->9 0 0 0 1 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 1 3 7 7 4 2 1 0 0 0 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 11 5 2 1 0 0 1 2 5 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 3 11 17 14 8 3 1 0 0 1 5 7 6 3 1 0 0 0 0 0 1 1 0 0 0 0 1 6 16 19 15 9 4 1 0 0 2 7 7 5 3 1 0 0 0 0 1 1 1 0 0 0 0 1 7 17 18 13 8 4 1 0 0 3 7 6 5 3 1 0 0 0 0 0 1 0 0 0 0 0 1 4 11 14 11 6 3 1 0 0 1 4 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 9 7 4 2 1 0 0 0 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 208.34 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.079 Region 3 Sum = 159408; Maximum = 3041.31; FM = 0.912 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 3 5 5 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 3 6 9 10 8 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 0 1 5 9 13 13 11 5 1 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 2 1 0 0 1 7 11 15 15 10 4 1 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 1 0 0 0 2 7 12 15 13 6 2 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 1 0 0 0 1 6 9 11 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 3: Section 4->6 0 1 2 4 6 7 3 1 0 0 1 3 7 9 15 7 2 0 0 1 1 4 6 11 5 1 0 0 2 6 14 21 20 10 3 0 0 2 7 21 39 37 21 7 1 0 1 4 13 27 29 18 7 1 1 4 12 26 38 33 16 5 1 1 4 15 43 70 60 31 11 2 0 2 8 27 49 45 26 10 2 1 9 21 40 51 43 21 5 1 1 8 30 70 94 81 41 13 2 0 4 17 49 68 61 33 12 2 2 14 31 47 54 43 21 5 1 2 16 46 81100 86 44 12 2 1 8 28 57 72 64 34 11 2 3 16 32 47 48 32 13 3 1 2 20 52 79 90 69 32 9 1 1 11 33 55 65 53 26 8 2 2 12 25 35 33 18 7 2 0 2 16 41 64 66 43 18 6 1 1 10 28 45 48 34 16 5 1 1 6 15 20 17 9 3 1 0 1 8 26 41 38 22 9 4 1 1 6 18 31 29 19 9 3 1 0 1 4 6 6 4 1 1 0 0 2 6 12 14 11 3 2 0 0 1 4 9 10 9 3 1 0 !Region 3: Section 7->9 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 8 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 12 13 9 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 13 19 17 11 5 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 15 19 16 10 4 1 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 13 14 12 7 3 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 10 10 8 4 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 6 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 28.78 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.449 Region 4 Sum = 5165.83; Maximum = 65.858; FM = 0.543 !Region 4: Section 1->3 0 0 0 0 1 0 0 0 0 0 0 1 0 2 1 0 0 0 0 2 7 9 7 4 2 1 0 0 0 0 0 1 0 0 1 0 0 1 2 2 2 0 1 2 1 1 9 14 16 13 7 5 4 2 0 0 0 -1 0 0 1 0 0 1 2 2 1 1 1 1 1 1 2 9 12 13 10 7 5 3 2 0 1 0 0 0 0 0 1 0 0 1 2 2 1 0 0 1 0 1 7 10 11 9 5 3 2 1 0 1 2 0 0 0 1 0 0 1 2 4 2 1 1 1 0 0 1 7 11 10 7 5 4 1 1 0 0 1 1 0 0 0 1 1 0 0 2 2 1 0 1 1 1 1 5 8 7 6 5 3 2 1 0 1 1 2 1 1 0 2 1 0 0 2 3 2 0 0 2 1 1 4 5 7 6 3 3 1 0 0 0 1 1 1 0 1 1 0 0 1 2 2 1 0 1 1 0 1 5 6 5 4 3 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 2 3 2 2 3 2 0 0 !Region 4: Section 4->6 0 4 20 27 22 15 8 4 1 0 5 24 39 43 37 26 16 5 0 3 12 28 39 36 31 20 6 3 27 39 47 44 33 19 13 4 4 27 45 74 90 87 59 43 13 2 11 22 52 78 87 66 55 18 4 23 34 40 38 33 24 15 4 4 24 40 63 83 96 75 57 17 2 10 20 45 73 99 85 70 23 3 18 26 32 33 30 23 15 4 3 18 30 50 71 95 81 59 18 1 8 17 36 63100 93 73 25 3 16 22 25 25 25 18 12 4 3 14 23 36 54 76 72 55 17 1 6 12 25 47 81 88 72 24 2 12 18 19 20 20 14 10 3 2 11 18 29 40 55 56 46 15 1 5 9 21 35 57 70 62 20 2 10 12 17 16 15 12 8 3 2 10 14 24 31 42 44 41 14 1 5 8 17 27 44 54 54 19 2 10 12 13 12 12 11 7 2 2 9 12 20 24 32 38 30 8 1 5 7 14 21 33 47 40 11 1 5 8 6 6 7 5 1 0 1 4 8 9 10 16 14 5 0 0 2 4 6 9 16 17 7 0 !Region 4: Section 7->9 0 1 2 7 11 12 14 12 4 0 0 0 1 1 2 4 5 1 0 0 0 1 1 1 1 1 0 1 2 5 12 22 28 27 29 11 0 0 1 1 2 3 5 9 4 0 -1 0 1 1 1 1 1 0 1 2 4 11 20 31 32 31 12 0 0 1 2 1 2 4 6 3 0 0 0 1 0 0 1 1 0 1 2 4 9 17 31 33 31 12 0 0 1 2 2 2 4 4 3 0 0 0 1 1 0 1 0 0 1 2 4 7 13 25 32 31 13 1 1 1 2 2 2 2 4 3 0 1 0 1 1 1 0 0 1 0 1 2 5 10 17 26 28 11 0 0 0 1 2 0 3 4 3 0 1 -1 0 1 0 1 1 0 0 1 2 4 8 15 21 22 8 0 0 -1 0 2 2 2 3 2 0 0 -1 0 1 0 0 0 1 1 1 2 4 6 12 19 17 6 0 -1 0 1 1 2 3 3 1 0 -1 -1 0 0 0 1 1 0 0 0 1 1 2 5 6 2 0 0 0 0 0 0 1 1 0 0 0 0 -1 0 0 1 0 0 0 I/Sigma = 20.14 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 1703.04; Maximum = 22.234; FM = 0.401 !Region 5: Section 1->3 0 0 0 1 0 0 0 0 0 0 5 6 7 1 2 1 0 0 1 17 25 17 6 6 5 2 0 0 1 0 0 0 0 1 -1 0 1 4 7 4 2 3 3 0 0 2 18 32 20 10 11 10 8 0 0 1 1 0 1 1 0 0 0 1 5 5 3 5 3 0 0 0 2 13 22 19 13 10 8 7 1 0 1 1 1 1 0 0 0 0 1 3 4 6 5 2 -1 1 1 1 8 13 14 11 9 5 6 2 0 0 0 1 1 1 0 0 0 1 2 4 4 2 3 1 1 0 2 7 16 8 6 7 5 4 1 0 0 0 0 1 2 1 0 0 1 2 3 1 3 5 3 0 1 2 6 10 5 4 6 5 3 2 0 0 0 -1 0 1 1 1 0 0 0 0 -1 -1 3 4 2 0 0 2 4 3 1 4 5 1 0 0 -1 0 -1 -1 2 2 0 0 0 -1 0 -2 -1 4 4 0 0 0 2 2 2 0 3 3 1 -1 0 -1 0 -1 -1 1 1 0 0 0 -1 -1 -1 -1 2 1 0 0 0 1 0 0 1 2 2 2 0 !Region 5: Section 4->6 1 27 60 29 19 18 17 9 2 1 22 59 31 39 50 34 29 12 1 9 20 19 34 53 29 31 16 7 56 75 52 37 41 41 32 3 8 58 77 61 74100 92 63 11 3 20 33 32 63 98 84 56 13 9 46 58 49 32 33 38 30 4 9 51 61 58 64 85 89 71 15 3 17 24 29 58 86 82 67 18 4 28 37 35 26 26 30 27 5 5 32 39 43 48 66 79 69 19 2 12 14 23 42 68 77 68 23 6 26 29 21 15 16 23 16 3 6 28 25 25 30 46 65 49 13 2 10 7 13 28 51 65 53 16 3 17 22 18 12 9 15 12 3 2 19 23 22 24 32 48 36 7 1 8 10 11 24 40 53 38 9 0 10 18 15 7 8 12 10 1 1 12 21 20 18 28 35 30 6 1 6 9 10 19 34 38 31 8 2 10 13 11 6 6 12 9 0 3 12 15 15 17 23 32 25 4 3 5 6 9 18 26 34 28 6 1 5 3 5 3 4 5 7 0 2 6 4 7 5 11 12 16 1 1 2 1 4 4 12 12 17 1 !Region 5: Section 7->9 1 2 3 6 10 17 8 10 6 0 0 1 1 0 3 1 0 0 0 0 0 0 0 1 1 0 0 2 6 10 9 20 32 24 19 5 1 3 4 2 2 5 1 1 1 0 0 1 0 0 2 1 -1 0 1 3 4 7 17 27 26 22 7 1 1 1 2 0 2 3 0 1 0 0 0 1 0 1 1 -1 0 1 4 2 5 13 22 23 23 8 0 1 -1 -1 1 1 3 1 0 0 0 -1 -1 0 0 2 0 0 0 2 0 4 10 19 18 18 5 0 0 -1 0 1 2 1 1 0 0 0 -1 -1 0 0 1 0 0 0 1 1 5 14 19 16 11 4 0 1 -1 1 2 4 0 -1 0 0 0 -1 0 -1 0 0 -1 0 0 2 5 3 10 13 14 13 5 0 0 2 0 2 2 1 3 2 0 0 0 0 0 1 0 1 0 2 1 2 2 6 9 17 17 5 1 0 0 -1 0 1 5 6 2 0 0 0 -1 0 1 1 1 0 0 0 -1 1 2 3 5 7 1 0 0 -1 1 0 0 2 2 0 0 0 0 0 0 0 1 1 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.0201; Maximum = 0.0113853; FM = 0.438 !Region 6: Section 1->3 0 0 0 1 0 0 0 0 0 1 5 6 7 3 2 1 0 0 5 22 30 28 17 10 7 3 0 0 0 0 0 0 0 1 0 0 2 8 10 8 6 4 3 1 0 9 37 52 43 30 20 14 8 1 0 1 0 0 1 1 0 0 0 2 8 9 9 7 5 1 1 0 8 37 46 43 28 18 12 8 1 0 1 1 1 1 0 -1 0 0 2 7 9 9 6 3 0 2 1 7 32 38 33 22 14 8 7 1 0 0 0 1 0 0 -1 0 0 2 5 7 6 3 2 0 1 0 6 25 31 22 13 9 6 4 1 0 0 -1 0 1 0 0 0 0 1 3 4 2 3 3 1 0 1 4 16 19 13 8 6 5 2 1 0 0 0 -1 0 0 0 0 0 0 1 1 0 1 2 2 1 0 2 9 11 8 6 5 5 2 0 0 -1 0 0 0 1 1 0 0 0 0 1 0 0 3 2 1 0 1 5 7 6 4 4 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 2 2 2 2 2 1 0 !Region 6: Section 4->6 5 33 60 45 34 24 20 8 1 2 21 47 34 39 45 38 24 8 1 7 14 14 26 43 38 31 12 13 73 99 79 60 51 44 27 3 8 54 77 65 74 94 96 64 10 2 15 26 28 55 88100 75 14 13 70 86 77 52 44 41 28 4 9 52 65 63 67 84 90 70 14 2 13 20 27 53 83 94 83 19 11 58 68 58 42 34 30 22 4 7 41 49 49 55 68 73 58 14 2 11 14 24 44 68 78 70 20 10 45 48 38 28 22 21 13 2 7 32 33 34 41 48 56 42 10 2 10 11 18 35 52 64 56 14 5 28 33 27 19 13 14 9 2 4 21 25 28 31 34 42 31 7 1 8 10 16 29 40 51 43 11 3 18 23 20 13 11 10 8 1 3 14 20 23 23 28 31 26 5 1 6 9 14 22 34 38 35 9 2 11 16 14 10 8 10 7 1 2 10 14 17 20 23 27 22 4 2 4 6 12 20 27 34 30 7 1 5 5 6 5 4 4 4 0 1 4 6 8 7 11 11 12 1 1 2 3 6 7 13 14 14 3 !Region 6: Section 7->9 1 2 3 4 8 15 14 13 5 0 1 1 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 1 4 8 8 18 31 36 31 7 1 2 2 2 2 3 2 1 1 0 0 0 0 1 2 1 -1 0 1 3 4 7 17 29 36 36 9 0 1 1 2 1 2 3 2 1 0 0 0 1 0 1 1 -1 0 1 4 3 6 15 23 29 31 9 0 2 0 0 1 0 3 3 1 0 0 -1 0 0 0 2 0 0 0 3 3 6 12 19 24 25 7 0 1 0 1 1 1 2 2 0 0 0 -1 1 1 0 1 0 0 0 2 3 6 13 18 20 20 6 0 0 0 2 2 3 2 2 1 0 0 0 1 0 0 0 1 0 1 3 5 5 10 14 17 19 6 0 1 1 1 2 2 3 4 2 0 0 0 0 1 1 0 1 0 1 2 2 4 7 11 18 18 5 1 1 0 0 1 2 5 5 2 0 0 0 0 1 1 1 2 0 0 0 0 2 3 5 7 8 2 0 0 0 1 1 0 2 2 1 0 0 0 0 1 0 1 1 0 I/Sigma = 32.23 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 5465.9; Maximum = 72.8376; FM = 0.406 !Region 7: Section 1->3 0 0 1 0 0 0 1 0 0 1 4 5 7 5 2 2 0 0 6 19 27 33 25 12 9 2 0 0 0 1 0 0 0 1 1 0 2 8 10 10 8 4 3 1 0 10 44 60 56 43 26 17 7 0 0 0 0 0 1 1 0 1 0 2 9 10 12 8 5 2 2 0 10 47 58 58 37 23 14 9 1 0 0 1 0 0 0 -1 1 0 2 9 11 10 6 3 1 2 0 9 45 52 44 27 16 10 6 1 0 -1 0 0 0 -1 -1 0 0 2 7 8 6 3 1 -1 0 0 7 34 38 29 17 10 5 4 1 0 -1 -1 0 0 -1 -2 0 0 1 3 3 2 2 0 -1 0 0 4 20 23 16 10 5 3 1 0 0 -1 -1 0 1 -1 -1 0 0 0 2 2 1 2 0 0 1 0 2 12 13 10 9 4 3 2 0 0 -1 0 1 1 0 0 1 0 0 1 1 2 2 1 0 1 0 1 6 9 8 6 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 2 1 1 0 0 !Region 7: Section 4->6 7 26 45 46 37 22 18 5 0 2 13 26 23 23 26 31 11 2 0 3 6 4 10 22 35 19 4 13 70100 82 63 48 39 16 1 5 38 58 45 47 62 79 49 5 1 6 12 12 30 58 93 73 8 12 74 92 81 54 41 35 21 1 5 41 51 45 43 58 70 52 7 1 7 10 14 32 59 82 76 12 12 70 77 60 42 31 23 12 1 5 39 41 35 39 47 47 32 5 1 7 9 15 31 48 57 52 9 9 51 52 40 29 20 14 7 1 4 28 28 27 34 33 33 24 4 1 8 9 16 30 36 44 42 7 5 29 31 25 18 12 8 3 0 2 16 17 21 25 25 24 17 3 1 6 6 15 26 30 36 33 7 3 18 20 16 13 9 6 4 0 2 10 12 16 18 19 18 15 3 1 4 7 14 19 24 27 28 5 1 8 13 12 11 6 6 3 0 0 4 8 12 16 16 15 12 2 0 2 4 11 16 21 25 23 4 0 3 5 4 4 2 2 1 0 0 1 4 5 6 8 7 4 1 0 1 3 5 7 12 13 8 1 !Region 7: Section 7->9 0 2 3 1 4 9 14 10 2 0 1 1 0 0 0 1 0 0 0 0 0 -1 0 0 0 0 0 0 2 5 5 12 23 39 34 5 0 0 1 1 2 2 3 1 1 0 0 0 0 1 1 1 0 0 0 2 3 6 13 24 36 39 7 0 0 1 2 1 2 3 3 1 0 -1 0 1 -1 1 1 0 0 0 3 3 6 13 18 25 28 6 0 2 0 2 1 -1 2 3 1 0 0 -1 1 0 -1 1 0 0 1 4 4 6 11 14 20 23 5 0 1 0 2 1 0 2 2 0 0 0 -1 2 1 0 1 0 -1 1 2 3 7 11 13 17 20 4 0 0 0 2 2 2 3 4 1 0 0 0 1 1 0 1 2 0 1 3 4 6 8 10 15 18 4 0 1 1 1 1 1 3 4 1 0 1 0 1 1 0 1 2 0 0 2 2 5 6 10 14 14 3 0 1 0 1 2 1 3 3 1 0 1 1 1 2 0 1 2 0 0 0 1 2 3 6 8 5 1 0 0 0 1 1 1 2 1 0 0 0 0 1 2 0 0 1 0 I/Sigma = 63.63 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 8 Sum = 21129.2; Maximum = 249.471; FM = 0.578 !Region 8: Section 1->3 0 1 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 4 15 11 8 8 4 2 1 0 0 1 1 0 0 1 1 0 0 2 5 3 2 1 1 1 0 0 10 29 25 24 16 9 4 1 0 0 1 1 1 0 1 1 0 0 2 5 3 2 1 1 1 0 0 11 35 31 29 17 9 4 1 0 0 1 1 0 0 0 1 0 0 3 6 3 2 1 1 1 1 1 12 39 39 31 17 8 3 2 1 0 1 0 0 1 1 0 0 0 2 6 3 1 1 1 1 1 0 13 43 37 27 13 6 2 2 1 0 1 0 0 0 0 0 0 0 2 4 2 1 1 1 1 1 0 11 37 31 19 9 4 2 1 0 0 0 1 0 0 1 0 0 0 1 2 2 1 1 1 0 0 1 8 26 22 13 6 3 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 4 16 14 8 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 3 1 1 0 0 0 !Region 8: Section 4->6 6 26 24 26 28 19 10 3 0 3 15 19 30 37 38 24 7 1 0 3 6 14 24 36 27 11 3 14 50 61 67 56 40 19 8 2 7 30 53 70 80 77 52 25 6 1 7 17 32 56 75 62 36 11 17 64 80 82 57 37 17 8 2 9 41 70 85 81 70 44 28 9 2 10 22 38 58 70 55 40 14 19 76100 88 55 30 14 7 2 11 52 89 89 75 56 37 23 7 2 13 27 39 53 56 46 35 14 23 88 95 80 43 23 10 5 1 13 62 84 81 59 43 28 19 6 3 15 26 35 41 43 36 30 12 20 81 84 57 31 15 7 4 1 13 61 77 58 42 29 20 15 5 3 16 24 25 30 30 28 26 11 15 63 63 41 20 11 5 2 1 11 50 58 43 29 23 16 12 4 3 13 18 18 22 25 24 22 9 9 39 41 25 13 7 4 2 0 7 32 38 28 21 16 13 9 4 2 9 13 14 17 20 20 19 8 2 10 15 7 5 3 1 0 0 1 8 14 8 8 7 5 4 2 0 2 5 5 6 8 9 8 4 !Region 8: Section 7->9 0 0 1 3 7 13 12 6 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 17 30 27 19 7 0 0 0 0 2 2 3 3 1 0 0 0 0 0 0 1 1 0 1 2 3 7 18 29 25 21 8 0 1 0 0 1 2 2 3 2 0 0 0 0 0 0 0 1 0 1 2 3 8 17 24 21 19 10 1 1 1 1 1 2 2 3 2 0 1 0 0 0 0 1 0 0 1 2 3 7 13 18 17 17 8 1 1 0 1 1 2 2 3 2 0 0 0 0 0 0 0 1 0 1 2 2 5 10 14 15 15 8 0 1 0 1 1 2 2 2 2 0 0 0 0 0 0 1 0 0 1 2 2 4 7 12 13 14 7 0 2 1 0 1 1 2 3 2 0 1 0 0 0 0 0 0 0 1 1 2 3 6 9 11 12 6 0 1 1 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 4 6 5 3 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 160.37 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.079 Region 9 Sum = 105531; Maximum = 1518.75; FM = 0.863 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 3 3 3 1 1 0 0 0 0 1 0 0 0 0 0 0 0 2 4 3 2 1 0 0 0 0 4 9 11 8 4 2 1 1 0 0 1 1 0 0 0 0 0 0 2 6 6 4 2 1 0 0 0 5 13 17 14 8 3 1 1 0 1 2 2 1 0 0 0 0 0 3 8 10 6 3 1 0 0 0 6 16 24 21 13 5 2 1 0 1 3 2 1 0 0 0 0 0 3 10 12 9 5 1 0 0 0 6 19 28 29 20 8 2 1 0 1 3 2 1 0 0 0 0 0 4 11 13 11 8 3 1 0 0 7 20 29 34 27 12 3 1 0 1 2 2 1 1 0 0 0 0 4 9 11 11 10 4 1 0 0 6 17 25 32 30 14 4 1 0 1 1 1 1 1 0 0 0 0 3 7 8 10 9 4 1 0 0 5 12 18 25 27 14 4 1 0 0 1 0 0 0 0 0 0 0 2 3 3 3 4 2 1 0 0 2 5 7 8 12 6 2 0 0 !Region 9: Section 4->6 2 5 8 9 6 3 1 1 0 1 4 9 12 11 8 4 2 0 0 1 4 7 9 9 7 4 1 5 14 21 25 22 12 5 1 0 3 11 21 35 38 26 11 4 1 1 4 10 20 29 25 17 10 3 6 17 29 39 36 22 8 2 0 3 13 28 53 64 45 19 6 1 1 5 13 31 45 39 24 12 4 6 19 37 55 53 33 13 3 0 3 14 35 76 90 66 29 8 2 1 5 17 44 61 53 31 16 5 6 21 43 68 64 41 16 4 1 3 15 44 91100 77 35 9 2 1 5 22 51 63 56 33 16 5 6 23 47 73 70 45 17 4 1 3 17 50 93 97 75 33 9 2 1 6 23 49 56 50 29 15 5 5 20 40 64 65 40 15 3 0 3 15 42 78 83 61 26 7 1 1 5 18 38 45 38 22 11 4 4 14 29 48 49 31 10 2 0 2 11 28 55 58 40 16 5 1 1 3 11 25 30 23 13 8 3 2 6 10 15 18 12 4 1 0 1 4 8 17 18 13 4 1 0 0 1 3 8 8 6 4 2 1 !Region 9: Section 7->9 0 0 1 2 5 7 8 5 1 0 0 1 1 2 3 5 3 1 0 0 0 0 1 1 1 1 0 0 1 2 6 13 17 18 13 4 0 0 1 2 5 8 10 8 2 0 0 0 0 1 2 2 2 1 0 1 3 8 17 22 22 16 6 0 0 1 2 6 10 12 9 3 0 0 0 0 1 2 2 2 1 0 1 4 10 20 24 23 18 7 0 0 1 2 6 10 11 9 3 0 0 0 0 1 2 2 2 1 0 1 4 10 18 21 21 17 7 0 0 0 2 5 8 9 8 3 0 0 0 0 0 1 1 1 1 0 1 3 7 13 16 17 15 6 0 0 0 1 3 5 7 7 3 0 0 0 0 0 0 1 1 0 0 1 1 4 8 10 12 11 4 0 0 0 0 1 3 5 5 2 0 0 0 0 0 0 1 1 0 0 0 1 2 4 6 8 7 3 0 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 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 (203 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) 203 0 203 4.3533 0.8636 20.400 126.413 Orientation ('UB') matrix: 0.1443808 0.0355455 -0.0036104 0.0296229 -0.0027604 0.0770627 0.0654774 -0.0771306 -0.0044218 A B C Alpha Beta Gamma Vol 6.2442 11.7686 13.0322 90.000 96.783 90.000 950.97 0.0003 0.0017 0.0007 0.000 0.003 0.000 0.20 Corrected for goodness of fit: 0.0008 0.0042 0.0017 0.000 0.008 0.000 0.51 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.882 96.080 24.097 Goniometer zeros (deg): 0.0000* 0.0470 0.0000* -0.0264 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1574 -0.8861 0.0681 -0.3842 -0.1407 0.8622 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.67827e+03 3.59118e+03 2.52 5 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 203 203 173 Average input ESD (pix, pix, deg): 0.15167 0.12330 0.05465 Goodness of fit: 2.61107 2.59463 2.20427 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:05 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 97.58% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 3.89 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.00 0.00 3.89 1.000 2_0003 9 -0.06 -0.12 0.02 0.22 0.13 0.47 27899 59 0 0.45 22 2.71 2.58 3.89 1.000 3_0004 3 0.01 -0.23 -0.02 0.06 0.25 0.09 28377 54 0 0.72 31 2.69 2.77 3.58 1.000 4_0005 11 0.04 -0.14 -0.00 0.09 0.21 0.12 71827 84 0 0.70 28 2.51 3.07 3.37 1.000 5_0006 5 0.02 -0.14 -0.01 0.11 0.16 0.12 26113 64 0 0.76 25 2.51 3.09 3.27 1.000 6_0007 9 -0.00 -0.08 -0.02 0.23 0.12 0.16 45149 66 0 0.68 26 2.57 3.10 3.23 1.000 7_0008 8 0.04 -0.17 -0.04 0.12 0.18 0.09 7976.4 30 0 0.58 28 2.49 3.04 3.12 1.000 8_0009 12 0.01 -0.08 0.06 0.07 0.11 0.19 72590 110 0 0.73 28 2.49 3.09 3.05 1.000 9_0010 7 -0.13 -0.11 0.07 0.35 0.29 0.18 8042.2 29 14 0.50 25 2.49 3.06 3.14 1.000 10_0011 12 0.02 -0.15 0.02 0.09 0.20 0.12 51506 70 0 0.80 26 2.50 3.07 3.09 1.000 11_0012 11 -0.01 -0.16 -0.14 0.15 0.26 0.35 12212 41 0 0.77 27 2.50 3.03 3.02 1.000 12_0013 9 0.07 -0.14 -0.06 0.56 0.27 0.19 62034 62 0 0.55 28 2.49 3.07 2.95 1.000 13_0014 11 0.04 -0.09 -0.04 0.08 0.12 0.25 66380 89 0 0.76 27 2.51 3.14 3.02 1.000 14_0015 2 0.00 0.05 0.16 0.06 0.05 0.17 60037 99 0 0.73 30 2.50 3.14 3.04 1.000 15_0016 7 -0.00 -0.05 -0.00 0.07 0.10 0.07 58761 99 0 0.59 28 2.51 3.15 3.00 1.000 16_0017 15 -0.01 -0.04 0.06 0.35 0.17 0.15 38054 65 0 0.66 25 2.55 3.16 3.08 1.000 17_0018 11 -0.05 -0.12 -0.07 0.15 0.19 0.22 8381.9 32 0 0.65 26 2.53 3.13 3.10 1.000 18_0019 11 0.00 -0.06 0.00 0.09 0.12 0.07 55522 82 0 0.77 29 2.54 3.18 3.11 1.000 19_0020 12 0.03 -0.11 0.10 0.10 0.15 0.30 44126 77 0 0.68 26 2.55 3.16 3.15 1.000 Background pixels updated = 97.19% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 -0.10 -0.10 0.07 0.21 0.23 0.11 21809 51 0 0.74 28 2.53 3.15 3.16 1.000 21_0022 6 -0.05 -0.06 -0.07 0.12 0.16 0.31 148964 148 0 0.77 26 2.54 3.15 3.19 1.000 22_0023 5 -0.05 -0.07 0.05 0.23 0.11 0.19 20667 38 0 0.71 28 2.52 3.14 3.17 1.000 23_0024 13 0.03 -0.10 -0.05 0.22 0.16 0.27 14678 43 8 0.63 26 2.53 3.14 3.16 1.000 24_0025 10 0.00 -0.05 -0.05 0.08 0.13 0.18 56178 83 0 0.79 28 2.51 3.14 3.09 1.000 25_0026 14 0.12 -0.10 -0.07 0.20 0.23 0.20 53805 71 0 0.76 27 2.50 3.13 3.10 1.000 I/Sigma = 50.36 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 1 Sum = 14855.9; Maximum = 145.201; FM = 0.661 !Region 1: Section 1->3 0 1 0 0 0 0 0 0 0 3 5 3 2 1 1 1 1 0 11 23 16 9 6 3 1 1 0 0 0 0 1 0 0 0 0 0 3 8 6 5 3 2 1 1 0 13 36 34 26 17 9 4 2 0 0 1 0 0 0 0 1 0 0 5 10 8 6 3 2 2 1 0 18 45 41 29 17 8 4 3 1 0 0 1 1 1 1 1 0 0 4 9 8 6 3 3 2 1 0 16 46 42 31 20 10 5 2 1 0 0 0 0 0 0 0 0 0 3 7 7 5 3 2 1 0 0 12 33 33 26 18 9 5 2 1 0 0 0 0 0 1 0 0 0 3 7 6 3 2 2 1 1 0 11 32 28 20 12 6 4 2 0 0 0 0 0 0 0 0 0 0 2 4 3 3 1 1 1 1 0 7 17 17 13 8 5 3 2 1 0 0 0 0 0 0 0 0 0 1 2 3 3 1 1 1 1 0 4 12 13 11 7 4 3 2 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 4 3 2 2 1 1 1 0 !Region 1: Section 4->6 14 33 27 23 20 11 6 4 1 6 18 21 29 31 22 19 15 5 1 4 7 15 19 18 20 21 8 20 58 68 67 56 37 22 13 4 12 39 60 78 82 73 58 42 15 3 11 21 36 50 62 66 55 19 25 68 76 71 59 39 24 15 5 13 41 61 84 98 87 71 53 20 3 10 21 42 64 75 80 70 26 24 74 81 78 65 43 27 15 5 14 47 71 92100 90 74 54 20 3 12 26 45 62 78 86 76 27 19 58 70 70 58 37 24 14 4 13 42 65 84 88 79 67 49 17 3 12 24 40 57 72 80 67 23 18 51 54 50 39 26 17 11 3 12 34 49 62 66 63 54 41 15 3 10 19 33 47 62 71 64 22 12 32 39 38 30 20 13 8 3 8 25 39 51 51 45 38 31 11 2 8 16 27 36 43 50 47 17 8 23 29 29 22 14 10 7 2 7 18 29 36 36 33 30 25 10 2 6 12 19 27 34 40 37 14 2 7 9 10 8 5 3 2 1 2 6 11 17 15 13 11 9 4 1 3 5 10 11 12 18 20 8 !Region 1: Section 7->9 0 1 1 3 4 5 8 10 3 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 5 11 21 29 28 9 1 1 1 1 1 2 3 4 1 0 0 0 0 0 1 0 0 0 0 2 3 6 13 22 34 35 12 0 0 1 1 1 2 4 5 2 0 0 0 0 0 0 0 0 0 1 2 4 6 13 26 39 41 13 1 1 1 1 2 3 5 6 1 0 0 0 0 1 1 0 0 0 1 2 3 6 14 25 36 36 11 0 0 1 1 2 2 4 6 2 0 0 0 0 0 0 0 0 0 1 2 4 6 12 22 35 37 12 0 1 1 1 2 2 5 6 2 0 1 1 0 0 0 1 0 0 0 2 3 5 9 16 25 27 9 0 1 1 1 1 2 4 5 2 0 0 0 0 1 1 1 0 0 1 1 2 5 8 14 20 23 8 1 0 0 1 2 2 3 6 2 0 0 0 0 1 1 1 0 1 0 1 1 2 3 4 11 15 5 0 0 0 1 0 1 2 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 257.69 Thresh = 0.020 Blend = F #Contributing = 60 InitialProfileWt = 0.053 Region 2 Sum = 342525; Maximum = 5773.84; FM = 0.94 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 3 7 12 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 4 1 0 0 1 3 10 18 25 14 3 0 0 0 0 0 1 0 0 0 0 0 0 1 3 7 13 10 2 0 0 1 4 11 24 37 27 7 1 0 0 0 0 1 0 0 0 0 0 0 1 4 8 14 13 5 0 0 1 5 13 27 42 37 14 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 11 13 6 1 0 1 4 13 24 34 34 16 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 7 3 0 0 1 3 10 18 23 20 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 2 6 11 14 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 4 5 2 0 0 0 !Region 2: Section 4->6 0 1 4 8 8 5 1 0 0 0 1 3 9 12 8 3 1 0 0 0 1 5 8 6 3 1 0 1 3 11 25 29 15 4 1 0 0 2 9 25 42 25 8 2 0 0 1 3 12 26 18 7 3 1 1 5 17 37 50 31 9 2 0 0 3 14 43 75 53 18 4 1 0 1 6 24 50 38 14 4 1 1 6 22 49 66 51 20 3 0 1 5 23 66 99 82 39 8 1 0 2 12 42 69 58 30 8 1 1 9 29 57 71 64 30 6 0 1 8 39 81100 97 56 13 1 0 3 23 55 68 66 41 11 1 1 9 32 54 61 54 28 5 0 1 10 47 83 91 83 51 12 1 0 5 29 57 65 59 38 11 1 1 7 23 43 46 36 14 2 0 1 7 32 67 75 58 25 5 1 0 3 19 45 54 42 20 5 1 1 3 11 24 29 18 5 1 0 1 3 13 36 49 31 8 2 0 0 1 7 23 35 24 8 3 1 0 1 3 8 11 4 1 0 0 0 1 3 10 18 8 2 1 0 0 0 2 6 12 7 2 1 0 !Region 2: Section 7->9 0 0 0 1 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 1 4 9 8 4 2 0 0 0 1 2 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 15 13 6 2 1 0 0 1 3 6 5 2 1 0 0 0 0 0 1 1 0 0 0 0 1 4 14 20 16 9 3 1 0 0 2 6 8 6 3 1 0 0 0 0 1 1 1 0 0 0 0 1 7 18 21 16 10 4 1 0 0 3 8 8 5 3 1 0 0 0 0 1 1 1 0 0 0 0 1 8 18 19 15 9 4 1 0 0 3 7 6 4 3 1 0 0 0 0 1 1 0 0 0 0 0 1 4 11 14 11 7 3 1 0 0 1 3 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 9 8 4 2 1 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 204.63 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.069 Region 3 Sum = 148971; Maximum = 2874.79; FM = 0.91 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 4 8 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 3 7 11 11 9 5 1 0 0 0 0 0 0 0 0 0 0 0 2 3 3 3 2 1 0 0 1 6 10 14 14 12 6 2 0 0 0 0 0 0 0 0 0 0 0 2 3 3 3 2 1 0 0 1 8 13 17 16 11 5 1 0 0 0 0 0 0 0 0 0 0 0 2 3 4 3 1 1 0 0 1 7 12 16 14 7 2 1 0 0 0 0 0 0 0 0 0 0 0 2 2 3 2 1 0 0 0 1 6 9 11 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 3: Section 4->6 0 1 2 6 9 7 3 1 0 0 1 2 6 14 13 6 1 0 0 1 1 3 9 10 5 2 1 0 3 8 19 24 20 10 2 0 0 2 8 24 41 37 20 6 1 0 1 4 12 27 28 17 6 1 1 5 14 32 42 34 17 5 0 1 4 16 49 75 62 33 11 2 0 2 8 28 50 45 26 10 2 1 9 24 45 54 45 23 6 1 1 8 31 71 96 81 43 13 2 0 3 16 45 65 57 32 12 2 2 14 32 50 56 45 22 5 1 1 14 47 80100 84 45 12 2 1 7 26 50 67 58 33 11 2 2 14 32 48 49 33 14 3 0 2 17 48 78 90 67 32 9 1 1 9 28 48 60 48 25 8 2 2 11 24 36 34 18 7 2 0 2 14 38 62 65 41 17 6 1 1 8 23 39 44 32 15 5 1 1 6 14 20 18 9 4 1 0 1 7 23 39 39 23 10 4 1 0 4 14 26 29 20 10 4 1 1 2 3 6 6 2 1 1 0 0 2 6 13 15 6 4 1 0 0 1 4 10 12 6 4 1 0 !Region 3: Section 7->9 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 13 9 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 11 16 15 10 4 1 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 5 11 15 13 8 3 1 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 9 11 10 6 2 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 8 7 4 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.07 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.344 Region 4 Sum = 6485.35; Maximum = 67.2179; FM = 0.681 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 8 10 11 5 2 1 1 0 0 0 1 0 1 1 0 0 0 0 2 3 2 2 1 0 0 0 4 20 27 25 14 6 3 2 0 0 0 1 1 1 0 0 1 0 0 1 3 3 2 1 1 1 0 5 22 28 25 18 10 5 3 0 0 1 0 0 1 0 0 1 0 0 2 2 1 1 0 1 3 1 3 19 26 21 16 10 6 4 1 0 1 0 0 1 0 0 0 0 0 2 2 2 1 0 0 1 0 3 15 20 17 13 9 5 3 1 0 1 2 0 0 1 1 1 0 1 2 4 2 1 2 1 1 0 3 13 17 14 10 8 5 2 1 0 1 1 1 1 1 1 1 0 0 1 3 2 2 2 2 1 0 2 10 15 10 10 9 4 2 1 0 0 1 1 0 0 0 1 0 0 0 3 3 1 0 1 1 0 2 8 11 9 7 5 4 1 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 4 5 4 4 3 2 0 0 !Region 4: Section 4->6 4 22 26 30 17 10 5 4 0 3 16 28 40 33 23 16 10 2 0 2 15 26 30 24 19 14 2 10 52 65 64 44 24 13 8 2 8 41 63 83 79 58 39 24 6 2 10 28 56 68 61 50 35 8 12 55 67 66 55 35 20 10 2 9 43 61 87 95 76 53 33 7 3 11 24 58 77 75 61 47 11 8 45 64 59 55 42 27 14 3 7 37 58 78 98 95 74 45 9 2 11 24 51 79 93 82 63 14 8 36 48 47 46 41 27 14 3 6 29 46 63 87100 84 54 13 2 10 21 40 71 98 93 72 18 6 28 36 38 36 35 26 12 3 4 22 33 48 71 90 83 55 12 2 8 14 29 58 89 94 76 18 5 23 30 26 30 30 19 11 2 3 17 26 36 52 68 66 47 10 1 6 11 23 41 65 79 67 16 4 19 23 22 23 22 16 10 1 3 14 21 28 38 51 54 41 7 2 5 9 18 31 49 63 53 10 2 9 10 10 11 11 11 2 0 2 7 9 12 18 24 27 8 0 1 3 4 8 14 23 30 10 1 !Region 4: Section 7->9 0 1 3 7 9 9 9 8 1 0 0 1 1 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 2 6 15 21 23 27 23 5 0 0 0 2 2 3 7 8 2 0 0 -1 1 1 0 0 1 1 1 3 6 15 22 26 28 29 7 0 1 1 2 3 3 5 7 2 0 0 0 1 1 0 1 1 0 0 3 7 12 21 31 32 34 9 0 0 2 2 1 2 4 8 3 0 0 0 1 0 0 0 1 0 1 2 6 9 18 31 34 35 10 0 0 2 2 1 2 4 5 2 0 0 1 2 0 0 0 0 0 1 3 4 7 15 28 33 37 10 0 1 0 2 2 2 3 7 2 0 0 0 2 1 0 0 1 0 0 1 3 6 11 20 30 35 10 0 0 -1 1 2 1 5 7 2 0 0 -1 0 2 0 1 1 0 1 1 2 4 9 16 24 24 6 0 -1 -1 1 1 1 2 4 2 0 0 -1 0 1 0 0 1 1 0 1 1 2 4 8 11 5 0 0 -1 -1 1 1 1 1 1 0 0 0 -1 1 1 0 0 0 0 I/Sigma = 22.65 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 2009.67; Maximum = 21.7835; FM = 0.595 !Region 5: Section 1->3 0 0 0 0 0 0 1 0 0 0 3 3 1 2 0 2 1 0 3 16 14 6 7 5 4 2 0 0 0 -1 0 1 0 1 0 0 1 8 9 5 4 1 2 0 0 6 34 43 19 13 7 6 3 1 0 0 0 1 0 0 0 -1 0 1 7 11 7 3 2 2 -2 0 5 30 42 21 12 11 10 5 1 0 1 0 0 1 0 1 -1 0 1 6 5 2 3 2 3 0 0 4 21 27 16 11 10 11 7 1 1 1 1 1 2 0 -1 0 0 1 4 4 5 7 2 -1 1 0 3 12 16 18 14 9 6 7 1 1 1 1 1 0 0 0 0 0 2 3 5 5 2 2 0 1 0 3 9 15 11 8 8 5 5 1 0 0 0 1 1 1 0 0 0 1 2 3 3 4 4 1 1 0 2 9 12 5 6 6 4 4 1 0 0 0 0 1 2 1 0 0 1 1 2 0 3 5 3 1 1 1 6 7 4 3 7 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 -1 0 2 1 1 0 0 1 3 1 0 3 2 -1 0 !Region 5: Section 4->6 14 44 28 21 14 22 12 8 1 14 42 30 31 35 32 25 15 3 4 12 14 19 36 21 26 14 3 22 79 84 43 35 34 24 16 3 24 74 78 56 74 75 49 36 8 9 22 29 34 67 67 45 34 8 15 70 87 48 40 42 38 24 3 17 68 87 59 84 98 77 51 8 6 24 37 35 75 90 64 45 9 14 60 67 49 40 40 42 30 5 15 62 70 62 87100 89 62 10 4 22 28 34 77 95 77 54 9 12 40 48 46 31 32 38 32 6 13 45 53 59 65 80 88 72 13 4 16 21 33 60 76 77 65 12 9 29 33 28 23 24 28 23 5 10 30 32 36 47 62 73 58 13 3 11 11 21 43 62 68 56 12 7 24 26 17 14 13 20 16 3 8 25 25 22 31 42 58 42 8 3 9 9 13 31 47 56 41 7 3 15 19 18 11 11 14 11 2 4 17 22 23 26 35 43 27 4 2 8 10 12 28 41 44 26 4 1 4 12 5 3 5 6 2 0 1 6 14 7 9 17 17 4 0 1 3 5 4 10 20 17 5 0 !Region 5: Section 7->9 0 0 1 3 11 7 15 7 2 0 0 -1 -1 1 2 4 1 1 0 0 0 0 0 0 0 0 0 1 0 3 7 19 21 20 12 4 1 -1 1 -1 1 4 8 1 1 1 0 1 0 1 2 2 0 0 2 4 10 10 24 28 19 13 3 1 1 4 1 3 6 3 0 0 0 0 1 0 1 3 1 -1 0 1 6 7 8 23 30 22 19 3 0 3 3 2 2 3 2 0 0 0 1 1 1 1 1 1 -2 0 0 2 3 7 18 22 22 20 4 0 0 -1 -1 1 1 3 0 1 0 0 -1 -1 0 1 2 -1 0 1 5 2 5 13 19 20 19 4 0 2 -1 -1 1 1 2 0 0 0 0 -1 -1 0 0 2 -1 0 1 0 1 6 14 18 15 13 2 1 0 -1 2 2 3 0 0 0 0 0 -1 0 -1 1 0 -1 0 1 2 3 4 15 17 14 8 2 0 -1 0 1 3 4 0 0 0 0 -1 0 0 -1 1 0 0 0 0 2 2 1 4 5 6 5 1 0 1 2 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.01395; Maximum = 0.00960288; FM = 0.617 !Region 6: Section 1->3 0 1 0 0 1 0 1 0 0 1 4 3 2 2 1 2 0 0 3 17 17 11 11 7 5 2 0 0 0 -1 1 1 0 1 0 0 1 7 8 6 5 2 2 0 0 7 36 44 31 24 15 10 4 1 0 0 1 1 0 0 0 0 0 1 7 9 7 4 2 2 0 0 8 37 49 39 27 18 13 7 1 0 1 0 0 1 1 1 0 0 2 7 6 5 4 3 3 0 0 8 35 43 37 27 18 12 7 1 0 1 1 1 2 0 0 0 0 2 6 6 6 6 3 0 1 1 6 30 36 36 24 15 8 8 1 0 1 0 1 0 0 0 0 0 2 5 6 5 3 2 0 1 0 6 25 31 26 16 11 6 5 1 0 0 -1 0 1 1 -1 0 0 1 2 3 3 3 3 0 0 0 3 17 21 15 10 7 4 3 1 0 0 0 -1 1 1 0 0 0 0 1 1 0 2 2 1 0 0 2 9 12 9 6 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 5 3 2 3 1 0 0 !Region 6: Section 4->6 9 34 31 27 23 20 12 6 1 9 28 26 30 32 27 23 12 2 2 8 10 15 24 20 26 14 3 17 71 86 66 54 42 30 17 3 16 56 70 63 70 69 60 43 8 5 16 24 30 51 61 67 56 10 16 74100 80 63 51 42 26 4 13 59 85 71 82 89 84 64 12 4 19 31 32 61 82 91 83 16 16 77 95 81 63 49 43 29 5 13 63 81 74 84 92 91 67 12 3 19 27 32 64 90 99 84 16 15 67 81 74 50 41 36 27 5 13 56 68 68 68 76 81 63 12 3 17 22 31 55 75 88 74 15 12 53 61 50 36 30 25 19 4 11 43 47 46 52 60 63 48 11 3 13 16 23 45 62 71 62 13 8 37 41 32 23 18 18 12 2 8 31 32 31 38 40 47 34 7 3 11 11 18 37 46 57 46 9 4 20 27 24 16 13 12 9 2 4 17 24 26 29 32 36 24 5 2 7 10 16 30 38 46 33 6 1 6 13 8 6 5 5 2 0 1 5 11 10 11 14 14 6 1 1 2 5 7 12 17 19 11 2 !Region 6: Section 7->9 0 1 1 3 7 7 13 7 2 0 0 0 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 1 2 4 7 15 23 31 27 5 1 0 2 0 1 3 6 3 1 0 1 2 0 0 1 1 0 0 1 4 9 9 19 29 37 38 8 1 1 3 1 3 4 4 2 1 0 0 1 0 1 1 1 0 0 1 4 6 8 20 33 40 40 8 0 1 2 2 2 3 3 3 1 0 0 1 1 0 1 1 -1 0 0 3 4 7 19 26 36 35 7 0 0 1 0 2 1 3 3 1 0 0 0 0 1 0 1 0 0 1 4 4 7 15 22 29 30 6 0 2 0 0 1 1 3 3 1 0 0 -1 0 0 0 1 -1 0 1 2 3 7 16 19 23 23 5 0 0 0 2 3 3 2 3 1 0 0 0 1 1 1 1 1 0 1 3 4 7 14 17 20 18 4 0 0 1 1 2 3 2 4 1 0 0 0 0 0 1 1 1 0 0 1 2 2 5 6 9 9 2 0 0 1 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.13 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 6361.68; Maximum = 71.5488; FM = 0.567 !Region 7: Section 1->3 0 1 0 0 1 0 0 0 0 0 3 3 2 2 1 1 0 0 1 11 15 12 13 8 4 2 0 0 0 0 1 1 1 1 0 0 1 4 4 5 4 3 2 0 0 4 27 35 35 30 20 12 5 0 0 0 1 0 0 0 0 1 0 0 3 5 5 4 2 1 1 0 6 31 44 47 37 23 14 7 1 0 0 1 1 1 1 1 0 0 1 5 5 5 4 3 2 1 0 7 37 47 48 37 22 12 7 1 0 0 0 1 1 0 0 0 0 1 5 5 6 4 2 1 2 1 6 37 47 46 28 18 9 8 1 0 1 0 0 1 -1 0 0 0 1 5 5 5 3 1 -1 1 0 5 31 38 33 19 12 5 5 1 0 0 -1 -1 0 0 -2 -1 0 0 2 1 2 1 0 -2 -1 0 3 20 25 20 11 6 4 2 0 0 -1 -1 -1 1 0 -2 -1 0 0 0 0 0 2 -1 -2 -1 0 1 10 14 10 8 3 2 1 0 0 -1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 2 6 4 4 2 1 1 0 !Region 7: Section 4->6 2 16 27 26 26 14 10 4 0 1 9 17 20 20 14 15 6 0 1 3 4 6 8 12 19 8 1 7 46 68 69 56 40 30 15 2 4 27 46 49 42 42 54 38 4 1 7 13 15 20 38 69 62 7 9 59 91 89 68 47 38 22 3 5 38 65 59 52 55 71 62 9 1 10 18 17 28 52 93100 16 12 73 98 89 66 46 35 23 3 7 51 71 58 52 59 70 58 9 1 12 19 18 33 63 95 90 14 12 76 91 80 52 38 28 19 2 9 54 63 52 45 49 55 41 6 2 14 15 17 34 52 76 65 11 11 62 71 56 37 28 18 11 2 8 45 48 37 38 39 37 27 4 2 13 16 17 33 43 54 49 8 7 40 44 35 23 16 11 5 1 5 29 28 26 30 26 26 17 3 2 10 9 14 33 33 43 37 7 2 18 25 21 15 10 7 4 1 2 12 17 19 21 19 20 14 2 1 5 7 15 24 26 35 30 5 1 5 10 8 6 5 3 1 0 0 3 6 8 8 8 8 6 1 0 1 3 6 10 11 15 12 1 !Region 7: Section 7->9 0 2 1 2 3 6 10 5 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 3 5 5 8 17 33 33 4 0 1 3 1 1 2 3 3 0 0 1 3 0 0 0 1 1 0 1 4 6 5 11 23 45 52 9 0 1 2 1 2 2 3 3 1 0 0 1 0 1 0 0 0 0 0 2 4 6 14 29 47 49 8 0 0 1 2 1 2 4 4 1 0 -1 1 1 0 0 1 0 0 0 3 3 6 15 23 38 39 7 0 1 2 1 2 0 3 4 1 0 0 1 1 1 -1 1 0 0 1 4 5 6 14 19 28 31 6 0 1 1 1 1 0 2 4 1 0 0 0 1 0 -1 1 0 0 1 4 4 6 15 16 24 25 5 0 0 0 2 3 2 3 5 1 0 -1 0 2 3 0 1 1 0 1 3 4 8 12 13 20 22 4 0 1 1 2 2 2 4 6 1 0 0 0 0 1 0 1 2 0 0 1 1 2 4 5 9 9 1 0 0 0 0 0 0 1 2 0 0 0 0 0 0 -1 0 1 0 I/Sigma = 59.64 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 8 Sum = 17855.9; Maximum = 187.243; FM = 0.682 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 3 11 11 6 4 4 2 0 0 0 0 1 0 0 1 1 0 0 2 5 4 2 1 1 1 1 0 7 24 20 14 12 8 4 2 0 0 0 0 0 0 1 1 0 0 2 5 3 2 1 1 2 0 0 8 27 23 19 16 9 4 2 0 0 1 0 0 0 0 1 0 0 2 5 4 2 1 1 2 1 0 10 32 28 24 18 8 4 2 0 0 1 1 0 0 0 1 0 0 2 5 4 2 1 1 1 1 0 11 34 32 26 17 8 3 2 1 0 1 0 0 1 1 1 0 0 2 5 4 1 1 1 1 1 0 10 35 31 21 12 6 3 2 1 0 1 1 0 0 0 0 0 0 1 4 3 1 1 1 1 0 0 9 26 24 15 8 4 2 1 0 0 0 1 0 0 0 0 0 0 1 2 1 1 1 1 1 1 0 5 16 15 9 5 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 6 3 2 1 0 0 0 !Region 8: Section 4->6 5 22 22 18 19 19 12 3 1 3 15 17 20 29 37 30 9 2 1 4 5 9 19 35 33 14 3 13 46 47 46 50 40 25 11 2 8 29 40 52 75 79 67 36 7 2 7 13 25 50 75 80 51 11 15 53 61 66 64 46 25 11 2 9 33 55 76 93 87 66 39 9 2 8 19 35 62 81 79 58 16 18 64 80 81 70 39 21 9 2 11 42 76 92 98 76 54 32 8 2 10 26 41 64 76 66 48 15 23 74 93 88 67 34 16 8 1 14 52 89100 92 65 44 26 6 3 13 32 46 60 62 54 39 12 22 80 91 74 50 24 11 6 1 15 59 89 84 70 47 29 20 5 3 15 32 39 45 45 37 33 11 20 65 75 54 33 16 8 4 1 15 53 78 63 48 32 21 15 4 3 16 30 29 32 32 29 26 10 14 45 51 36 21 10 6 2 0 11 40 54 44 34 23 17 11 3 3 12 21 22 24 25 24 22 8 4 13 20 12 8 4 3 1 0 3 12 21 17 15 9 8 5 1 1 3 8 10 12 11 10 10 4 !Region 8: Section 7->9 0 1 1 2 6 15 14 9 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 5 15 30 36 27 8 0 0 0 0 2 4 4 4 1 0 0 0 0 1 0 0 1 0 1 1 3 6 17 32 37 32 11 0 0 1 1 2 4 4 6 2 0 0 0 0 0 1 0 1 0 0 2 3 7 18 31 32 28 11 0 1 1 0 1 3 4 5 2 0 0 0 0 0 0 0 0 0 1 2 3 7 17 26 26 22 9 0 1 0 1 2 3 4 4 2 0 0 0 0 1 0 0 1 0 1 2 3 6 13 18 19 21 9 1 1 1 0 1 2 3 4 2 0 0 0 0 0 0 0 1 0 0 2 4 5 9 15 17 18 8 0 1 1 1 1 2 3 4 2 0 0 0 0 0 0 1 0 0 0 2 3 4 7 11 14 16 7 0 1 1 1 1 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 7 4 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 170.44 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.090 Region 9 Sum = 123590; Maximum = 1864.6; FM = 0.885 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 3 7 10 7 4 1 1 0 0 0 1 1 0 0 0 0 0 0 2 5 6 4 1 0 0 0 0 4 11 16 13 7 3 1 0 0 0 2 2 1 0 0 0 0 0 2 8 9 6 3 1 0 0 0 4 14 21 20 13 5 2 1 0 1 2 2 1 0 0 0 0 0 3 9 11 9 5 1 0 0 0 5 16 25 27 20 8 2 1 0 1 2 2 1 0 0 0 0 0 3 9 11 10 7 2 1 0 0 5 16 26 31 26 11 3 1 0 0 2 1 1 0 0 0 0 0 3 8 10 10 9 3 1 0 0 5 13 22 29 27 13 4 1 0 0 1 1 1 1 0 0 0 0 2 6 7 9 9 4 1 0 0 4 10 16 22 24 13 4 1 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 2 1 0 0 2 4 6 9 11 6 2 0 0 !Region 9: Section 4->6 1 3 8 8 6 4 2 1 0 1 3 9 12 12 8 4 1 0 0 1 4 8 10 10 7 3 1 3 12 20 23 21 12 5 1 0 2 10 21 35 41 27 12 4 1 1 4 12 24 33 27 17 9 2 4 14 26 36 36 21 8 2 0 3 11 28 55 68 47 21 6 1 1 5 16 37 53 44 26 13 3 4 15 31 50 51 32 13 3 1 2 12 33 74 91 67 31 9 1 1 5 20 49 67 57 34 15 3 4 17 36 61 64 41 16 3 1 2 12 39 84100 77 35 9 1 1 5 22 53 68 58 34 15 3 4 17 38 64 68 45 17 3 1 2 13 40 84 97 74 33 8 1 1 5 21 48 60 51 28 13 3 4 14 32 55 62 40 15 3 0 2 11 33 68 80 59 24 7 1 1 4 15 35 45 36 19 10 2 3 10 22 39 45 30 10 2 0 1 7 21 45 54 38 14 4 1 0 2 8 22 27 21 11 6 1 1 4 7 12 18 11 3 0 0 0 2 6 11 19 13 4 1 0 0 1 2 6 9 6 3 2 0 !Region 9: Section 7->9 0 0 1 3 5 8 7 5 1 0 0 0 1 2 4 5 4 1 0 0 0 0 1 1 2 1 0 0 1 4 9 15 18 19 13 3 0 0 1 2 6 9 12 9 2 0 0 0 0 1 3 3 3 1 0 1 6 12 21 24 23 16 4 0 0 1 3 6 10 13 10 3 0 0 0 0 1 2 3 2 1 0 1 6 14 23 26 24 17 5 0 0 1 2 6 9 11 9 3 0 0 0 0 1 2 2 2 1 0 1 5 13 21 23 20 16 4 0 0 1 2 4 7 9 8 3 0 0 0 0 1 1 1 1 1 0 1 3 10 16 17 16 13 4 0 0 0 1 3 4 6 7 2 0 0 0 0 0 0 1 1 0 0 1 2 5 9 10 10 9 3 0 0 0 0 1 2 4 4 2 0 0 0 0 0 0 1 1 0 0 0 1 3 4 5 6 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (207 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 207 0 207 4.3532 0.8636 20.401 126.436 Orientation ('UB') matrix: 0.1443862 0.0355138 -0.0035824 0.0295199 -0.0027798 0.0770713 0.0654074 -0.0771418 -0.0044265 A B C Alpha Beta Gamma Vol 6.2456 11.7689 13.0305 90.000 96.768 90.000 951.13 0.0003 0.0016 0.0006 0.000 0.003 0.000 0.19 Corrected for goodness of fit: 0.0007 0.0038 0.0015 0.000 0.007 0.000 0.46 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.848 96.074 24.076 Goniometer zeros (deg): 0.0000* 0.0627 0.0000* -0.0318 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1491 -0.9939 0.0687 -0.3339 -0.1717 0.8587 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.29630e+03 3.24445e+03 2.38 2 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 176 Average input ESD (pix, pix, deg): 0.14368 0.11965 0.05587 Goodness of fit: 2.68070 2.07191 2.22115 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 1.058 1.210 2.348 Average missing volume: 0.055 % with too much missing I: 3.226 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 4. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:07 Current XYZ spot size: 1.058 1.210 2.348 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): 0.148 0.140 0.334 Profile convolver halfwidth: 1.00 1.00 1.75 Background pixels updated = 97.36% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 3.05 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.05 1.000 2_0003 9 -0.05 -0.11 0.05 0.12 0.12 0.52 35254 69 0 0.57 23 2.30 3.11 3.05 1.000 3_0004 3 0.07 -0.20 -0.01 0.09 0.20 0.06 37891 62 0 0.77 32 2.25 3.28 2.75 1.000 4_0005 11 0.05 -0.14 -0.01 0.12 0.19 0.10 81827 90 0 0.73 28 2.08 3.47 2.59 1.000 5_0006 5 0.02 -0.15 0.00 0.10 0.16 0.06 34082 73 0 0.80 27 2.09 3.54 2.48 1.000 6_0007 9 0.01 -0.09 -0.07 0.18 0.14 0.19 52570 74 0 0.70 26 2.14 3.58 2.54 1.000 7_0008 8 0.08 -0.17 0.01 0.12 0.18 0.18 10465 34 0 0.60 28 2.07 3.51 2.48 1.000 8_0009 12 0.01 -0.09 -0.02 0.06 0.12 0.08 80493 116 0 0.76 28 2.09 3.57 2.47 1.000 9_0010 7 -0.19 -0.08 0.12 0.28 0.22 0.18 9909.4 33 14 0.56 26 2.09 3.56 2.56 1.000 10_0011 12 0.07 -0.10 0.02 0.11 0.14 0.10 59184 77 0 0.83 27 2.10 3.57 2.53 1.000 11_0012 10 0.01 -0.14 -0.12 0.14 0.22 0.25 14879 44 0 0.81 27 2.08 3.51 2.50 1.000 12_0013 10 0.11 -0.07 -0.04 0.55 0.23 0.11 65681 68 0 0.57 28 2.08 3.56 2.44 1.000 13_0014 11 0.05 -0.08 -0.06 0.09 0.10 0.24 78488 97 0 0.79 28 2.12 3.62 2.49 1.000 14_0015 2 -0.01 0.03 0.17 0.04 0.03 0.18 66121 104 0 0.73 30 2.11 3.61 2.51 1.000 15_0016 8 0.03 -0.05 0.00 0.09 0.09 0.07 56799 96 0 0.64 28 2.11 3.60 2.48 1.000 16_0017 13 0.11 -0.01 0.01 0.48 0.28 0.09 49543 78 0 0.66 26 2.11 3.61 2.53 1.000 17_0018 12 -0.03 -0.11 -0.06 0.14 0.16 0.18 10378 37 0 0.67 26 2.11 3.59 2.57 1.000 18_0019 11 0.03 -0.05 -0.00 0.09 0.12 0.06 65212 89 0 0.79 29 2.11 3.62 2.57 1.000 19_0020 12 0.02 -0.07 0.04 0.09 0.12 0.20 51208 83 0 0.72 27 2.12 3.61 2.58 1.000 Background pixels updated = 96.95% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 -0.06 -0.06 0.04 0.13 0.14 0.09 25995 55 0 0.76 28 2.10 3.60 2.58 1.000 21_0022 6 -0.07 -0.03 -0.07 0.15 0.12 0.28 158266 156 0 0.79 26 2.11 3.60 2.61 1.000 22_0023 5 -0.02 -0.01 0.02 0.17 0.07 0.15 22784 41 0 0.76 28 2.10 3.59 2.59 1.000 23_0024 13 -0.00 -0.05 0.03 0.09 0.09 0.12 19173 49 0 0.65 27 2.09 3.59 2.58 1.000 24_0025 8 0.00 -0.05 -0.07 0.10 0.10 0.21 49132 76 0 0.81 28 2.09 3.58 2.54 1.000 25_0026 16 0.06 -0.06 -0.01 0.16 0.14 0.07 64883 83 0 0.79 29 2.08 3.58 2.54 1.000 I/Sigma = 59.72 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 1 Sum = 22294.6; Maximum = 285.963; FM = 0.788 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 1 0 0 6 12 10 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 4 6 4 2 1 1 1 0 0 12 24 22 13 7 3 2 1 0 1 1 0 0 0 0 0 0 0 4 7 6 3 2 1 1 1 0 13 29 31 21 11 5 3 1 0 1 1 0 0 0 0 0 0 0 4 8 7 5 3 1 1 1 0 13 35 41 30 17 7 3 2 1 0 0 0 0 0 1 0 0 0 3 7 7 5 3 2 1 1 0 11 33 40 31 18 8 3 2 0 0 0 0 0 0 0 0 0 0 3 5 5 3 2 2 1 0 0 8 23 29 22 13 6 3 1 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 1 1 0 0 5 12 16 13 8 4 2 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 0 2 6 9 8 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 2 1 1 1 0 !Region 1: Section 4->6 7 17 19 15 12 7 4 2 0 3 9 16 19 23 17 11 7 2 1 2 6 11 18 16 12 9 2 13 33 42 37 25 14 8 4 1 6 18 34 46 44 36 25 14 4 2 5 12 23 34 38 32 20 5 13 40 55 53 38 22 12 7 2 6 21 41 58 63 53 38 25 8 2 5 13 27 43 52 49 33 9 14 49 72 74 57 33 16 10 3 6 25 52 80 90 77 56 35 10 2 6 15 35 58 73 73 49 12 13 48 74 78 62 37 18 10 3 6 26 56 87100 87 63 39 11 2 6 17 39 65 84 85 56 14 10 36 56 59 45 26 15 8 2 5 22 45 69 76 67 52 32 9 2 6 15 32 52 69 74 49 13 6 21 33 37 27 16 9 5 2 3 14 29 45 47 41 34 22 6 1 4 11 22 34 45 51 37 10 3 10 18 21 17 10 6 4 1 2 8 17 27 30 27 23 16 5 1 3 7 14 23 30 36 28 8 1 3 5 7 6 4 2 2 1 1 2 6 11 12 9 9 6 2 0 1 3 6 9 10 14 11 4 !Region 1: Section 7->9 0 0 1 3 5 5 5 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 15 15 10 3 0 1 1 1 1 2 2 2 0 0 1 0 0 0 1 0 0 0 0 1 2 4 10 18 23 17 4 0 1 1 1 1 2 3 3 1 0 0 1 0 0 0 0 0 0 1 2 2 5 12 25 34 25 6 0 1 1 1 1 2 4 4 1 0 0 0 0 0 0 0 0 0 1 2 2 5 14 29 41 30 7 0 1 1 1 1 3 5 5 2 0 0 0 0 0 1 0 0 0 1 1 3 5 13 26 37 28 8 0 1 1 1 2 3 5 6 2 0 0 1 0 0 0 0 1 0 1 1 2 4 9 18 28 24 7 0 1 1 1 1 2 4 6 2 0 0 0 0 0 1 1 1 0 1 1 2 3 7 13 20 20 7 0 1 0 1 1 2 4 7 3 0 0 0 0 0 1 1 1 1 0 1 1 1 2 4 8 8 3 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 284.44 Thresh = 0.020 Blend = F #Contributing = 60 InitialProfileWt = 0.053 Region 2 Sum = 389653; Maximum = 11991.3; FM = 0.966 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 4 10 12 4 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 5 9 5 1 0 0 0 1 6 19 32 16 2 0 0 0 0 0 1 0 0 0 0 0 0 1 2 6 12 10 2 0 0 0 1 7 23 41 31 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 7 1 0 0 0 1 6 19 30 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 0 0 0 0 1 3 10 13 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 2: Section 4->6 0 0 1 2 3 1 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 8 10 4 1 0 0 0 0 2 8 13 7 2 0 0 0 0 1 4 7 5 2 1 0 0 1 6 19 28 12 2 0 0 0 1 4 19 40 22 5 1 0 0 0 2 9 27 17 4 1 0 0 2 10 36 60 33 6 1 0 0 1 8 42 88 57 14 1 0 0 0 3 25 61 43 12 2 0 0 2 15 48 71 52 13 1 0 0 1 16 67100 83 28 2 0 0 0 9 46 71 61 23 3 0 0 2 14 41 55 38 9 1 0 0 2 17 61 81 61 17 1 0 0 1 9 42 59 46 15 2 0 0 1 6 20 28 13 2 0 0 0 1 6 26 45 22 4 1 0 0 0 3 16 33 18 5 1 0 0 1 2 5 7 3 1 0 0 0 0 2 6 10 5 2 0 0 0 0 1 3 7 5 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 !Region 2: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 7 2 1 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 9 19 14 5 1 0 0 0 0 4 8 5 2 1 0 0 0 0 0 1 1 0 0 0 0 0 3 16 23 16 7 2 0 0 0 1 6 8 5 2 1 0 0 0 0 1 1 1 0 0 0 0 0 2 12 18 13 5 1 0 0 0 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 7 3 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 210.77 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.069 Region 3 Sum = 170065; Maximum = 5547.16; FM = 0.947 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 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 7 8 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 2 7 12 14 10 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 1 4 10 16 17 10 3 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 8 13 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 5 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 !Region 3: Section 4->6 0 0 1 2 3 2 1 0 0 0 0 1 2 5 5 2 0 0 0 0 0 1 3 4 2 0 0 0 1 3 6 10 7 3 1 0 0 1 3 8 17 15 7 2 0 0 0 1 4 11 11 6 2 0 0 1 5 17 26 20 7 1 0 0 1 5 20 44 36 15 3 0 0 1 2 10 27 26 12 3 0 0 3 12 34 52 39 13 2 0 0 2 12 48 89 68 24 4 0 0 1 5 26 57 45 18 4 0 1 5 21 46 58 41 12 1 0 0 3 24 69100 75 25 3 0 0 1 11 39 63 49 18 3 0 1 6 18 39 43 22 6 1 0 0 4 24 63 79 46 14 2 0 0 2 13 36 50 32 12 2 0 1 5 10 19 20 8 3 1 0 0 4 13 34 42 21 7 1 0 0 1 8 21 29 17 6 1 0 1 3 5 7 6 3 1 0 0 0 2 7 13 16 9 3 1 0 0 1 4 9 13 8 3 1 0 0 1 2 2 2 1 0 0 0 0 1 2 4 4 2 1 0 0 0 0 1 2 3 2 1 0 0 !Region 3: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 7 4 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 12 6 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 12 10 5 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 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 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 39.36 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.344 Region 4 Sum = 10031.6; Maximum = 135.417; FM = 0.782 !Region 4: Section 1->3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 3 5 4 2 2 1 1 0 0 1 0 1 0 0 0 1 0 1 2 1 2 1 1 0 1 1 3 13 15 13 6 3 1 1 1 0 1 0 0 0 0 0 1 0 1 3 2 2 1 0 0 2 0 4 19 23 21 10 3 2 2 0 0 0 1 1 1 0 0 1 0 0 2 3 3 2 1 1 2 1 2 17 26 26 16 6 3 2 1 0 0 0 0 0 0 1 0 0 0 2 2 2 1 0 1 1 1 2 12 23 22 15 8 5 3 1 0 1 1 0 0 1 1 0 0 1 2 3 2 1 1 1 0 1 3 10 17 16 11 7 3 1 1 0 1 1 1 1 1 1 0 0 1 2 2 2 2 1 1 1 0 3 8 13 11 9 6 2 1 1 0 0 1 1 0 0 1 1 0 0 1 2 3 1 0 1 1 0 2 7 10 8 7 5 2 1 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 5 3 3 3 1 0 0 !Region 4: Section 4->6 1 8 15 14 8 5 2 1 1 1 7 23 31 23 14 6 3 1 0 3 15 26 25 18 9 4 1 7 32 40 39 23 12 4 3 1 5 26 49 67 55 34 18 7 1 1 8 28 51 54 43 29 11 1 9 45 57 57 34 15 8 3 0 6 32 54 76 67 43 25 10 1 1 7 24 49 57 49 34 14 2 5 42 64 68 51 26 13 5 1 4 30 54 84 90 62 37 16 2 1 7 18 49 70 62 47 21 3 4 28 56 59 54 37 20 9 2 3 21 48 74100 91 59 29 4 1 5 17 42 75 86 68 37 5 4 21 37 42 42 35 19 10 2 3 15 31 52 82 93 67 38 7 1 4 12 29 62 87 77 47 8 4 16 27 27 30 26 14 9 3 2 11 21 33 53 67 55 34 7 1 3 7 19 39 64 66 44 8 4 14 20 20 20 20 13 6 1 2 10 16 24 34 47 41 25 4 1 4 6 14 26 44 46 31 5 1 6 9 8 8 9 5 2 0 1 4 7 9 13 19 14 6 1 0 1 3 5 9 17 16 8 1 !Region 4: Section 7->9 0 1 4 6 9 10 6 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 12 18 22 19 7 1 0 1 3 2 3 5 5 2 0 0 1 1 0 1 1 1 1 0 0 2 5 10 16 23 20 8 1 0 1 1 1 2 4 5 3 0 0 0 0 0 1 0 0 1 0 0 2 4 10 17 22 24 12 1 0 0 1 1 3 3 6 3 0 0 0 0 0 1 0 0 0 0 0 1 4 8 16 25 29 19 2 0 0 1 2 1 2 5 3 0 0 0 0 1 0 0 0 0 0 0 1 3 5 13 24 30 21 3 0 0 0 2 2 2 4 4 1 0 0 0 1 1 0 0 1 0 0 0 1 4 8 18 26 20 4 0 0 -1 0 1 2 4 4 0 0 0 0 0 1 1 0 1 -1 0 1 1 3 6 13 17 14 3 0 -1 -1 1 1 2 3 3 0 0 -1 -1 0 1 0 0 0 0 0 0 1 1 2 5 6 4 1 0 0 0 0 0 1 1 1 0 0 0 -1 -1 0 0 0 0 0 I/Sigma = 27.40 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 3143.17; Maximum = 42.3684; FM = 0.766 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 3 4 3 3 1 1 1 0 0 1 1 1 1 2 1 0 0 1 5 5 5 5 5 5 2 1 3 14 13 12 10 6 6 3 4 1 1 0 0 1 1 1 0 0 2 6 6 4 4 3 3 1 1 4 18 26 20 12 8 5 3 2 0 0 0 0 0 0 0 0 0 0 4 9 7 3 1 0 0 1 2 15 39 27 12 8 6 2 2 1 1 0 0 1 0 0 0 0 1 4 6 4 4 2 1 2 1 1 8 24 21 11 9 8 5 1 0 2 1 1 1 0 0 1 0 1 4 4 5 5 1 0 3 1 1 5 13 14 11 6 6 6 2 0 0 0 1 1 1 0 0 0 0 2 3 3 3 3 1 2 1 1 5 10 8 6 6 4 5 2 0 0 0 0 0 1 1 1 0 0 1 0 0 1 4 2 3 1 0 2 4 3 2 5 2 4 2 0 1 0 0 0 1 1 0 0 0 2 0 -1 0 2 1 0 0 0 2 2 1 0 2 1 1 0 !Region 5: Section 4->6 2 12 15 9 9 6 3 2 0 2 13 23 24 22 16 12 6 1 0 4 15 22 21 15 15 9 1 9 38 30 23 24 18 12 6 3 9 39 35 41 52 39 25 12 1 3 11 18 34 47 34 24 14 2 10 50 58 42 30 28 16 9 1 10 51 56 54 64 53 33 18 2 3 15 18 33 56 43 29 17 2 5 43 85 61 38 37 26 11 2 6 44 82 69 82 83 54 30 3 3 16 28 33 69 71 45 30 4 3 29 68 57 41 42 38 17 2 4 32 72 67 88100 79 42 8 2 10 26 31 75 88 64 43 10 1 19 38 39 29 30 33 21 5 0 21 40 48 59 78 78 56 11 -1 6 14 23 51 71 67 57 13 2 15 26 21 15 17 19 13 4 2 16 26 25 34 51 52 33 8 1 5 9 12 33 51 48 34 10 0 6 16 17 9 11 13 8 3 1 8 18 21 24 35 34 19 5 1 5 8 10 24 37 32 21 6 0 3 8 5 3 5 6 4 1 0 3 9 7 9 14 15 8 1 0 2 3 4 8 13 15 7 1 !Region 5: Section 7->9 0 0 4 5 7 6 9 6 0 0 0 0 0 2 2 4 2 0 0 0 0 0 0 1 1 0 0 0 1 6 9 13 14 15 11 1 -1 0 2 0 1 4 7 6 0 -1 0 0 0 0 1 1 1 0 0 3 2 5 15 15 15 11 1 0 2 2 -1 1 3 4 6 1 0 0 1 0 0 0 0 2 0 3 6 4 7 18 22 14 13 3 2 3 2 1 2 6 2 3 1 0 1 1 0 1 2 0 0 0 1 5 6 7 20 23 17 21 8 2 3 2 2 2 3 0 5 3 1 1 0 1 1 1 -1 0 0 0 2 2 4 13 18 18 23 10 2 3 0 -1 1 2 1 4 4 1 1 -1 -1 0 1 0 0 0 1 1 1 4 13 16 12 15 8 1 1 -1 1 2 2 -1 3 2 0 1 0 0 0 0 0 0 0 1 2 3 3 10 12 12 14 4 0 1 1 0 2 2 3 4 1 0 0 0 0 0 0 0 0 0 0 1 0 1 2 5 8 5 1 0 0 0 -1 0 2 3 2 0 0 0 0 0 0 1 1 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.02086; Maximum = 0.0108761; FM = 0.761 !Region 6: Section 1->3 0 0 0 0 1 0 0 0 0 1 2 2 1 1 0 1 0 0 3 10 11 8 7 4 2 1 0 1 1 1 1 1 1 1 0 0 2 6 5 4 4 3 3 1 1 8 26 22 19 15 9 6 3 2 1 1 0 0 1 1 0 0 0 3 7 6 4 3 2 2 1 1 8 28 31 26 19 12 6 3 1 1 1 0 0 1 0 0 0 0 2 4 7 5 3 1 1 1 1 7 29 43 37 25 14 8 4 2 0 1 0 0 1 0 0 0 0 1 4 5 4 3 2 1 1 1 7 27 37 37 27 15 9 5 1 0 1 0 1 1 0 0 1 0 1 3 4 4 4 1 0 2 0 4 17 27 29 20 10 6 5 1 0 0 0 0 1 0 -1 0 0 0 1 2 1 2 2 0 1 1 3 10 17 16 10 6 3 3 2 0 0 0 0 0 1 0 1 0 0 1 0 0 1 3 1 2 1 1 4 8 7 5 5 2 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 2 3 2 2 2 1 1 0 !Region 6: Section 4->6 5 20 25 20 18 11 5 2 0 3 14 24 26 24 18 11 5 1 1 3 11 17 17 15 13 8 2 14 49 47 43 38 25 16 7 3 9 36 41 49 52 38 29 18 3 2 9 17 29 37 32 32 28 6 13 55 65 60 49 35 22 13 3 9 41 53 61 67 55 45 37 8 2 11 17 29 46 46 54 56 13 11 58 92 90 68 49 34 17 4 7 42 77 87 89 86 74 50 9 3 13 25 35 60 79 89 76 16 11 57 95 95 72 53 40 19 3 7 41 84 91 96100 88 51 10 2 11 26 35 68 95100 76 17 7 41 70 72 50 37 31 17 4 4 33 61 67 69 76 73 48 10 1 9 19 27 52 76 82 65 16 5 26 41 39 26 20 16 11 3 4 23 36 36 42 48 46 30 7 2 8 12 17 38 54 58 44 12 2 11 21 22 15 12 11 7 2 2 11 20 24 28 32 30 19 5 1 6 8 13 27 37 39 30 8 0 3 8 7 6 5 4 3 1 0 3 8 9 11 13 13 8 1 0 1 3 5 10 14 17 11 2 !Region 6: Section 7->9 0 0 3 5 6 7 7 6 1 0 0 1 0 1 2 3 2 0 0 0 0 0 0 0 1 0 0 0 2 5 8 11 14 18 18 4 -1 1 2 1 1 3 5 5 0 0 0 1 0 0 1 1 1 0 0 3 3 6 13 18 28 33 8 0 1 2 1 1 3 5 6 1 0 1 1 1 0 1 1 2 0 2 5 5 8 17 29 41 43 11 1 2 2 2 2 5 4 6 2 0 0 1 1 1 1 1 1 0 1 4 5 8 20 34 44 47 13 1 2 2 2 2 3 3 8 3 0 0 0 1 1 1 0 0 0 1 2 4 6 16 27 36 37 13 1 2 1 0 2 2 4 7 4 1 1 0 0 1 0 1 0 0 1 2 3 6 16 21 26 29 10 1 1 0 1 3 3 3 6 3 0 0 -1 0 1 1 1 0 0 1 2 3 5 11 16 20 23 7 0 1 1 1 2 2 4 6 2 0 1 0 0 0 0 1 1 0 0 1 1 1 4 6 11 9 2 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 1 0 I/Sigma = 43.98 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 10573.1; Maximum = 136.211; FM = 0.668 !Region 7: Section 1->3 0 0 0 0 1 0 0 0 0 0 1 2 1 1 0 0 0 0 4 13 14 10 9 5 2 0 0 1 1 1 0 1 0 0 0 0 2 4 3 2 2 0 0 0 0 9 27 22 20 17 10 5 2 1 1 1 1 1 1 0 0 0 0 2 4 2 2 2 1 0 0 0 7 26 22 23 20 12 6 3 1 1 1 0 0 0 0 0 1 1 1 2 1 1 1 1 0 1 1 8 29 29 34 30 17 8 4 1 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 0 9 33 34 40 33 17 7 4 1 0 0 0 0 1 0 0 1 0 0 1 1 1 2 0 0 1 0 5 20 30 34 22 11 5 3 1 0 0 0 -1 0 0 -1 0 0 0 0 0 -1 0 0 -2 0 0 3 10 16 18 10 4 2 2 1 0 0 -1 0 1 0 0 0 0 0 1 -1 -1 1 0 0 1 0 1 5 8 7 6 3 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 3 2 1 0 1 0 !Region 7: Section 4->6 6 21 26 23 21 13 5 1 0 2 10 17 18 16 12 6 2 1 0 1 4 6 5 8 5 4 2 13 44 45 47 40 25 15 6 2 5 22 31 37 30 21 22 17 4 1 4 9 13 11 13 26 32 7 10 41 47 54 51 31 21 14 3 4 20 31 42 42 32 41 43 10 0 4 9 13 16 27 58 79 20 12 51 66 86 72 46 33 18 4 5 26 46 68 57 54 68 54 11 1 6 13 21 25 53100100 23 14 64 87 99 76 46 31 15 3 7 37 68 76 60 59 66 42 8 2 8 18 22 31 64 98 84 18 9 47 76 77 51 31 20 9 2 6 35 61 57 45 43 41 23 5 2 10 18 19 31 49 64 51 13 6 26 41 40 26 15 9 5 1 4 22 32 29 29 26 23 15 3 3 8 11 12 27 35 44 38 9 2 12 19 18 15 8 5 4 1 1 11 14 15 18 16 14 11 3 1 5 6 9 19 24 29 27 7 0 2 5 6 6 3 1 2 1 0 1 4 5 8 6 5 5 1 0 1 2 3 8 10 13 10 2 !Region 7: Section 7->9 0 0 1 2 1 4 3 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 5 4 7 14 19 5 0 1 1 2 1 2 2 2 0 0 0 1 1 0 0 1 1 0 0 2 3 4 5 13 30 46 13 0 1 2 2 1 2 3 5 1 0 1 1 1 0 1 1 1 0 1 3 4 6 9 25 53 61 17 0 0 1 2 2 2 4 7 2 0 -1 1 1 1 0 1 1 0 1 2 3 5 13 31 54 58 15 0 0 0 2 2 2 5 9 3 0 0 0 1 1 0 1 1 1 1 2 4 5 13 24 39 39 11 0 0 1 1 2 1 4 6 2 0 0 0 0 1 -1 1 0 0 2 2 4 6 13 19 29 32 8 0 0 0 1 3 2 5 7 2 0 -1 -1 0 2 1 2 1 0 0 2 3 4 9 13 21 23 7 0 1 1 1 1 1 4 5 2 0 1 0 0 1 0 1 1 0 0 1 1 1 4 6 10 9 2 0 0 1 1 0 1 3 2 1 0 1 1 1 0 0 1 1 0 I/Sigma = 70.54 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 8 Sum = 26346.6; Maximum = 375.193; FM = 0.788 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 8 10 7 4 2 1 0 0 1 1 1 1 1 1 0 0 0 3 6 4 3 1 1 1 0 0 6 20 21 15 8 4 2 1 0 1 1 0 0 0 0 0 0 0 3 7 4 3 1 1 1 1 0 7 22 21 14 9 5 3 1 1 1 1 0 0 0 1 1 0 0 3 7 4 2 1 1 1 1 0 6 22 24 17 13 7 3 1 0 1 1 0 0 0 0 0 0 0 3 6 4 2 1 1 1 1 1 6 22 28 22 15 7 3 2 1 1 0 1 0 0 0 0 0 0 2 5 4 2 1 1 1 1 0 6 22 27 20 11 4 2 1 1 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 1 1 0 4 15 16 11 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 6 7 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 !Region 8: Section 4->6 2 12 20 20 14 7 4 1 0 1 7 14 20 16 12 10 3 0 0 1 3 7 7 9 12 5 1 6 29 44 39 30 21 13 4 1 3 16 32 37 37 38 37 18 3 1 3 7 12 18 35 47 30 6 8 32 44 42 40 33 18 7 2 4 19 33 43 59 69 55 30 8 1 4 8 16 36 66 73 49 13 8 32 54 60 60 39 18 7 2 4 19 42 70 90 82 54 28 8 1 4 10 28 55 81 74 48 14 8 37 71 81 69 35 14 5 1 5 23 59 95100 70 40 21 6 1 4 16 39 60 69 56 37 12 8 42 75 75 51 22 8 4 1 5 28 68 89 73 45 25 14 4 1 5 20 38 44 45 37 28 9 7 31 51 46 27 11 5 2 1 4 23 51 57 42 25 15 9 3 1 5 17 26 27 27 25 20 7 3 14 22 21 12 6 3 1 0 2 12 25 28 23 15 10 6 2 0 3 10 14 18 18 18 16 5 0 2 5 5 4 2 1 1 0 0 2 7 8 7 6 4 3 1 0 1 3 5 6 7 7 7 2 !Region 8: Section 7->9 0 0 0 1 2 5 6 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 16 25 17 4 0 1 1 1 2 3 4 3 1 0 0 0 0 0 1 0 0 0 0 1 2 3 11 29 38 28 8 0 0 0 0 2 4 5 4 2 0 0 0 0 0 0 0 1 0 0 1 2 5 15 35 40 29 9 0 0 0 1 1 4 6 6 2 0 0 0 0 0 0 1 1 0 0 1 2 5 15 30 31 25 9 0 0 1 1 1 3 5 5 3 0 0 0 0 0 0 0 1 1 0 1 3 5 11 20 22 21 8 0 1 1 1 1 2 4 5 3 0 0 0 0 0 0 1 1 1 0 1 3 4 8 13 17 17 7 0 1 1 1 1 2 4 5 3 0 0 0 0 0 0 0 1 1 0 1 2 3 6 9 13 14 6 0 0 0 0 1 2 3 5 3 0 0 0 0 0 0 0 1 1 0 0 1 1 2 4 5 6 2 0 0 0 0 1 1 1 3 1 0 0 0 0 0 0 0 1 0 I/Sigma = 179.27 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.118 Region 9 Sum = 149951; Maximum = 3764.98; FM = 0.935 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 4 4 3 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 2 6 8 7 3 1 0 0 0 0 1 1 1 0 0 0 0 0 1 4 6 5 2 0 0 0 0 2 7 14 15 8 2 1 0 0 0 1 2 1 0 0 0 0 0 1 6 9 8 4 1 0 0 0 2 8 17 24 16 5 1 0 0 0 1 2 1 0 0 0 0 0 1 6 9 9 6 2 0 0 0 2 8 17 25 22 7 1 0 0 0 1 1 1 0 0 0 0 0 1 4 6 7 7 3 1 0 0 1 6 11 18 19 8 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 4 5 2 1 0 0 1 4 6 10 13 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 4 2 1 0 0 !Region 9: Section 4->6 0 1 4 4 3 1 0 0 0 0 1 4 6 5 2 1 0 0 0 0 2 3 4 3 2 1 0 1 5 11 13 9 4 1 0 0 0 3 12 19 18 10 3 1 0 0 1 6 12 14 11 6 3 1 2 6 15 23 21 10 3 1 0 1 4 16 33 43 25 8 2 0 0 2 8 22 36 27 13 5 1 2 7 19 38 43 22 5 1 0 1 4 18 54 80 51 15 3 0 0 1 10 36 61 47 21 7 1 2 7 23 50 61 34 7 1 0 1 4 21 67100 66 18 3 0 0 1 10 41 67 51 22 8 2 1 6 21 48 61 34 7 1 0 1 3 20 60 88 57 14 3 0 0 1 8 31 51 37 15 6 1 1 5 14 30 40 22 4 1 0 0 2 12 35 52 30 7 2 0 0 1 4 16 26 17 8 4 1 1 2 6 13 17 9 2 0 0 0 1 5 12 17 10 3 1 0 0 0 2 5 8 5 3 2 1 0 1 1 3 4 2 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 1 1 0 !Region 9: Section 7->9 0 0 0 1 2 3 3 2 0 0 0 0 1 1 3 3 1 0 0 0 0 0 1 1 1 1 0 0 0 1 4 8 11 10 5 1 0 0 0 1 4 8 8 4 1 0 0 0 0 1 3 3 1 0 0 0 2 8 16 20 16 8 2 0 0 0 2 5 11 11 6 2 0 0 0 0 1 3 3 2 1 0 0 3 12 23 26 20 11 3 0 0 0 2 6 11 10 7 2 0 0 0 0 1 2 2 2 1 0 0 2 11 21 22 18 11 3 0 0 0 1 4 7 8 7 2 0 0 0 0 0 1 1 1 1 0 0 1 6 12 13 12 8 2 0 0 0 1 2 4 5 4 2 0 0 0 0 0 0 1 1 0 0 0 1 2 4 5 6 5 2 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (207 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 207 0 207 4.3523 0.8635 20.405 126.442 Orientation ('UB') matrix: 0.1443611 0.0355047 -0.0035779 0.0294854 -0.0027755 0.0770885 0.0653600 -0.0771674 -0.0044189 A B C Alpha Beta Gamma Vol 6.2474 11.7663 13.0277 90.000 96.765 90.000 950.98 0.0003 0.0016 0.0006 0.000 0.003 0.000 0.19 Corrected for goodness of fit: 0.0007 0.0035 0.0014 0.000 0.006 0.000 0.42 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.842 96.066 24.065 Goniometer zeros (deg): 0.0000* 0.0650 0.0000* -0.0400 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1006 -1.1109 0.0691 -0.2896 -0.1965 0.8572 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.59370e+03 2.83482e+03 2.20 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 187 Average input ESD (pix, pix, deg): 0.14224 0.12358 0.04860 Goodness of fit: 2.61109 1.64174 2.15150 Old XYZ spot size: 1.058 1.210 2.348 New XYZ spot size: 1.373 1.683 2.545 Average missing volume: 0.045 % with too much missing I: 3.226 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 5. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:08 Current XYZ spot size: 1.373 1.683 2.545 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): 0.192 0.195 0.351 Profile convolver halfwidth: 1.00 1.00 1.67 Background pixels updated = 97.04% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 3.30 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 3.30 1.000 2_0003 6 -0.02 -0.05 -0.07 0.08 0.10 0.11 54607 91 0 0.63 23 2.21 3.60 3.30 1.000 3_0004 3 0.03 -0.01 0.01 0.06 0.07 0.03 40981 65 0 0.77 32 2.21 3.73 2.94 1.000 4_0005 11 0.05 -0.09 -0.01 0.11 0.16 0.09 84742 92 0 0.74 30 2.06 3.80 2.75 1.000 5_0006 5 -0.01 -0.09 -0.00 0.08 0.10 0.05 36423 75 0 0.82 28 2.04 3.94 2.64 1.000 6_0007 9 -0.06 -0.06 -0.01 0.22 0.10 0.16 55553 77 0 0.70 26 2.08 3.94 2.72 1.000 7_0008 9 0.05 -0.11 -0.01 0.11 0.12 0.09 11666 37 0 0.58 28 1.98 3.76 2.66 1.000 8_0009 11 0.01 -0.07 -0.03 0.06 0.11 0.09 88253 123 0 0.80 30 2.03 3.85 2.68 1.000 9_0010 7 -0.17 -0.07 0.11 0.29 0.24 0.17 11094 34 14 0.59 28 2.02 3.85 2.75 1.000 10_0011 12 0.01 -0.09 0.01 0.16 0.16 0.09 61716 79 0 0.83 30 2.07 3.87 2.72 1.000 11_0012 10 0.02 -0.09 -0.15 0.17 0.17 0.34 16535 46 0 0.81 27 2.04 3.80 2.70 1.000 12_0013 9 0.13 -0.03 -0.03 0.57 0.23 0.07 76061 77 11 0.61 29 2.08 3.88 2.65 1.000 13_0014 12 0.06 -0.06 -0.07 0.10 0.08 0.20 76911 93 0 0.77 28 2.13 3.92 2.67 1.000 14_0015 2 -0.03 0.06 0.19 0.06 0.07 0.19 66737 105 0 0.73 30 2.12 3.91 2.71 1.000 15_0016 8 0.04 -0.03 0.01 0.09 0.06 0.07 59449 98 0 0.65 28 2.11 3.89 2.68 1.000 16_0017 13 0.15 0.05 -0.00 0.59 0.38 0.11 52223 81 0 0.66 27 2.10 3.92 2.73 1.000 17_0018 12 -0.01 -0.08 -0.04 0.22 0.16 0.17 11693 39 0 0.68 26 2.10 3.89 2.77 1.000 18_0019 11 0.02 -0.02 0.01 0.08 0.10 0.06 68564 91 0 0.79 31 2.10 3.91 2.77 1.000 19_0020 12 0.03 -0.06 0.00 0.10 0.10 0.13 53815 85 0 0.73 27 2.10 3.90 2.77 1.000 Background pixels updated = 96.57% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 -0.02 -0.05 0.01 0.11 0.11 0.07 27991 57 0 0.76 28 2.08 3.88 2.79 1.000 21_0022 5 -0.10 -0.01 -0.08 0.14 0.10 0.23 190005 181 0 0.84 27 2.09 3.90 2.81 1.000 22_0023 7 0.07 0.02 0.01 0.25 0.11 0.16 18585 36 0 0.69 29 2.08 3.89 2.78 1.000 23_0024 12 0.01 -0.03 0.02 0.10 0.07 0.12 23098 56 0 0.69 27 2.07 3.89 2.78 1.000 24_0025 8 0.01 0.01 -0.04 0.12 0.07 0.16 50541 77 0 0.82 28 2.06 3.89 2.75 1.000 25_0026 16 0.06 -0.03 -0.02 0.14 0.07 0.06 66860 85 0 0.80 31 2.05 3.88 2.74 1.000 I/Sigma = 63.90 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.053 Region 1 Sum = 28173.7; Maximum = 503.708; FM = 0.848 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 5 16 16 10 4 1 1 0 0 0 0 0 0 0 0 0 0 0 2 6 4 2 1 1 1 0 0 7 21 22 14 6 2 1 1 0 0 1 0 0 0 0 0 0 0 3 6 5 3 2 1 1 0 0 7 24 31 24 11 4 2 1 0 0 1 0 0 0 0 0 0 0 2 5 5 4 2 1 1 1 0 6 21 34 30 15 5 2 1 1 0 0 0 0 0 0 0 0 0 1 3 4 3 2 1 0 1 0 3 14 25 22 11 4 2 1 1 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 0 0 1 6 10 10 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 1 2 4 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 0 1 0 0 !Region 1: Section 4->6 2 7 10 10 6 3 1 0 0 1 3 9 13 12 8 5 1 0 0 1 3 6 10 9 6 2 1 6 20 29 28 18 8 4 2 0 2 9 22 36 37 25 13 5 1 1 3 7 17 28 28 16 6 2 7 26 39 38 24 11 5 2 1 3 12 27 45 46 34 19 8 2 1 3 8 21 34 38 26 11 3 7 28 54 61 43 20 9 4 1 2 12 34 63 74 57 34 15 3 1 3 9 25 47 59 47 21 4 5 27 62 76 59 29 13 6 1 2 13 41 80100 83 51 22 4 1 4 10 32 62 86 70 29 5 3 20 50 60 45 22 10 4 1 2 11 35 66 80 67 42 18 3 1 3 9 28 52 74 62 27 6 2 9 22 30 23 12 6 3 1 1 6 18 36 42 36 25 12 3 1 2 6 17 30 43 39 21 6 1 3 9 14 12 7 4 2 1 1 3 9 19 23 22 16 8 2 0 1 4 9 17 27 27 16 5 0 1 3 5 5 3 2 1 0 0 1 3 7 9 8 7 4 1 0 0 1 3 6 10 11 7 2 !Region 1: Section 7->9 0 1 1 1 3 4 3 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 11 8 4 1 1 1 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3 8 14 12 6 2 0 1 1 1 1 1 2 1 1 0 1 1 0 0 0 0 0 0 0 1 2 3 9 19 21 10 3 0 1 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 1 1 2 4 12 29 32 14 4 0 1 1 1 1 2 4 3 2 0 0 0 0 0 0 0 0 0 1 1 2 4 11 26 31 16 5 0 1 1 1 1 2 4 4 2 0 0 0 0 0 0 0 0 0 0 1 2 3 7 17 22 15 6 0 1 1 1 1 2 5 5 3 0 0 0 0 0 0 1 1 1 0 1 1 2 5 11 17 13 6 0 0 0 0 1 2 4 5 3 0 0 0 0 0 0 0 1 1 0 0 0 1 2 5 8 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 283.56 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.053 Region 2 Sum = 400889; Maximum = 21263.4; FM = 0.912 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 4 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 2 0 0 0 0 0 2 11 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 10 6 0 0 0 0 0 3 17 37 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 3 0 0 0 0 0 3 12 21 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 2 4 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 9 13 4 1 0 0 0 0 1 8 19 8 1 0 0 0 0 0 4 11 6 1 0 0 0 0 4 23 44 18 2 0 0 0 0 3 26 68 34 4 0 0 0 0 1 14 45 25 4 0 0 0 0 6 38 66 37 4 0 0 0 0 6 54100 67 9 0 0 0 0 3 34 68 47 8 1 0 0 0 5 27 43 20 2 0 0 0 0 5 39 68 35 4 0 0 0 0 2 23 47 27 4 1 0 0 0 2 7 11 3 1 0 0 0 0 1 8 18 6 1 0 0 0 0 1 4 12 6 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 13 8 2 0 0 0 0 0 2 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 10 18 11 3 1 0 0 0 0 4 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 12 8 2 1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 208.80 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.069 Region 3 Sum = 179574; Maximum = 9470.27; FM = 0.916 !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 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 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 9 12 7 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 1 0 0 0 0 1 6 14 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 2 5 9 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 4 2 1 0 0 0 0 1 3 7 6 2 1 0 0 0 0 2 5 4 2 1 0 0 0 2 7 14 9 2 0 0 0 0 2 9 24 19 5 1 0 0 0 1 4 14 14 5 1 0 0 1 5 23 43 28 5 1 0 0 1 4 29 73 52 11 1 0 0 0 2 14 44 34 9 1 0 0 2 11 38 57 33 5 0 0 0 1 10 56100 64 11 1 0 0 0 4 29 59 40 9 1 0 0 2 9 26 33 13 2 0 0 0 1 9 43 65 32 6 1 0 0 0 4 24 39 22 5 1 0 0 2 5 9 9 4 1 0 0 0 1 5 16 23 11 2 0 0 0 0 2 9 16 9 2 0 0 0 1 2 3 2 1 0 0 0 0 1 2 5 6 3 1 0 0 0 0 1 3 5 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 8 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 9 7 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 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 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 = 41.12 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.344 Region 4 Sum = 12431.6; Maximum = 242.136; FM = 0.843 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 1 1 1 1 1 0 0 0 -1 0 0 1 1 1 1 0 1 -1 0 1 2 2 2 1 1 6 6 5 2 2 1 1 1 0 1 0 0 0 0 0 1 0 1 3 1 1 1 1 1 2 1 2 10 14 13 6 2 1 1 1 0 1 1 0 0 0 0 0 0 1 2 2 2 2 0 1 1 0 1 10 22 23 11 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 1 1 0 1 6 20 23 14 6 3 2 0 0 0 1 0 1 0 0 1 0 0 1 2 2 2 1 1 2 1 1 6 14 15 10 5 2 2 1 0 0 1 1 0 0 0 0 0 0 1 1 2 1 1 1 1 0 1 5 10 10 7 4 1 2 1 0 0 0 1 0 1 1 1 0 0 1 2 2 1 2 1 1 1 1 5 8 8 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 2 4 4 3 2 1 1 0 !Region 4: Section 4->6 1 4 9 6 2 1 1 1 0 0 4 17 15 7 3 1 1 0 0 2 11 12 7 3 1 0 0 3 17 25 23 11 5 2 1 0 2 14 42 50 32 14 5 2 1 1 4 24 38 32 19 8 3 1 3 22 38 41 22 9 3 2 1 2 15 40 66 55 31 12 3 1 1 4 18 44 50 39 17 3 1 2 23 56 63 39 16 6 2 1 2 15 43 76 76 46 20 5 1 1 4 13 41 57 48 25 6 1 2 15 50 63 53 30 12 4 1 1 11 38 73100 80 39 10 2 1 2 10 36 70 72 46 10 2 2 12 31 40 41 30 13 6 2 1 7 23 46 81 88 51 16 3 1 2 7 22 56 78 58 17 2 2 9 21 24 25 20 10 5 2 1 6 15 27 46 58 40 15 3 1 2 5 13 32 52 45 17 2 2 9 15 19 18 15 8 3 1 1 5 10 18 29 36 24 10 2 0 2 4 9 20 31 25 11 2 1 4 6 9 8 6 4 1 0 1 2 4 8 12 14 8 2 0 0 1 2 4 8 11 8 2 0 !Region 4: Section 7->9 0 0 2 3 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 11 11 5 1 0 0 0 1 0 1 2 0 0 0 0 0 0 0 1 0 -1 0 0 1 1 3 7 13 18 9 1 0 0 0 2 1 2 3 2 0 0 0 0 1 0 1 0 1 0 0 1 1 2 5 12 19 12 3 0 1 1 1 1 2 3 3 0 0 0 0 0 0 1 0 0 0 0 0 0 2 5 11 18 18 4 1 0 0 0 1 1 2 2 0 0 0 1 0 0 0 0 0 0 1 0 0 1 3 8 17 21 6 1 0 0 0 1 1 1 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 2 5 12 16 6 1 0 -1 -1 0 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 4 8 9 4 1 0 0 0 0 1 2 2 1 0 0 0 0 -1 0 1 1 0 0 0 0 1 1 1 3 3 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 29.35 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 5 Sum = 4052.52; Maximum = 71.0634; FM = 0.823 !Region 5: Section 1->3 0 -1 0 0 0 0 0 0 0 0 -1 0 1 0 -1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 1 0 0 0 -1 0 0 1 2 2 1 0 0 -2 -1 2 9 9 5 3 1 1 -1 -1 0 0 1 1 1 1 1 0 0 0 3 4 4 4 4 3 0 0 2 11 13 11 9 5 4 2 0 0 1 0 0 0 1 0 0 0 1 4 6 5 4 3 1 1 0 3 10 26 24 11 7 3 2 1 0 1 0 0 0 0 0 1 0 1 2 6 6 3 1 0 2 0 2 4 22 25 11 8 5 3 1 0 1 1 1 1 0 0 0 0 0 3 4 4 4 0 2 2 1 1 3 10 14 10 6 6 4 1 0 0 0 0 1 1 0 1 0 0 0 2 2 3 3 2 3 1 0 1 6 6 5 5 4 4 0 0 1 0 0 0 1 0 1 0 1 2 0 -1 0 3 1 3 1 1 2 2 2 2 3 1 3 1 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 1 1 0 0 1 0 2 2 2 1 1 0 !Region 5: Section 4->6 1 6 10 8 5 3 2 1 0 1 6 18 18 12 7 4 2 0 0 2 12 13 8 8 4 1 0 6 31 34 18 16 9 4 1 0 5 31 47 45 38 23 10 5 1 1 8 25 38 30 23 14 5 1 6 34 39 25 25 17 8 4 1 5 32 42 45 55 37 19 6 2 0 7 14 32 43 31 20 5 1 4 29 70 56 36 29 14 4 1 2 28 65 64 76 59 32 9 2 0 7 15 28 57 44 27 9 2 2 16 67 70 45 44 25 8 1 1 17 66 78 97100 57 26 4 0 5 18 30 72 74 46 27 5 2 10 38 44 32 36 28 12 1 2 10 39 49 68 90 70 38 6 0 1 10 18 51 70 58 39 7 1 6 20 23 14 18 14 8 2 1 7 21 26 34 53 37 22 6 0 3 6 10 30 46 32 24 6 0 2 11 14 9 12 10 8 2 0 3 13 18 24 34 24 17 4 -1 2 3 7 19 29 21 16 4 0 1 5 6 5 5 5 3 0 0 2 6 7 9 12 13 6 1 0 1 2 2 6 10 10 4 1 !Region 5: Section 7->9 0 1 3 3 2 5 3 -1 0 0 0 1 1 1 2 1 -1 0 0 0 0 0 0 0 0 0 0 0 2 7 9 9 13 12 1 -1 -1 0 2 2 3 5 4 -1 -1 0 0 0 0 1 1 0 0 0 -1 0 3 6 9 12 14 2 0 0 0 1 1 1 4 7 0 0 0 0 0 0 0 0 1 0 0 0 3 2 3 10 15 11 3 1 0 1 2 0 1 4 4 1 1 0 0 1 0 0 1 1 0 0 0 4 5 6 14 14 13 10 3 1 4 2 2 3 3 1 2 1 0 1 0 0 1 1 0 0 0 0 2 2 3 10 12 15 16 2 0 3 1 0 1 2 2 4 0 0 1 0 0 0 1 0 0 0 -1 2 1 3 10 9 10 13 4 -1 0 0 0 2 1 2 3 1 0 0 0 0 0 0 0 0 0 0 2 1 1 4 10 11 9 2 0 2 1 0 1 4 4 3 1 0 1 0 0 0 1 1 0 0 0 2 0 0 1 3 3 2 0 0 2 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.03216; Maximum = 0.0147543; FM = 0.822 !Region 6: Section 1->3 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 7 5 4 2 1 0 0 0 1 0 0 1 1 0 0 0 1 3 3 2 1 1 1 0 0 4 16 18 13 8 5 3 0 0 0 1 1 0 1 1 0 0 0 1 4 4 4 3 2 2 0 0 5 20 21 17 12 7 4 2 0 0 1 1 0 1 0 0 0 0 2 5 5 4 3 2 1 1 0 6 19 30 27 16 9 4 2 0 0 1 0 0 1 0 0 1 0 1 3 4 4 2 1 1 2 0 4 16 31 33 21 11 5 3 1 0 1 1 0 1 0 0 1 0 0 2 3 3 3 0 1 2 1 2 11 20 25 17 7 5 3 1 0 0 0 0 1 0 0 1 0 0 0 1 1 2 1 1 2 0 1 4 9 11 7 4 3 3 0 0 0 0 0 1 1 1 1 0 0 1 1 0 1 2 1 2 1 1 2 4 4 3 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 2 1 1 1 1 0 !Region 6: Section 4->6 2 8 16 14 13 9 4 1 0 1 6 15 18 16 12 7 2 0 1 2 8 10 9 10 8 3 1 7 34 44 36 31 20 9 2 0 4 24 40 46 44 30 16 7 1 1 6 16 27 27 25 20 11 2 9 42 50 44 37 22 11 6 2 5 28 41 50 53 37 25 14 3 1 5 12 27 35 31 32 20 4 8 37 69 69 53 34 18 9 2 3 24 54 67 76 60 47 23 5 1 5 13 26 48 54 63 36 7 6 32 81 96 71 49 27 10 2 3 20 65 92100 98 69 32 6 1 5 17 32 64 91 88 50 12 4 23 60 73 51 37 24 10 2 3 15 52 69 73 81 62 31 6 1 4 14 24 52 78 73 47 10 2 11 29 34 22 17 12 6 2 2 9 27 33 38 46 32 18 5 1 4 8 14 33 49 43 31 9 1 3 12 16 12 10 8 6 2 0 3 12 18 23 28 20 14 4 0 2 4 9 21 31 28 20 7 0 1 4 6 5 4 4 2 0 0 1 4 7 9 10 10 5 1 0 1 2 3 8 12 12 8 2 !Region 6: Section 7->9 0 1 3 2 2 6 5 2 0 0 0 1 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 2 5 7 8 12 13 6 1 0 1 2 2 2 4 3 0 0 0 0 1 1 0 1 0 0 0 0 1 3 6 8 13 18 10 2 0 0 1 1 1 3 5 1 0 0 0 0 0 0 1 1 0 0 0 2 3 4 10 21 31 20 5 0 1 1 1 2 4 4 2 1 0 0 1 1 0 1 1 0 0 0 3 4 7 15 30 41 30 8 1 2 1 2 2 3 3 5 2 0 1 0 1 1 1 0 1 0 1 3 3 5 13 25 33 28 7 0 2 1 0 2 2 4 6 2 0 1 0 0 1 0 0 1 0 0 2 2 5 12 17 23 22 7 0 1 0 1 2 2 4 5 2 0 0 0 0 1 1 1 0 0 0 2 2 3 7 14 18 16 6 0 1 1 1 1 3 5 5 2 0 0 1 0 0 1 1 1 0 0 1 1 1 3 6 7 6 2 0 1 0 0 1 1 1 2 1 0 0 0 0 0 1 0 1 0 I/Sigma = 49.47 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 14600.7; Maximum = 251.31; FM = 0.722 !Region 7: Section 1->3 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 5 8 7 6 4 1 0 0 1 1 0 0 1 1 1 0 0 1 3 3 1 1 1 1 1 0 4 16 20 16 12 8 4 1 0 1 1 1 0 1 0 0 0 0 2 4 3 2 1 0 0 0 0 6 21 21 17 13 7 2 1 0 0 2 1 0 1 0 0 0 0 2 4 3 2 2 1 0 0 0 6 19 20 19 17 9 3 2 0 0 1 0 0 0 0 0 1 0 1 2 1 1 1 1 0 1 0 4 19 25 28 25 10 4 2 1 0 0 0 0 1 0 0 1 0 0 1 1 1 1 0 1 1 0 2 13 20 26 18 7 3 2 0 0 0 0 0 0 0 0 0 0 0 1 0 -1 0 -1 -1 0 0 1 5 9 11 7 2 1 1 0 0 0 0 1 1 0 1 0 0 0 0 1 0 1 0 1 0 0 0 1 4 4 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 !Region 7: Section 4->6 2 8 16 17 17 13 5 0 0 1 3 8 12 14 13 8 2 0 1 1 2 3 5 8 9 5 0 6 28 41 42 38 27 12 3 0 3 12 22 31 33 27 17 8 1 1 2 4 8 11 15 19 14 2 10 38 44 45 38 22 11 7 1 5 17 26 35 31 22 22 17 4 1 2 6 11 11 15 33 30 6 9 33 45 55 50 29 17 11 3 3 14 27 44 44 37 46 29 6 1 3 7 13 18 39 79 54 11 7 37 66 87 72 40 23 10 2 4 17 45 71 60 59 58 28 7 2 4 11 20 29 70100 60 15 5 27 61 76 51 27 15 5 1 3 16 50 60 46 43 34 16 4 2 6 13 18 30 55 62 41 11 2 12 28 32 21 11 6 3 1 1 9 24 25 24 22 16 9 3 1 5 8 10 23 33 37 27 8 0 3 9 12 10 5 3 2 1 0 3 7 10 13 12 10 6 3 0 2 4 6 16 22 24 18 8 0 0 1 3 3 1 1 0 0 0 0 1 3 5 4 4 2 1 0 0 1 3 7 10 10 8 3 !Region 7: Section 7->9 0 1 1 1 2 4 5 4 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 3 4 7 10 9 2 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 1 1 2 4 4 8 17 16 4 1 1 1 1 1 1 2 1 0 0 1 0 1 0 0 1 0 0 1 2 3 4 6 18 40 32 7 0 1 1 2 1 2 3 3 1 0 1 0 1 0 1 1 0 0 1 2 3 5 11 33 55 42 11 0 0 0 1 2 2 4 6 2 0 0 0 1 0 0 0 1 1 2 3 3 5 12 27 39 33 9 1 1 0 1 1 1 4 6 2 0 0 0 0 1 0 0 1 1 0 2 3 5 11 18 27 23 7 0 0 0 1 2 2 5 5 1 0 0 0 0 1 1 1 1 0 0 1 2 3 7 13 18 16 7 0 0 1 1 1 2 4 5 2 0 0 1 1 1 0 1 1 1 0 0 1 2 3 6 8 8 3 0 0 0 0 1 1 2 3 1 0 0 0 0 1 1 0 1 1 I/Sigma = 76.32 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 8 Sum = 33068.5; Maximum = 670.076; FM = 0.845 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 2 3 4 5 3 2 1 0 0 1 1 0 0 0 0 0 0 0 3 4 3 2 1 1 1 0 0 4 9 12 12 7 3 2 1 0 0 1 0 0 0 0 0 0 0 3 5 4 2 1 1 0 0 0 5 14 18 15 7 3 1 1 0 0 1 0 0 0 0 0 0 0 3 6 4 2 1 1 1 0 0 7 18 20 15 8 4 2 1 0 0 1 0 0 0 0 0 0 0 3 6 4 2 1 1 1 1 0 7 17 22 19 12 5 2 1 0 0 1 0 0 0 0 0 0 0 2 5 3 2 1 1 1 1 0 5 15 20 18 9 3 1 1 0 0 0 0 0 0 0 0 0 0 1 3 1 1 1 0 1 0 0 3 8 10 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 3 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 !Region 8: Section 4->6 1 2 6 12 12 7 2 0 0 0 1 4 11 15 10 5 1 0 0 0 1 2 5 6 4 1 0 2 8 22 35 29 14 5 2 0 1 4 14 33 36 23 13 6 1 1 2 2 8 14 16 16 9 2 4 16 35 41 29 18 8 2 1 1 7 24 38 40 40 28 13 3 0 1 4 11 19 40 43 22 5 6 21 38 46 43 28 11 4 1 2 10 27 49 72 71 42 18 4 1 2 6 16 43 75 65 32 6 6 20 48 69 62 28 9 3 1 2 10 36 82100 68 33 14 3 1 2 8 30 58 73 53 28 6 4 20 52 69 46 16 5 2 0 2 11 44 84 73 40 18 8 2 0 2 10 32 43 43 33 20 6 3 11 28 33 18 7 2 1 0 1 7 27 43 33 18 10 5 1 1 2 8 19 22 23 20 14 4 1 3 7 9 6 3 2 1 0 1 2 8 14 13 9 6 3 1 0 1 3 8 11 14 13 10 3 0 1 1 1 1 1 1 1 0 0 0 1 3 3 3 2 1 0 0 0 1 2 3 5 5 3 1 !Region 8: Section 7->9 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 6 8 5 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 18 22 12 3 0 1 1 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 11 32 34 18 4 0 1 0 1 1 3 4 4 2 0 0 0 0 0 0 1 1 1 0 1 1 4 13 31 29 20 6 0 0 0 1 1 3 4 5 3 0 0 0 0 0 0 1 1 1 0 1 2 4 10 19 21 18 6 0 0 1 1 1 2 4 6 4 0 0 0 0 0 0 1 1 1 0 1 1 3 6 11 15 15 6 0 0 1 1 1 2 3 6 4 0 0 0 0 0 0 0 1 1 0 0 1 2 4 8 11 12 5 0 0 0 0 1 1 3 6 4 0 0 0 0 0 0 1 1 1 0 0 0 1 1 3 4 4 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 0 I/Sigma = 183.08 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.118 Region 9 Sum = 165242; Maximum = 6664.18; FM = 0.918 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 5 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 4 9 11 5 1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 7 7 3 1 0 0 0 1 4 12 20 14 3 0 0 0 0 1 1 1 0 0 0 0 0 0 2 6 7 5 1 0 0 0 0 3 10 19 18 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 0 0 0 0 2 6 10 13 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 0 0 1 2 3 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 9: Section 4->6 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 6 4 1 0 0 0 0 1 4 10 8 3 1 0 0 0 0 2 5 5 3 2 1 0 0 2 8 15 11 4 1 0 0 0 1 8 22 25 11 2 1 0 0 0 3 13 20 13 5 2 0 0 3 12 29 32 13 2 0 0 0 2 10 41 68 34 6 1 0 0 0 4 26 52 34 12 3 1 0 3 13 42 57 24 3 0 0 0 1 10 56100 53 9 1 0 0 0 4 33 65 43 14 4 1 0 2 11 36 52 22 3 0 0 0 1 8 44 76 38 6 1 0 0 0 3 21 41 25 9 3 1 0 1 6 16 23 9 1 0 0 0 1 3 16 26 12 2 1 0 0 0 1 6 12 7 4 2 0 0 1 2 3 5 2 1 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 2 2 2 1 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 !Region 9: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 5 3 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 1 2 1 1 0 0 0 1 4 10 13 8 3 1 0 0 0 1 5 10 7 3 1 0 0 0 0 1 3 2 1 0 0 0 1 8 19 22 14 6 1 0 0 0 1 5 11 8 4 1 0 0 0 0 1 2 2 1 0 0 0 1 7 17 19 14 7 2 0 0 0 1 3 7 7 4 1 0 0 0 0 0 1 1 1 0 0 0 1 2 7 9 8 5 1 0 0 0 0 1 3 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 1 1 3 4 3 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (204 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 204 0 204 4.3510 0.8635 20.411 126.439 Orientation ('UB') matrix: 0.1443429 0.0354958 -0.0035800 0.0294902 -0.0027732 0.0771070 0.0653052 -0.0772034 -0.0044157 A B C Alpha Beta Gamma Vol 6.2490 11.7623 13.0247 90.000 96.770 90.000 950.67 0.0003 0.0016 0.0006 0.000 0.003 0.000 0.20 Corrected for goodness of fit: 0.0007 0.0035 0.0014 0.000 0.007 0.000 0.42 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.848 96.063 24.049 Goniometer zeros (deg): 0.0000* 0.0654 0.0000* -0.0457 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0457 -1.1649 0.0703 -0.2708 -0.2128 0.8440 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.10596e+03 2.69647e+03 2.15 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 193 Average input ESD (pix, pix, deg): 0.15626 0.13855 0.05164 Goodness of fit: 2.49164 1.71044 2.07771 Old XYZ spot size: 1.373 1.683 2.545 New XYZ spot size: 1.541 2.161 2.753 Average missing volume: 0.049 % with too much missing I: 3.584 Fractional overlap in H,K,L: 0.000 0.000 0.000 WARNING: Spot refinement did not fully converge. For best results you can try re-starting with the last determined XYZ values: 1.541 2.161 2.753 Integration ============================= 10/26/2021 10:24:09 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): 1.541 2.161 2.753 Spot size used (deg): 1.541 2.161 2.753 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 17 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 LS profile fitting will be used to worst resolution of 9999.000 A up to I/sigma(I) of 8.000 unweighted fit Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.215 0.250 0.369 Profile convolver halfwidth: 1.00 1.00 1.59 Background pixels updated = 96.69% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.75 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 2.75 1.000 2_0003 4 -0.13 0.03 -0.06 0.17 0.12 0.11 34110 65 0 0.61 24 1.88 3.99 2.75 1.000 3_0004 3 -0.01 0.12 0.04 0.09 0.14 0.04 37661 68 0 0.84 32 1.89 4.09 2.75 1.000 4_0005 11 0.04 -0.03 -0.01 0.10 0.10 0.09 63309 97 0 0.80 30 2.02 4.26 2.74 1.000 5_0006 5 -0.05 -0.02 0.01 0.10 0.04 0.03 39857 76 0 0.83 29 1.95 4.34 2.72 1.000 6_0007 9 0.00 -0.01 -0.02 0.19 0.07 0.16 46576 79 0 0.76 27 1.94 4.27 2.74 1.000 7_0008 9 0.06 -0.07 -0.03 0.13 0.11 0.08 12665 38 0 0.67 30 1.81 4.05 2.73 1.000 8_0009 11 0.01 -0.03 -0.03 0.06 0.08 0.09 66627 127 0 0.81 32 1.83 4.08 2.73 1.000 9_0010 7 -0.18 -0.00 0.11 0.29 0.23 0.17 13235 35 14 0.63 28 1.82 4.06 2.75 1.000 10_0011 12 0.01 0.00 -0.01 0.13 0.10 0.07 49106 82 0 0.85 31 1.88 4.10 2.74 1.000 11_0012 10 0.03 -0.01 -0.13 0.12 0.09 0.32 17212 47 0 0.83 28 1.84 4.01 2.74 1.000 12_0013 9 -0.11 -0.03 -0.00 0.26 0.15 0.06 51557 81 0 0.69 29 1.89 4.11 2.73 1.000 13_0014 12 0.07 -0.01 -0.07 0.13 0.06 0.18 58541 95 0 0.79 28 1.92 4.14 2.74 1.000 14_0015 2 -0.05 0.05 0.18 0.10 0.05 0.18 56339 106 0 0.76 30 1.91 4.12 2.76 1.000 15_0016 8 0.04 -0.00 0.00 0.08 0.05 0.06 52501 100 0 0.67 30 1.90 4.10 2.75 1.000 16_0017 12 0.21 0.13 -0.01 0.65 0.43 0.13 47099 86 0 0.68 28 1.88 4.12 2.77 1.000 17_0018 13 -0.02 -0.03 -0.03 0.24 0.14 0.15 12474 40 0 0.71 26 1.87 4.08 2.79 1.000 18_0019 11 0.02 0.02 0.00 0.07 0.09 0.06 48832 93 0 0.81 32 1.87 4.09 2.79 1.000 19_0020 13 0.16 -0.30 -0.03 0.62 1.04 0.17 50176 80 0 0.75 28 1.87 4.09 2.79 1.000 Background pixels updated = 96.17% 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 8 0.12 0.05 -0.03 0.32 0.16 0.07 25144 58 0 0.77 30 1.85 4.05 2.80 1.000 21_0022 5 -0.07 0.01 -0.08 0.10 0.06 0.20 131911 188 0 0.85 27 1.85 4.06 2.82 1.000 22_0023 8 0.06 -0.12 -0.02 0.30 0.56 0.17 13962 40 0 0.73 29 1.84 4.04 2.80 1.000 23_0024 12 0.03 -0.00 0.00 0.10 0.08 0.10 22259 57 0 0.70 28 1.83 4.04 2.80 1.000 24_0025 7 -0.04 0.07 -0.03 0.12 0.15 0.17 46706 84 0 0.83 28 1.82 4.03 2.79 1.000 25_0026 17 0.13 -0.02 -0.05 0.21 0.14 0.07 44052 84 0 0.80 31 1.82 4.01 2.79 1.000 26_0027 9 0.08 0.09 -0.04 0.14 0.21 0.17 51300 97 0 0.75 29 1.81 4.01 2.80 1.000 27_0028 12 0.05 0.00 -0.06 0.09 0.05 0.15 48989 85 0 0.76 27 1.82 3.99 2.79 1.000 28_0029 8 0.02 0.02 0.02 0.08 0.07 0.06 50583 97 0 0.78 28 1.81 3.97 2.79 1.000 29_0030 8 0.05 0.08 -0.03 0.11 0.09 0.09 26778 60 0 0.79 29 1.81 3.98 2.80 1.000 30_0031 11 0.06 0.17 -0.08 0.17 0.48 0.15 34516 77 0 0.78 29 1.80 3.96 2.79 1.000 31_0032 6 0.11 0.06 -0.05 0.14 0.10 0.09 42012 89 0 0.83 31 1.80 3.96 2.79 1.000 32_0033 10 0.06 0.01 -0.04 0.08 0.06 0.15 40011 82 0 0.76 27 1.79 3.93 2.81 1.000 33_0034 11 0.11 -0.07 0.01 0.36 0.27 0.08 24441 52 0 0.71 28 1.79 3.94 2.82 1.000 34_0035 10 0.05 0.01 -0.02 0.15 0.06 0.06 15698 43 0 0.64 27 1.79 3.91 2.81 1.000 35_0036 11 -0.03 0.02 0.02 0.09 0.07 0.08 47405 90 0 0.76 28 1.79 3.90 2.81 1.000 36_0037 11 0.07 0.06 -0.06 0.16 0.13 0.16 52273 97 0 0.74 27 1.80 3.91 2.82 1.000 37_0038 7 0.06 -0.03 0.05 0.14 0.17 0.15 23550 57 14 0.66 30 1.80 3.90 2.81 1.000 38_0039 7 -0.14 0.10 0.05 0.31 0.22 0.10 33905 81 0 0.67 27 1.79 3.88 2.81 1.000 39_0040 12 -0.04 0.02 0.00 0.15 0.10 0.07 28786 61 0 0.74 28 1.78 3.86 2.82 1.000 Background pixels updated = 95.93% 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 6 0.07 0.01 0.00 0.11 0.08 0.07 30365 75 0 0.86 31 1.79 3.86 2.83 1.000 41_0042 11 0.00 0.02 -0.06 0.09 0.08 0.18 30481 66 0 0.73 27 1.79 3.84 2.83 1.000 42_0043 13 0.05 0.02 -0.04 0.27 0.19 0.15 24072 55 0 0.74 29 1.79 3.85 2.82 1.000 43_0044 7 0.06 0.05 -0.04 0.15 0.07 0.12 16688 50 0 0.79 27 1.79 3.83 2.82 1.000 44_0045 9 -0.04 0.02 -0.02 0.14 0.07 0.19 117258 170 0 0.74 28 1.79 3.83 2.82 1.000 45_0046 7 -0.09 -0.04 0.02 0.12 0.06 0.05 36782 85 0 0.75 29 1.79 3.81 2.82 1.000 46_0047 9 0.14 0.09 -0.09 0.19 0.34 0.14 29985 72 0 0.82 31 1.79 3.81 2.82 1.000 47_0048 10 -0.06 0.04 0.02 0.23 0.20 0.08 43803 74 0 0.70 30 1.79 3.79 2.83 1.000 48_0049 10 0.07 -0.02 -0.01 0.19 0.08 0.09 27271 65 0 0.75 32 1.79 3.77 2.83 1.000 49_0050 11 0.09 0.03 -0.05 0.27 0.14 0.09 11597 35 0 0.75 25 1.79 3.75 2.84 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 (418 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) 418 0 418 5.8804 0.8629 15.066 126.603 Orientation ('UB') matrix: 0.1443588 0.0354888 -0.0035886 0.0295228 -0.0027705 0.0771043 0.0652866 -0.0772185 -0.0044156 A B C Alpha Beta Gamma Vol 6.2485 11.7608 13.0252 90.000 96.775 90.000 950.51 0.0002 0.0005 0.0004 0.000 0.002 0.000 0.08 Corrected for goodness of fit: 0.0005 0.0013 0.0010 0.000 0.005 0.000 0.22 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.860 96.064 24.040 Goniometer zeros (deg): 0.0000* 0.0649 0.0000* -0.0438 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.9191 -1.2123 0.0695 -0.2898 -0.2144 0.8395 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 9.19848e+03 8.21399e+03 2.59 25 2 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 418 418 408 Average input ESD (pix, pix, deg): 0.17598 0.15447 0.05217 Goodness of fit: 2.94159 2.54145 2.15639 Background pixels updated = 95.86% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 12 -0.07 0.01 -0.01 0.26 0.09 0.07 28813 70 0 0.70 29 1.79 3.73 2.84 1.000 51_0052 11 0.01 0.01 0.00 0.16 0.09 0.08 30152 67 0 0.75 30 1.79 3.72 2.84 1.000 52_0053 10 0.03 -0.06 -0.03 0.10 0.10 0.07 67725 127 0 0.85 33 1.79 3.70 2.84 1.000 53_0054 10 0.01 -0.03 -0.04 0.10 0.08 0.14 37137 81 0 0.77 29 1.79 3.68 2.86 1.000 54_0055 7 0.12 -0.02 -0.16 0.16 0.06 0.29 29235 64 0 0.81 28 1.79 3.68 2.86 1.000 55_0056 7 0.02 -0.02 -0.02 0.07 0.05 0.06 61429 100 0 0.77 28 1.80 3.68 2.86 1.000 56_0057 16 0.00 -0.06 -0.00 0.11 0.09 0.08 21719 55 0 0.72 28 1.80 3.65 2.85 1.000 57_0058 9 -0.00 -0.03 0.03 0.14 0.05 0.15 24346 57 0 0.78 27 1.80 3.64 2.86 1.000 58_0059 9 0.09 -0.09 -0.05 0.19 0.11 0.10 85768 126 0 0.82 30 1.81 3.63 2.85 1.000 59_0060 9 0.07 -0.18 -0.06 0.24 0.29 0.11 41699 83 0 0.82 31 1.81 3.62 2.85 1.000 Background pixels updated = 96.00% 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 11 -0.03 -0.08 -0.00 0.10 0.10 0.10 32247 71 0 0.80 32 1.81 3.61 2.85 1.000 61_0062 11 -0.03 -0.07 -0.01 0.37 0.21 0.11 36025 80 0 0.83 29 1.82 3.60 2.85 1.000 62_0063 10 0.05 -0.11 -0.03 0.14 0.15 0.05 63317 95 0 0.79 29 1.82 3.59 2.85 1.000 63_0064 7 0.07 -0.06 -0.08 0.16 0.09 0.13 14794 40 0 0.73 28 1.82 3.59 2.85 1.000 64_0065 13 -0.03 -0.14 -0.13 0.12 0.16 0.33 14805 48 0 0.76 29 1.82 3.56 2.85 1.000 65_0066 10 -0.11 -0.10 0.04 0.19 0.11 0.14 62308 99 0 0.70 27 1.82 3.56 2.84 1.000 66_0067 8 -0.08 -0.06 0.03 0.12 0.10 0.07 27708 68 0 0.79 28 1.82 3.55 2.84 1.000 67_0068 7 0.07 -0.04 -0.04 0.25 0.27 0.10 57253 102 0 0.81 29 1.83 3.54 2.83 1.000 68_0069 15 -0.09 -0.13 0.00 0.16 0.16 0.12 42319 79 0 0.76 27 1.84 3.53 2.83 1.000 69_0070 9 -0.08 -0.01 0.04 0.25 0.36 0.11 33848 61 11 0.70 28 1.84 3.53 2.82 1.000 70_0071 7 -0.05 -0.11 0.00 0.10 0.13 0.06 30245 63 0 0.74 29 1.85 3.52 2.82 1.000 71_0072 5 -0.03 -0.11 0.00 0.16 0.13 0.07 41497 77 0 0.72 25 1.85 3.52 2.81 1.000 72_0073 7 -0.03 -0.12 -0.02 0.10 0.14 0.09 36575 76 0 0.78 30 1.85 3.52 2.81 1.000 73_0074 12 0.05 -0.08 0.02 0.28 0.27 0.15 23718 59 0 0.81 28 1.86 3.51 2.81 1.000 74_0075 8 -0.08 -0.06 -0.01 0.20 0.13 0.16 24403 56 13 0.77 30 1.85 3.50 2.81 1.000 75_0076 10 -0.04 -0.12 -0.31 0.16 0.19 1.04 55316 91 0 0.76 29 1.86 3.50 2.80 1.000 76_0077 11 -0.17 -0.10 -0.07 0.33 0.12 0.21 13940 32 9 0.74 24 1.86 3.49 2.80 1.000 77_0078 5 0.12 -0.00 -0.07 0.39 0.35 0.15 21421 66 0 0.86 31 1.86 3.49 2.79 1.000 78_0079 14 0.03 -0.20 -0.01 0.12 0.22 0.08 39679 91 0 0.86 32 1.86 3.48 2.79 1.000 79_0080 16 0.47 -0.58 -0.04 1.97 1.70 0.21 69202 104 0 0.84 30 1.87 3.47 2.78 1.000 Background pixels updated = 95.46% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80_0081 9 -0.08 -0.21 -0.02 0.13 0.26 0.09 35272 80 0 0.79 30 1.87 3.47 2.78 1.000 81_0082 13 0.02 -0.19 -0.02 0.22 0.44 0.15 25616 59 0 0.73 30 1.87 3.46 2.78 1.000 82_0083 7 -0.08 -0.15 0.03 0.15 0.16 0.10 61508 106 0 0.77 28 1.87 3.45 2.78 1.000 83_0084 9 -0.16 -0.10 -0.00 0.24 0.16 0.05 27309 55 0 0.65 28 1.87 3.45 2.78 1.000 84_0085 11 -0.12 -0.13 0.34 0.35 0.20 1.04 27680 57 9 0.65 27 1.88 3.45 2.78 1.000 85_0086 10 -0.10 -0.14 0.04 0.13 0.15 0.08 72996 125 0 0.81 30 1.88 3.45 2.78 1.000 86_0087 12 -0.07 -0.13 0.00 0.12 0.16 0.06 70895 104 8 0.68 29 1.88 3.44 2.77 1.000 87_0088 9 0.08 -0.39 -0.06 0.35 0.76 0.15 61425 106 0 0.81 27 1.89 3.44 2.77 1.000 88_0089 8 -0.12 -0.16 -0.02 0.23 0.23 0.17 43903 77 0 0.64 27 1.89 3.44 2.76 1.000 89_0090 4 0.78 -1.21 -0.19 1.53 2.10 0.27 18481 37 0 0.72 26 1.89 3.44 2.76 1.000 90_0091 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 1.89 3.44 2.76 1.000 91_0092 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.89 3.44 2.76 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_09_0092.sfrm I/Sigma = 75.46 Thresh = 0.020 Blend = F #Contributing = 215 InitialProfileWt = 0.000 Region 1 Sum = 40442.9; Maximum = 1136.16; FM = 0.888 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 5 6 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 0 1 5 14 19 14 7 4 2 1 0 0 0 0 0 0 0 0 0 1 2 2 3 2 1 1 1 0 2 8 17 21 13 7 3 2 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 1 1 0 3 9 11 10 6 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 0 2 5 5 4 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 !Region 1: Section 4->6 0 1 1 1 1 1 1 1 0 0 0 0 1 2 2 1 1 0 0 0 0 1 1 2 2 2 1 0 1 3 4 5 5 3 2 1 0 1 2 5 8 8 6 3 1 0 0 1 2 4 6 6 5 2 1 4 14 19 21 15 7 3 1 1 3 11 20 30 26 15 7 2 0 1 2 6 14 17 17 11 3 2 11 40 63 61 44 20 7 1 2 8 30 61 88 83 46 18 3 1 2 6 17 37 50 44 24 5 4 19 50 74 65 45 20 7 1 3 13 41 80100 93 51 20 4 1 3 9 25 47 60 48 24 5 5 21 36 40 29 17 8 3 1 3 15 35 54 54 39 20 8 1 1 3 9 21 30 31 21 9 2 3 10 15 14 10 6 3 1 1 1 7 14 21 20 12 5 2 1 0 1 4 9 12 10 6 2 1 1 2 3 3 2 2 1 1 0 1 2 3 4 4 3 2 1 1 0 1 1 2 2 2 2 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 !Region 1: Section 7->9 0 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 2 3 5 6 3 0 0 1 1 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 3 6 11 11 4 0 0 1 1 1 1 3 4 2 0 0 0 0 0 0 0 0 0 0 1 1 2 5 13 23 18 4 0 1 1 1 1 2 5 5 1 0 0 0 0 0 0 0 0 0 0 1 2 3 8 17 23 16 4 0 1 1 1 2 3 5 4 1 0 0 0 0 0 0 0 0 0 0 1 2 3 7 12 11 6 1 0 1 1 1 2 2 3 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 3 5 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 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 I/Sigma = 278.73 Thresh = 0.020 Blend = F #Contributing = 292 InitialProfileWt = 0.000 Region 2 Sum = 420170; Maximum = 26760.3; FM = 0.863 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 6 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 3 17 31 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 3 12 17 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 4 2 1 0 0 0 0 0 3 8 6 2 0 0 0 0 0 3 9 9 3 1 0 0 0 2 20 43 21 3 0 0 0 0 2 22 58 32 6 1 0 0 0 1 16 51 31 8 1 0 0 1 7 49 94 49 4 0 0 0 0 5 50100 58 8 1 0 0 0 3 33 69 39 9 1 0 0 1 6 28 46 15 1 0 0 0 0 3 23 44 18 2 0 0 0 0 1 11 23 12 3 0 0 0 0 2 5 5 1 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 6 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 21 15 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 24 14 4 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 192.66 Thresh = 0.020 Blend = F #Contributing = 163 InitialProfileWt = 0.000 Region 3 Sum = 184880; Maximum = 9174.12; FM = 0.904 !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 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 4 11 15 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 9 18 18 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 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 1 2 1 1 0 0 0 0 0 1 2 2 1 0 0 0 1 5 9 6 2 0 0 0 0 1 4 11 10 4 1 0 0 0 1 2 6 8 5 2 0 0 2 8 29 47 33 7 1 0 0 1 5 26 58 48 14 2 0 0 1 2 11 34 36 15 3 0 0 3 17 49 65 42 9 1 0 0 1 11 55100 82 25 3 0 0 1 4 33 75 74 29 5 0 0 2 9 22 25 13 4 1 0 0 1 7 34 55 43 16 2 0 0 0 4 25 50 48 21 3 0 0 1 2 3 4 2 1 1 0 0 0 2 7 11 8 3 1 0 0 0 1 6 11 9 4 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 7 11 7 3 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 7 19 22 11 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 14 7 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 77.45 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.002 Region 4 Sum = 41724.9; Maximum = 1182.51; FM = 0.872 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 6 10 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 12 21 13 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 6 13 16 10 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 4 8 8 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 3 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 0 0 1 5 7 5 3 2 1 1 0 1 6 10 7 5 3 2 1 0 1 3 5 6 6 5 3 1 1 6 26 47 27 9 3 2 1 1 5 26 52 35 13 6 3 1 0 2 7 15 16 14 11 6 2 2 14 52 96 68 30 8 3 1 1 12 49100 90 47 17 5 1 1 3 10 26 37 40 30 12 2 2 19 53 77 62 37 13 4 1 2 15 48 84 91 70 34 9 1 0 3 10 24 45 69 59 17 2 2 12 31 39 33 19 8 3 1 1 8 26 47 55 43 23 6 1 1 2 6 16 32 52 41 11 1 1 4 8 12 12 8 4 2 1 1 3 7 14 20 17 8 3 1 0 1 2 6 14 22 12 3 1 0 1 2 3 4 3 2 1 0 0 1 2 3 5 5 3 1 0 0 1 1 2 3 5 3 1 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 !Region 4: Section 7->9 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 4 4 3 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 1 1 0 0 1 1 2 5 8 8 5 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 0 1 2 2 4 9 20 20 9 2 0 1 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 12 34 36 11 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 1 0 0 0 1 2 4 11 28 25 7 1 0 0 1 1 1 2 2 1 1 0 0 0 0 0 0 1 1 0 0 0 1 2 5 12 7 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 50.71 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.230 Region 5 Sum = 17255.4; Maximum = 408.039; FM = 0.815 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 0 1 0 0 0 1 1 2 2 1 1 0 0 1 2 3 4 3 2 2 1 0 0 1 0 1 2 1 1 1 0 1 1 1 2 2 1 1 1 0 1 6 9 12 6 2 2 1 0 1 1 1 1 1 1 1 1 0 1 1 3 2 2 2 1 1 0 2 10 23 29 17 6 2 2 1 0 0 0 1 1 1 1 0 0 1 1 2 2 2 2 1 1 0 3 12 21 25 16 6 3 2 1 0 1 1 1 1 1 1 0 0 0 1 2 2 1 2 2 1 0 3 9 13 14 9 5 3 2 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 2 1 1 0 1 4 6 6 5 3 2 3 1 0 1 0 0 1 1 0 1 0 0 1 0 1 1 1 1 1 0 0 2 2 2 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 !Region 5: Section 4->6 0 1 2 2 2 1 1 1 0 0 1 3 4 3 2 1 1 0 0 1 3 5 4 3 2 1 0 1 6 9 7 5 4 3 2 1 1 7 12 13 12 8 5 3 1 1 4 8 14 15 12 9 5 2 2 13 22 22 13 6 3 2 0 2 10 20 25 24 19 12 6 2 1 4 10 21 28 29 20 10 3 4 21 47 54 34 14 6 3 1 2 13 31 46 51 53 35 17 4 1 5 12 28 53 78 58 28 6 4 22 43 52 40 19 9 4 1 2 10 27 49 67 71 58 27 5 1 4 10 29 65100 92 43 9 4 15 26 30 25 15 9 5 2 1 6 15 29 46 51 44 20 3 1 2 5 18 45 69 66 29 5 2 7 13 14 13 9 6 4 1 1 3 8 13 23 27 21 11 2 0 2 4 8 21 34 33 16 3 0 2 5 6 7 6 5 4 1 0 2 4 7 11 13 12 7 2 1 2 3 4 9 14 15 9 2 0 0 1 2 3 3 2 1 0 0 0 2 3 4 5 4 1 0 0 1 1 2 3 4 4 1 0 !Region 5: Section 7->9 0 0 1 2 1 2 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 4 6 6 5 4 1 1 1 1 1 1 2 2 3 2 0 0 0 0 0 0 1 1 1 0 2 3 5 8 12 9 5 2 0 2 2 1 1 3 3 2 2 0 1 1 0 0 1 1 1 1 0 2 3 5 14 27 21 10 2 0 2 1 1 1 3 3 2 1 0 0 0 0 0 1 1 1 0 1 3 3 6 16 32 32 15 3 1 2 1 1 1 2 3 2 1 0 0 0 0 0 1 1 1 0 0 2 2 5 12 22 23 12 2 0 2 2 2 2 2 1 2 1 0 0 0 0 1 0 0 0 0 0 2 2 2 6 11 14 8 2 1 1 1 1 2 2 1 2 1 0 0 0 1 0 0 0 0 0 1 2 2 1 2 5 6 5 1 0 1 1 0 0 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 0.00 Thresh = 0.020 Blend = F #Contributing = 0 InitialProfileWt = 1.000 Region 6 Sum = 1.07547; Maximum = 0.0227354; FM = 0.844 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 1 2 1 1 1 1 0 0 0 1 1 1 1 0 1 1 0 0 1 1 2 1 1 1 1 0 1 4 5 5 4 3 2 1 0 0 1 1 1 1 1 1 1 0 1 2 1 2 2 1 1 1 0 2 7 10 12 8 4 3 2 0 0 1 1 1 1 1 1 1 0 1 2 2 2 2 2 1 1 0 3 11 22 29 19 9 4 2 1 0 1 1 1 1 1 1 1 0 1 2 2 3 2 2 1 1 1 4 14 26 30 20 8 4 2 1 0 1 1 1 1 1 1 1 0 1 1 2 2 1 2 2 1 0 4 11 17 16 10 5 3 2 1 0 1 1 1 1 1 1 1 0 1 1 2 2 1 2 1 1 0 2 5 7 6 4 3 2 2 1 0 1 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 2 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 !Region 6: Section 4->6 0 1 3 3 3 2 1 1 0 0 1 3 3 3 3 2 1 0 0 1 2 3 3 3 3 1 0 1 6 10 11 9 7 4 2 1 1 5 9 11 12 10 8 4 1 1 2 5 8 10 11 11 7 2 3 14 24 27 20 13 6 3 1 1 8 17 23 26 25 19 10 3 1 3 6 13 21 28 30 19 5 5 23 51 65 48 29 13 6 2 2 12 31 51 62 66 47 23 5 1 4 9 23 48 78 75 41 9 6 28 61 75 57 31 13 6 1 3 14 39 67 81 79 57 26 5 1 4 11 32 67100 91 45 10 6 23 41 42 30 16 9 5 1 3 13 30 44 51 47 34 16 3 1 4 11 26 49 65 55 27 6 3 11 17 15 12 8 5 3 1 2 7 13 17 21 21 15 8 2 1 3 6 10 21 29 26 15 3 1 3 5 5 6 5 3 3 1 1 2 4 6 9 10 8 5 1 1 2 3 4 9 12 12 8 2 0 0 1 2 2 2 1 1 0 0 0 1 2 3 3 3 1 0 0 1 1 2 3 4 4 2 1 !Region 6: Section 7->9 0 0 1 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 2 3 4 5 6 5 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 1 1 0 0 0 1 2 4 6 11 14 10 4 0 1 1 1 1 2 2 2 2 0 1 1 0 1 1 1 1 0 0 2 3 5 12 27 32 20 5 0 1 1 1 1 3 3 3 1 0 0 0 0 0 1 1 1 0 1 2 3 7 18 36 38 21 5 0 1 1 1 1 2 3 3 1 0 0 0 0 0 1 1 1 0 0 2 3 6 16 25 24 14 4 0 1 1 1 2 2 2 3 1 0 0 0 0 1 0 1 1 0 0 2 2 3 7 12 13 9 3 0 1 1 1 1 2 2 3 1 0 0 0 0 0 0 0 1 0 1 1 2 1 3 5 7 6 2 0 1 1 0 1 2 2 2 1 0 0 1 0 0 0 0 1 0 0 0 1 1 1 2 2 2 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 77.34 Thresh = 0.020 Blend = F #Contributing = 21 InitialProfileWt = 0.061 Region 7 Sum = 35482.3; Maximum = 708.92; FM = 0.8 !Region 7: Section 1->3 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 0 0 0 1 2 2 2 1 1 0 0 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 0 1 5 7 7 5 4 2 1 0 0 1 1 1 1 1 1 1 0 1 2 2 2 2 1 1 2 0 3 10 11 12 9 6 3 2 1 0 1 1 1 1 1 1 1 0 1 3 2 2 2 1 1 1 1 5 14 21 28 21 12 5 3 1 0 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 2 1 5 16 31 36 24 10 4 3 1 0 0 1 1 1 1 1 1 0 1 1 2 2 1 2 2 2 1 4 13 21 19 11 5 3 3 1 0 1 1 1 1 1 1 1 0 1 2 2 2 1 1 1 1 1 3 6 8 6 4 2 2 1 1 0 1 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 0 0 0 !Region 7: Section 4->6 1 2 4 5 4 3 2 1 0 0 1 2 3 3 4 3 1 0 0 1 1 1 2 3 4 2 0 2 8 13 16 13 10 5 2 0 1 4 7 10 11 12 10 5 1 0 1 2 3 6 11 14 10 3 4 17 26 30 23 17 9 4 1 1 7 14 19 21 26 26 16 4 0 2 2 5 12 28 42 29 8 8 26 50 68 51 36 16 8 2 3 12 27 43 51 62 54 29 7 1 3 5 15 37 76 96 56 13 8 34 76 89 63 34 13 6 2 3 17 46 69 74 69 49 24 6 1 4 12 33 65100 93 49 12 8 31 53 50 31 14 7 4 1 4 17 41 50 46 38 23 12 3 1 5 17 32 55 64 48 27 8 5 14 19 15 10 6 4 3 1 3 9 17 16 16 15 10 6 2 1 4 9 12 22 27 23 16 5 1 3 5 5 5 3 2 1 0 1 2 4 5 7 6 4 3 1 1 2 3 5 10 12 12 9 3 0 0 1 2 1 1 1 1 0 0 0 1 2 2 2 2 1 0 0 1 1 2 3 4 4 4 1 !Region 7: Section 7->9 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 5 7 5 2 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 1 1 2 4 11 18 15 5 0 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 5 11 28 43 29 7 0 0 1 1 1 2 2 2 1 0 0 0 1 1 1 1 1 0 1 2 4 8 22 42 45 28 7 0 1 0 1 1 2 3 4 2 0 0 0 1 1 1 1 1 0 1 2 4 9 22 29 26 18 5 0 0 0 1 1 2 3 4 2 0 0 0 0 1 1 1 1 1 1 2 2 4 9 13 15 13 4 1 1 1 1 1 2 3 4 1 0 1 1 0 1 0 1 1 0 1 1 1 2 4 7 9 8 3 0 1 1 0 1 1 3 3 1 0 1 1 0 1 1 1 1 1 0 0 1 1 1 3 4 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 106.42 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.005 Region 8 Sum = 60493.5; Maximum = 1725.97; FM = 0.843 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 4 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 5 9 11 8 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 3 8 15 17 11 4 1 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 0 3 9 13 10 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 0 0 3 7 7 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 2 4 3 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 1 1 1 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 1 2 2 1 0 0 0 0 1 1 3 3 2 1 0 0 0 0 1 2 4 5 3 1 0 1 3 6 8 7 4 2 0 0 1 2 6 11 14 11 5 1 0 1 1 3 7 15 19 12 3 1 3 8 14 22 21 11 3 1 0 2 5 16 36 45 32 11 2 0 1 2 6 21 41 43 21 5 2 7 21 49 58 35 11 3 1 1 4 17 57 92 75 36 11 2 0 1 5 20 53 68 49 20 5 3 14 46 81 61 22 5 2 1 1 9 41100 96 48 16 5 1 1 3 11 38 62 50 25 10 3 4 20 50 53 23 6 2 1 0 2 15 54 73 41 15 5 2 1 1 4 15 31 31 18 9 5 1 4 17 28 18 6 2 1 1 0 2 14 32 25 9 4 2 1 1 1 4 9 10 6 5 4 2 1 2 7 8 4 2 1 1 1 0 1 6 9 5 3 2 1 1 0 0 2 3 2 2 2 2 1 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 8: Section 7->9 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 8 13 10 3 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 7 17 22 14 4 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 1 0 0 1 2 4 16 25 23 13 4 0 0 1 1 2 2 3 3 1 0 0 0 0 1 0 1 1 0 0 1 2 7 20 21 14 8 3 0 0 1 1 2 2 2 3 1 0 0 0 0 0 0 0 1 0 0 1 2 6 11 9 7 5 2 0 0 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 3 2 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 119.49 Thresh = 0.020 Blend = F #Contributing = 166 InitialProfileWt = 0.000 Region 9 Sum = 87406.8; Maximum = 4516.52; FM = 0.885 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 6 12 11 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 3 8 12 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 2 6 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 2 2 1 1 0 0 0 1 2 2 2 1 0 0 0 0 1 3 5 5 2 1 0 0 1 2 4 7 7 5 2 0 0 1 2 6 10 6 2 1 0 0 1 3 10 21 18 7 1 0 0 1 3 10 19 20 10 2 0 0 1 7 27 43 18 4 1 0 0 1 6 33 70 42 12 2 0 0 0 3 18 41 33 13 2 0 0 3 16 53 72 26 3 1 0 0 2 12 59100 44 7 1 0 0 1 4 22 44 24 6 1 0 1 5 20 43 47 15 2 0 0 0 3 15 45 59 20 2 1 0 0 1 3 14 22 8 2 0 0 0 4 12 16 14 5 1 0 0 0 2 8 15 14 4 1 0 0 0 1 2 4 4 1 1 0 0 0 1 3 3 2 1 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 1 1 2 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 5 2 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 10 7 2 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 13 12 6 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 9 6 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 7 Total topped/rescanned pixels: 195 Minimum pixel ceiling(frame): 163809(neal054_09_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_09_0001.sfrm) Total spots predicted: 986 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 87* Outside frame limits: 59* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 5* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 832 Total spot components written: 832 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 832 Twin overlaps written: 0 Average Intensity: 40019.17 Average I/sigma: 105.71 % over "strong" threshold: 93.03 % less than 2 sigma: 0.84 % which spanned more than 1 frame: 88.70 Average X,Y,Z positional errors: 0.02 -0.06 -0.02 RMS X,Y,Z positional errors: 0.36 0.36 0.21 % X,Y,Z more than 0.5 pixel: 3.61 2.88 1.32 % X,Y,Z more than 1.0 pixel: 0.48 0.96 0.36 Avg % profile volume populated: 97.79 Avg % profile volume integrated: 21.87 Avg % profile missing I: 2.13 Avg % profile missing volume: 2.21 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 88.89 Max % intensity on XYZ boundaries: 12.20 14.43 2.72 Average spot-shape correlation: 0.744 RMS spot-shape correlation: 0.761 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.259 0.168 5 1.0 2.0 0.234 0.036 2 2.0 4.0 0.465 0.103 12 4.0 8.0 0.639 0.114 17 8.0 16.0 0.757 0.145 49 16.0 32.0 0.754 0.151 122 32.0 64.0 0.753 0.149 279 64.0 128.0 0.761 0.152 205 128.0 256.0 0.832 0.114 141 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): 141.451 Elapsed since INTEGRATE command (sec): 139.975 Integration time, this run (sec): 5.170 Time in unit-cell LS (sec): 0.193 Per-frame integration time (sec): 0.055 Integration completed normally ======================== 10/26/2021 10:24:14 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1163769 will be applied to LS-fit intensities Number of spots read: 832 Number of LS-fit intensities scaled: 45 Number rejected due to poor spot shape: 2 Number unwritable (I, sigma too large): 0 Number written: 830 Sorting Reflection File ============================== 10/26/2021 10:24:14 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_09.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... 830 spot components in 830 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 830 spot components in 830 spots written to file /smb/isengard/data/neal054/work/neal054_09.raw Computing Reflection File Statistics ========== 10/26/2021 10:24:14 Integration of neal054 ................................................................................... Statistics for reflections in neal054_09.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 830 Number of reflection records read = 830 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 830 Number of spot components used = 830 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_09.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 13.025 90.000 96.775 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 32.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 64.000 7 1 7 1 0.0 6207.543 31.15 11.34 0.060 -0.013 2.3 0.000 0.119 0.00 .78-1.2-.10 3.0 2.6 .29 96.000 31 3 29 5 0.0 7553.378 36.80 11.94 0.149 0.002 6.2 0.000 0.275 0.00 .09 .01 .04 .60 .38 .65 128.000 67 1 66 2 1.5 10545.801 41.45 12.51 0.085 0.000 4.0 0.000 0.186 0.00 .05-.08-.12 .46 .54 .46 160.000 85 1 84 2 0.0 12181.516 41.80 13.29 0.201 0.000 9.9 0.000 0.502 0.00 .06-.08-.09 .34 .51 .20 192.000 120 1 117 6 2.5 17485.002 52.18 14.14 0.198 0.000 3.7 0.000 0.319 0.00 .06-.02-.03 .17 .17 .13 224.000 134 0 130 9 0.7 24184.090 62.75 15.02 0.022 -0.000 1.8 0.000 0.000 0.00 .08-.04-.01 .16 .19 .10 256.000 132 0 121 30 0.8 33892.053 82.32 15.43 0.080 -0.006 5.7 0.000 0.000 0.00-.09-.05 .00 .13 .19 .08 288.000 101 0 90 34 1.0 51692.325 117.56 15.64 0.078 -0.001 7.6 0.000 0.000 0.00-.05-.04 .00 .09 .19 .10 320.000 69 0 60 32 0.0 90323.055 171.95 16.44 0.075 0.003 12.0 0.000 0.000 0.00-.01-.06 .01 .08 .10 .08 352.000 40 0 37 22 0.0 85144.543 197.34 15.91 0.068 -0.007 12.3 0.000 0.000 0.00 .01-.08 .02 .08 .12 .07 384.000 21 0 20 11 0.0 137455.23 272.82 15.01 0.058 0.004 15.0 0.000 0.000 0.00 .00-.06 .01 .05 .08 .08 416.000 12 0 11 6 0.0 113918.58 267.72 13.78 0.061 0.021 10.7 0.000 0.000 0.00-.01-.12 .03 .18 .19 .10 448.000 7 0 7 3 0.0 185597.96 393.57 13.16 0.108 -0.036 25.9 0.000 0.000 0.00-.03-.09 .05 .13 .11 .07 480.000 4 0 4 1 0.0 258536.42 451.34 13.34 0.087 0.041 53.6 0.000 0.000 0.00-.08-.14-.08 .30 .18 .11 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 26 1 26 1 0.0 39102.389 96.78 11.98 0.060 -0.001 2.3 0.000 0.119 0.00 .18 .07-.10 .29 .46 .15 32.000 51 2 51 2 0.0 38545.417 103.92 12.54 0.225 -0.000 9.4 0.000 0.450 0.00 .15-.02-.06 .39 .28 .10 64.000 73 4 73 4 1.4 35515.950 94.33 13.46 0.166 0.002 7.6 0.000 0.332 0.00 .08-.06-.08 .23 .17 .39 96.000 101 2 100 11 0.0 43253.537 110.85 14.78 0.070 -0.003 8.7 0.000 0.350 0.00 .00-.07 .02 .17 .12 .35 128.000 128 1 127 30 0.0 42783.282 103.68 16.01 0.077 -0.026 11.3 0.000 0.186 0.00-.01-.05-.02 .11 .09 .13 160.000 131 0 131 34 0.8 41047.533 105.28 16.33 0.070 -0.009 8.0 0.000 0.000 0.00-.05-.03-.00 .15 .07 .15 192.000 112 0 107 25 1.8 34097.970 95.42 15.47 0.079 0.006 9.6 0.000 0.000 0.00-.05-.01-.01 .17 .09 .17 224.000 92 0 92 29 0.0 44951.297 121.36 14.33 0.069 0.032 10.6 0.000 0.000 0.00-.03-.02-.02 .18 .11 .14 256.000 58 0 58 15 3.4 36033.049 103.93 13.20 0.054 -0.000 6.9 0.000 0.000 0.00-.01 .01 .01 .21 .20 .10 288.000 46 0 46 9 2.2 45883.291 131.77 12.30 0.087 0.021 13.9 0.000 0.000 0.00 .03-.09 .00 .27 .31 .09 320.000 12 0 12 4 0.0 27154.900 72.00 11.82 0.026 0.015 3.0 0.000 0.000 0.00 1.2-1.8-.22 2.5 2.7 .33 352.000 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_09.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 33 0 33 7 3.0 24119.327 67.13 14.25 0.023 0.003 1.7 0.000 0.000 0.00-.03 .02 .03 .15 .13 .10 30.000 87 0 87 19 3.4 30956.466 81.48 14.57 0.071 0.017 6.6 0.000 0.000 0.00-.04-.02 .00 .15 .14 .09 60.000 146 0 143 37 0.7 31992.727 84.71 15.23 0.071 -0.001 6.6 0.000 0.000 0.00-.02-.03-.02 .16 .23 .14 90.000 161 0 158 36 0.0 39036.705 100.80 15.68 0.078 -0.002 10.3 0.000 0.000 0.00 .00-.07-.01 .25 .36 .14 120.000 143 1 140 28 0.7 34433.633 94.86 15.08 0.075 -0.001 10.4 0.000 0.186 0.00-.01-.08-.02 .31 .37 .16 150.000 102 2 99 15 0.0 53804.687 131.28 14.30 0.057 -0.008 14.8 0.000 0.312 0.00 .04-.08-.05 .17 .16 .13 180.000 70 3 64 15 1.4 44158.799 118.71 13.43 0.084 0.006 9.4 0.000 0.293 0.00 .12-.19 .03 .96 .83 .43 210.000 59 2 59 4 0.0 40045.446 116.24 12.58 0.109 -0.019 18.6 0.000 0.346 0.00 .17 .00-.11 .40 .29 .44 240.000 25 1 25 2 0.0 113874.06 250.00 12.41 0.090 0.016 31.3 0.000 0.427 0.00 .08 .11-.09 .31 .43 .14 270.000 4 1 4 1 0.0 30100.401 109.48 11.61 0.060 -0.005 2.3 0.000 0.119 0.00 .05-.23-.05 .32 .26 .09 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 61 0 61 2 4.9 14263.828 49.98 12.32 0.042 0.001 2.1 0.000 0.000 0.00 .30-.33-.04 1.2 1.2 .17 2.000 55 0 55 26 0.0 66478.427 157.30 13.13 0.065 0.013 9.1 0.000 0.000 0.00-.07-.09 .01 .13 .28 .10 3.000 383 6 373 23 0.5 16940.940 52.32 14.03 0.061 -0.000 4.1 0.000 0.311 0.00 .04-.02-.05 .25 .16 .29 4.000 331 0 287 113 0.6 67260.873 148.13 15.99 0.075 -0.002 10.7 0.000 0.000 0.00-.05-.05 .01 .11 .14 .09 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 286 0 265 67 1.7 31677.587 84.34 14.93 0.068 0.003 6.5 0.000 0.000 0.00-.03-.02-.00 .16 .19 .12 2.000 34 0 34 24 0.0 127858.92 274.41 14.47 0.067 0.023 14.1 0.000 0.000 0.00-.06-.09 .03 .13 .15 .09 3.000 4 0 4 3 0.0 108655.25 199.55 12.37 0.082 0.070 12.5 0.000 0.000 0.00-.12-.21-.02 .16 .27 .04 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 8 0 8 0 0.0 11176.475 36.91 11.64 0.000 0.000 0.0 0.000 0.000 0.00 1.0-1.5-.20 1.4 2.2 .29 6.000 38 0 38 0 0.0 6643.084 32.09 12.15 0.000 0.000 0.0 0.000 0.000 0.00 .18-.20-.09 1.3 1.1 .28 7.000 134 5 129 10 0.7 12057.133 42.95 13.33 0.141 0.000 6.1 0.000 0.308 0.00 .01-.02-.06 .32 .20 .45 8.000 218 1 217 15 0.5 33183.446 80.37 14.64 0.067 -0.003 5.3 0.000 0.319 0.00 .05-.05-.03 .16 .20 .09 9.000 108 0 105 45 0.0 94861.349 198.56 16.62 0.078 -0.014 13.3 0.000 0.000 0.00 .01-.07 .01 .09 .09 .08 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.080 31 3 31 3 0.0 49591.065 117.15 14.73 0.155 0.001 7.6 0.000 0.311 0.00-.01 .00-.01 .14 .09 .11 6.429 42 3 42 3 2.4 37415.806 103.23 14.84 0.090 -0.002 3.7 0.000 0.179 0.00-.02-.02-.03 .15 .13 .18 10.778 33 3 33 3 0.0 51972.805 120.52 14.77 0.201 0.001 9.3 0.000 0.403 0.00 .01-.02-.01 .17 .10 .13 15.127 53 1 53 1 0.0 38443.938 99.03 14.86 0.091 0.001 4.2 0.000 0.182 0.00 .08-.05-.02 .45 .56 .13 19.476 34 1 34 3 0.0 36603.119 102.75 14.32 0.116 -0.039 29.1 0.000 0.744 0.00 .05-.02-.04 .22 .29 .15 23.825 49 1 49 3 0.0 47645.222 118.71 14.87 0.066 -0.001 8.8 0.000 0.106 0.00 .06 .02-.03 .15 .14 .12 28.174 40 0 40 2 0.0 36034.585 97.16 14.54 0.100 -0.016 18.2 0.000 0.000 0.00 .10 .05-.05 .21 .29 .12 32.523 45 0 45 5 0.0 36341.281 97.30 14.79 0.067 -0.027 14.4 0.000 0.000 0.00 .02 .03-.00 .14 .09 .10 36.872 36 0 36 4 2.8 28376.536 80.50 14.60 0.118 -0.022 14.4 0.000 0.000 0.00-.03 .02 .00 .18 .15 .13 41.221 39 0 39 7 0.0 47915.918 117.95 15.01 0.092 -0.037 15.8 0.000 0.000 0.00 .00 .02-.03 .19 .12 .14 45.570 44 0 44 4 0.0 27186.770 87.31 14.18 0.058 -0.020 11.3 0.000 0.000 0.00 .06 .03-.03 .22 .20 .10 49.919 45 0 45 8 0.0 39827.233 102.49 14.43 0.072 -0.019 8.7 0.000 0.000 0.00 .00-.01-.04 .18 .09 .15 54.268 45 0 45 9 0.0 42115.607 112.84 14.57 0.063 -0.016 9.2 0.000 0.000 0.00 .04-.08-.02 .16 .15 .11 58.617 41 0 40 12 0.0 42233.082 112.44 14.59 0.082 -0.021 11.4 0.000 0.000 0.00 .00-.08-.04 .22 .15 .20 62.966 41 0 41 14 0.0 34841.395 99.58 14.69 0.033 0.008 4.4 0.000 0.000 0.00-.03-.10-.02 .17 .16 .11 67.315 38 0 38 11 2.6 37741.133 94.37 14.72 0.045 0.003 5.8 0.000 0.000 0.00-.06-.09 .01 .17 .21 .10 71.664 43 0 42 16 4.7 33012.331 89.08 14.59 0.055 0.020 6.9 0.000 0.000 0.00-.04-.10-.09 .24 .19 .52 76.013 46 0 46 14 0.0 44556.400 114.88 14.16 0.080 0.041 10.6 0.000 0.000 0.00 .15-.30-.03 1.2 1.0 .15 80.362 41 0 41 15 2.4 33275.478 93.49 14.44 0.046 0.011 3.8 0.000 0.000 0.00-.05-.15 .00 .20 .29 .10 84.711 44 0 43 27 2.3 58165.845 137.88 14.82 0.086 0.074 11.7 0.000 0.000 0.00-.00-.29 .06 .53 .74 .54 89.060 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 91 2 91 4 0.0 41473.465 107.86 14.71 0.116 -0.013 22.9 0.000 0.368 0.00 .07-.03-.02 .37 .46 .13 10.000 99 1 99 5 0.0 41124.999 106.55 14.64 0.086 -0.006 12.6 0.000 0.106 0.00 .07 .03-.04 .18 .21 .12 20.000 94 0 94 10 1.1 31475.457 86.30 14.70 0.088 -0.028 15.9 0.000 0.000 0.00 .01 .03-.02 .18 .13 .12 30.000 101 0 101 16 0.0 40915.635 112.25 14.51 0.067 -0.023 10.5 0.000 0.000 0.00 .01 .01-.02 .19 .14 .11 40.000 97 0 95 24 0.0 39885.411 107.59 14.60 0.080 -0.021 10.6 0.000 0.000 0.00 .03-.08-.04 .19 .14 .17 50.000 90 0 88 28 1.1 36295.870 95.01 14.68 0.040 0.003 5.4 0.000 0.000 0.00-.03-.09-.04 .18 .20 .36 60.000 99 0 97 36 2.0 39731.824 106.97 14.36 0.067 0.032 7.3 0.000 0.000 0.00 .03-.22-.01 .82 .72 .15 70.000 61 0 60 32 3.3 49927.265 122.77 14.73 0.081 0.066 10.6 0.000 0.000 0.00-.03-.24 .04 .46 .63 .46 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 6 1 6 1 0.0 41223.254 92.19 15.32 0.079 0.005 3.9 0.000 0.157 0.00-.08 .04-.03 .14 .11 .09 350.000 92 6 90 8 1.1 43256.925 110.38 14.74 0.165 -0.000 7.3 0.000 0.306 0.00-.01-.02-.03 .16 .11 .15 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 6.710 31 3 31 3 0.0 49591.065 117.15 14.73 0.155 0.001 7.6 0.000 0.311 0.00-.01 .00-.01 .14 .09 .11 6.771 42 3 42 3 2.4 37415.806 103.23 14.84 0.090 -0.002 3.7 0.000 0.179 0.00-.02-.02-.03 .15 .13 .18 6.831 32 3 32 3 0.0 50230.049 120.29 14.69 0.201 0.001 9.3 0.000 0.403 0.00 .01-.02-.01 .17 .10 .13 6.892 53 1 53 1 0.0 38361.901 97.46 14.82 0.091 0.001 4.2 0.000 0.182 0.00 .09-.05-.02 .45 .56 .13 6.952 35 1 35 3 0.0 38759.858 106.89 14.46 0.116 -0.036 29.1 0.000 0.744 0.00 .05-.02-.03 .22 .28 .15 7.013 49 1 49 3 0.0 47645.222 118.71 14.87 0.066 -0.001 8.8 0.000 0.106 0.00 .06 .02-.03 .15 .14 .12 7.073 36 0 36 2 0.0 38332.103 99.07 14.58 0.100 -0.017 18.2 0.000 0.000 0.00 .07 .09-.05 .13 .27 .13 7.134 47 0 47 4 0.0 33891.138 95.31 14.62 0.069 -0.026 16.2 0.000 0.000 0.00 .05 .01-.01 .21 .15 .10 7.194 37 0 37 5 2.7 30172.927 83.19 14.74 0.102 -0.023 13.0 0.000 0.000 0.00-.02 .02 .01 .18 .14 .13 7.255 39 0 39 7 0.0 46871.772 116.86 14.95 0.092 -0.037 15.8 0.000 0.000 0.00 .00 .02-.03 .19 .13 .14 7.315 43 0 43 3 0.0 27717.695 88.83 14.11 0.059 -0.020 14.3 0.000 0.000 0.00 .06 .03-.03 .22 .20 .10 7.376 44 0 44 9 0.0 40307.452 104.16 14.52 0.071 -0.020 8.0 0.000 0.000 0.00 .00-.01-.04 .18 .09 .15 7.436 42 0 42 7 0.0 32861.800 86.96 14.82 0.060 -0.022 8.7 0.000 0.000 0.00 .02-.05-.01 .13 .08 .10 7.497 45 0 44 14 0.0 50979.628 135.22 14.38 0.082 -0.017 11.4 0.000 0.000 0.00 .02-.11-.03 .23 .19 .09 7.557 40 0 40 13 0.0 28867.867 87.43 14.67 0.029 0.000 3.8 0.000 0.000 0.00-.03-.09-.04 .17 .15 .21 7.618 39 0 39 11 2.6 44136.214 104.38 14.69 0.045 0.009 6.5 0.000 0.000 0.00-.06-.10 .01 .17 .23 .10 7.678 39 0 39 15 2.6 33158.621 88.14 14.74 0.055 0.019 6.9 0.000 0.000 0.00-.02-.09-.09 .20 .20 .55 7.739 47 0 47 15 2.1 44674.377 115.77 14.15 0.080 0.044 10.3 0.000 0.000 0.00 .13-.29-.03 1.2 1.0 .16 7.799 43 0 43 16 0.0 33078.093 93.35 14.40 0.046 0.009 3.9 0.000 0.000 0.00-.04-.16-.00 .19 .29 .11 7.860 47 0 46 27 4.3 55094.142 134.14 14.78 0.086 0.074 11.7 0.000 0.000 0.00-.01-.27 .06 .51 .72 .52 7.920 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 10.000 830 6 748 164 0.8 40094.140 105.66 14.63 0.073 0.000 9.4 0.000 0.311 0.00 .02-.06-.02 .36 .37 .21 11.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2 0 2 0100.0 41.186 0.48 13.52 0.000 0.000 0.0 0.000 0.000 0.00-.48 .63 .21 .49 .72 .21 0.100 1 0 1 0 0.0 208.540 2.21 13.26 0.000 0.000 0.0 0.000 0.000 0.00 .24-.20-.08 .24 .20 .08 0.200 4 0 4 1100.0 81.849 0.94 14.11 1.976 -0.367 1.3 0.000 0.000 0.00-.21-.06 .15 .28 .24 .19 0.300 15 0 15 1 0.0 20737.767 56.08 15.84 0.066 0.006 4.1 0.000 0.000 0.00 .04-.05 .01 .18 .18 .05 0.400 56 0 56 6 1.8 19607.313 58.25 15.45 0.046 -0.004 2.9 0.000 0.000 0.00-.03-.00-.04 .20 .11 .45 0.500 76 1 76 15 0.0 24727.964 69.27 15.28 0.088 0.016 7.9 0.000 0.186 0.00 .07-.11-.02 .92 .78 .12 0.600 136 3 135 30 0.0 39917.175 104.77 15.22 0.085 -0.015 10.6 0.000 0.315 0.00-.02-.05 .03 .17 .12 .31 0.700 147 3 146 29 0.0 35296.427 93.08 14.67 0.071 -0.002 8.3 0.000 0.314 0.00 .01-.04-.02 .27 .18 .12 0.800 288 3 283 54 0.0 37648.011 102.05 14.15 0.067 0.001 9.3 0.000 0.401 0.00 .03-.05-.04 .20 .21 .17 0.900 105 0 102 28 0.0 81230.271 174.03 14.07 0.071 0.007 12.4 0.000 0.000 0.00 .06-.15-.03 .39 .63 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 816 6 736 162 0.9 39987.180 105.53 14.67 0.073 -0.000 9.5 0.000 0.311 0.00-.00-.04-.02 .20 .15 .21 0.050 1 0 1 0 0.0 22961.400 63.08 12.02 0.000 0.000 0.0 0.000 0.000 0.00 .39-1.5-.21 .39 1.5 .21 0.100 2 0 2 1 0.0 68328.951 144.60 11.87 0.040 0.019 6.0 0.000 0.000 0.00-.02-.20-.06 .18 .29 .08 0.150 1 0 1 1 0.0 35119.000 76.02 11.73 0.022 0.022 1.7 0.000 0.000 0.00 .12-1.5-.28 .12 1.5 .28 0.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.250 2 0 2 0 0.0 166035.55 353.53 13.02 0.000 0.000 0.0 0.000 0.000 0.00-.16 .71-.23 .23 1.1 .30 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.350 1 0 1 0 0.0 22001.699 98.09 11.40 0.000 0.000 0.0 0.000 0.000 0.00 .40-.11-.17 .40 .11 .17 0.400 1 0 1 0 0.0 10188.200 28.63 11.65 0.000 0.000 0.0 0.000 0.000 0.00 .81 .70-.23 .81 .70 .23 0.450 2 0 2 0 0.0 28720.149 52.53 11.81 0.000 0.000 0.0 0.000 0.000 0.00 .40 .77-.25 .45 .78 .25 0.500 1 0 1 0 0.0 1068.000 5.45 11.22 0.000 0.000 0.0 0.000 0.000 0.00 7.9-6.8-.75 7.9 6.8 .75 0.550 3 0 3 0 0.0 10363.034 26.40 11.68 0.000 0.000 0.0 0.000 0.000 0.00 2.1-3.4-.44 2.2 3.5 .46 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_09.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 45 1 45 10 0.0 51151.925 128.88 14.70 0.087 0.005 14.1 0.000 0.182 0.00 .09-.04-.02 .37 .27 .09 0.050 33 1 33 6 3.0 25463.738 80.83 14.17 0.099 0.023 7.9 0.000 0.319 0.00 .11-.17-.02 .46 .67 .14 0.100 40 1 40 6 0.0 28524.606 81.89 14.00 0.084 0.036 12.4 0.000 0.186 0.00 .04-.00-.06 .16 .32 .18 0.150 34 0 34 6 2.9 37636.485 97.33 14.49 0.061 -0.014 9.3 0.000 0.000 0.00 .08-.11-.01 .23 .41 .13 0.200 55 1 55 14 0.0 39328.248 98.03 14.88 0.058 0.008 7.2 0.000 0.744 0.00 .05-.05-.06 .18 .27 .47 0.250 41 0 40 9 0.0 29240.733 79.72 15.26 0.085 0.003 8.7 0.000 0.000 0.00 .05-.04 .00 .18 .12 .12 0.300 39 1 38 14 2.6 30355.090 89.36 14.72 0.087 -0.029 7.7 0.000 0.469 0.00 .02-.07 .01 .24 .30 .13 0.350 46 1 46 6 0.0 51611.037 116.81 14.59 0.037 -0.008 5.3 0.000 0.119 0.00 .06-.04-.03 .16 .13 .20 0.400 53 1 52 14 0.0 53978.568 119.38 15.15 0.076 -0.001 11.4 0.000 0.223 0.00-.02-.06 .02 .13 .11 .11 0.450 65 0 65 18 1.5 42910.101 110.74 14.49 0.062 0.001 8.2 0.000 0.000 0.00-.03-.07 .02 .13 .16 .10 0.500 55 1 55 8 1.8 44107.217 110.85 14.66 0.064 0.000 7.0 0.000 0.334 0.00 .01-.01-.03 .14 .17 .10 0.550 54 1 54 16 1.9 57643.494 137.77 15.08 0.075 -0.010 10.2 0.000 0.157 0.00-.02-.05-.04 .11 .11 .08 0.600 34 0 34 4 0.0 47030.694 113.77 14.71 0.050 0.002 4.6 0.000 0.000 0.00-.04-.01-.05 .19 .13 .11 0.650 35 0 35 3 0.0 22728.771 68.34 14.39 0.062 -0.007 5.2 0.000 0.000 0.00-.08-.06-.02 .21 .13 .12 0.700 38 0 38 6 0.0 45354.607 113.64 15.05 0.070 -0.013 15.0 0.000 0.000 0.00-.05-.05 .04 .22 .12 .56 0.750 31 0 31 3 3.2 21744.778 70.58 14.35 0.065 -0.012 6.5 0.000 0.000 0.00-.08 .02-.05 .21 .17 .16 0.800 30 0 30 4 0.0 38442.003 111.94 13.66 0.111 0.039 18.3 0.000 0.000 0.00-.07-.01-.01 .22 .19 .12 0.850 31 1 31 8 0.0 34048.426 100.09 13.98 0.052 -0.007 7.9 0.000 0.106 0.00 .05-.17-.09 .59 .77 .21 0.900 40 1 40 7 0.0 31994.095 95.01 14.71 0.097 0.003 12.9 0.000 0.502 0.00 .19-.21-.03 1.3 1.1 .17 0.950 31 1 31 2 0.0 42780.200 125.25 14.55 0.225 0.002 6.5 0.000 0.427 0.00-.00-.00-.01 .25 .15 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.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 2002.760 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4005.520 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 8011.039 85 0 84 8 2.4 4407.129 21.20 15.40 0.154 0.002 2.0 0.000 0.000 0.00-.00-.03-.03 .18 .10 .18 16022.078 351 4 343 37 1.1 16380.899 51.40 14.64 0.069 -0.002 4.2 0.000 0.313 0.00-.01-.03-.02 .18 .12 .29 32044.156 227 4 217 45 0.4 32367.126 83.27 14.04 0.084 -0.004 7.4 0.000 0.336 0.00 .03-.05-.02 .26 .24 .08 64088.312 101 1 89 41 0.0 75982.645 142.28 14.92 0.068 -0.001 10.0 0.000 0.119 0.00 .06-.14-.02 .41 .66 .13 128176.625 44 0 38 23 0.0 148729.30 231.39 15.71 0.079 0.001 16.8 0.000 0.000 0.00 .17-.22 .01 1.2 1.0 .14 256353.250 18 0 16 8 0.0 215446.98 329.93 13.99 0.050 0.010 17.3 0.000 0.000 0.00 .00-.10-.02 .17 .16 .09 512706.500 4 0 3 2 0.0 427528.75 529.45 14.01 0.096 0.000 53.8 0.000 0.000 0.00-.15-.12-.01 .21 .17 .02 1025413.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.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 1.987 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.974 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.961 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.948 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.935 50 2 48 7 0.0 13069.550 49.36 11.66 0.069 0.004 5.6 0.000 0.346 0.00 .43-.36-.04 1.4 1.4 .52 11.923 298 4 294 30 1.7 31401.322 94.82 12.91 0.076 0.011 10.2 0.000 0.301 0.00 .02-.05-.05 .20 .23 .25 13.910 246 0 243 42 0.4 41198.310 106.23 14.88 0.066 0.004 9.1 0.000 0.000 0.00-.00-.03-.02 .12 .10 .12 15.897 194 0 184 63 0.5 47445.583 108.28 16.80 0.072 -0.012 8.7 0.000 0.000 0.00-.04-.04 .02 .12 .07 .08 17.884 42 0 37 22 0.0 93519.931 173.56 18.81 0.079 -0.009 12.3 0.000 0.000 0.00-.04-.05 .03 .07 .06 .08 19.871 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 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 0.0 802.134 7.53 11.70 0.000 0.000 0.0 0.000 0.000 0.00-.97-.38 1.8 .98 .41 2.4 -0.900 1 0 1 0 0.0 251.341 2.63 12.43 0.000 0.000 0.0 0.000 0.000 0.00-.80 .06 .11 .80 .06 .11 -0.780 3 0 3 0 0.0 2432.916 17.27 11.92 0.000 0.000 0.0 0.000 0.000 0.00-.73-.02 .12 .73 .41 .13 -0.660 3 0 3 0 33.3 1682.891 12.08 12.63 0.000 0.000 0.0 0.000 0.000 0.00-.57 .29 .22 .57 .56 .24 -0.540 9 1 9 1 11.1 3132.360 19.99 13.00 0.112 -0.040 4.6 0.000 0.223 0.00-.47-.06 .20 .48 .24 .23 -0.420 11 0 11 1 18.2 44580.100 174.22 13.37 0.109 0.028 27.7 0.000 0.000 0.00-.35 .10 .09 .35 .30 .16 -0.300 49 3 46 21 2.0 36618.833 113.13 14.10 0.082 0.053 8.4 0.000 0.310 0.00-.23-.06 .01 .23 .17 .09 -0.180 190 2 165 76 0.5 46409.246 109.85 15.52 0.075 0.001 9.5 0.000 0.342 0.00-.12-.06 .01 .12 .11 .10 -0.060 306 2 291 52 0.3 51172.074 124.44 15.06 0.065 -0.007 10.3 0.000 0.330 0.00-.00-.03-.02 .03 .13 .14 0.060 158 1 158 8 0.0 30327.985 80.31 14.21 0.102 -0.001 7.7 0.000 0.319 0.00 .11-.04-.04 .12 .17 .11 0.180 56 0 56 2 0.0 20619.777 69.13 13.40 0.327 0.000 2.2 0.000 0.000 0.00 .23-.05-.10 .23 .23 .18 0.300 21 0 21 0 0.0 16764.856 59.75 12.99 0.000 0.000 0.0 0.000 0.000 0.00 .35-.06-.28 .35 .41 .73 0.420 5 1 5 1 0.0 8434.193 38.01 11.93 0.053 0.013 2.2 0.000 0.106 0.00 .48-.01-.10 .48 .31 .12 0.540 6 0 6 1 0.0 12119.148 44.26 12.33 0.437 -0.002 1.1 0.000 0.000 0.00 .59 .07-.17 .59 .46 .18 0.660 2 0 2 0 0.0 3635.700 20.39 11.98 0.000 0.000 0.0 0.000 0.000 0.00 .69-.06-.12 .69 .37 .13 0.780 2 1 2 1 0.0 8160.900 28.86 11.75 0.372 -0.140 10.9 0.000 0.744 0.00 .83 .57-.19 .83 .58 .19 0.900 2 0 2 0 0.0 13431.400 37.10 11.56 0.000 0.000 0.0 0.000 0.000 0.00 .94-1.4-.18 .94 1.6 .20 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 4 0 4 0 0.0 2673.375 11.12 11.57 0.000 0.000 0.0 0.000 0.000 0.00 3.8-3.3-.54 4.5 4.5 .56 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 6 0 6 1 0.0 15039.584 41.02 11.67 0.022 0.009 1.7 0.000 0.000 0.00 2.4-3.3-.43 3.6 3.8 .47 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 2 0 2 0 0.0 817.150 7.01 11.77 0.000 0.000 0.0 0.000 0.000 0.00 .44-.69-.19 .46 .69 .20 -0.660 1 0 1 0 0.0 656.234 5.44 12.66 0.000 0.000 0.0 0.000 0.000 0.00-.43-.56 .21 .43 .56 .21 -0.540 10 0 10 1 10.0 31309.161 98.77 12.08 0.109 0.043 27.7 0.000 0.000 0.00 .13-.48-.02 .52 .48 .14 -0.420 15 0 15 3 0.0 56488.600 157.27 12.32 0.078 0.056 21.1 0.000 0.000 0.00-.03-.35-.01 .27 .35 .05 -0.300 63 3 63 11 0.0 30100.722 90.77 12.98 0.086 0.030 9.9 0.000 0.331 0.00 .00-.23 .03 .25 .23 .44 -0.180 242 4 229 84 0.0 48165.012 121.99 15.15 0.066 0.014 8.8 0.000 0.318 0.00-.03-.11-.00 .14 .11 .13 -0.060 360 3 354 59 0.3 42822.464 105.18 15.25 0.079 -0.018 9.9 0.000 0.241 0.00-.00-.01-.02 .13 .04 .13 0.060 94 0 94 3 2.1 29087.207 85.10 13.72 0.166 -0.000 1.9 0.000 0.000 0.00 .02 .10-.04 .16 .11 .14 0.180 19 0 19 0 5.3 8251.450 36.32 12.98 0.000 0.000 0.0 0.000 0.000 0.00-.06 .23-.14 .29 .24 .77 0.300 6 1 6 1 0.0 9956.800 42.41 11.93 0.053 0.009 2.2 0.000 0.106 0.00 .33 .34-.05 .48 .34 .11 0.420 4 1 4 1 25.0 3839.199 22.47 12.12 0.372 -0.149 10.9 0.000 0.744 0.00 .18 .49-.01 .58 .49 .16 0.540 3 0 3 0 0.0 19929.730 52.55 12.04 0.000 0.000 0.0 0.000 0.000 0.00 .05 .58-.07 .60 .58 .20 0.660 1 0 1 0 0.0 10188.200 28.63 11.65 0.000 0.000 0.0 0.000 0.000 0.00 .81 .70-.23 .81 .70 .23 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 2 0 2 0 50.0 7539.436 31.18 11.91 0.000 0.000 0.0 0.000 0.000 0.00-.19 .96-.02 .43 .96 .28 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 2 0 2 0 0.0 2846.400 17.30 11.87 0.000 0.000 0.0 0.000 0.000 0.00 1.1 1.5-.39 1.6 1.5 .40 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.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 0.0 402.307 3.43 11.96 0.000 0.000 0.0 0.000 0.000 0.00 .31 .22-3.3 .31 .22 3.3 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 0 1 0 0.0 2405.300 14.49 12.31 0.000 0.000 0.0 0.000 0.000 0.00-.02-.09-1.2 .02 .09 1.2 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 3 0 3 0 0.0 4215.033 20.23 12.12 0.000 0.000 0.0 0.000 0.000 0.00 2.8-2.3-.75 4.5 3.9 .75 -0.660 3 0 3 0 0.0 4502.833 17.84 12.99 0.000 0.000 0.0 0.000 0.000 0.00 .70-1.2-.59 1.3 2.2 .59 -0.540 7 0 7 0 0.0 10316.057 36.58 13.14 0.000 0.000 0.0 0.000 0.000 0.00 .44-.36-.47 1.2 1.7 .47 -0.420 11 0 11 1 0.0 11108.535 41.33 13.84 0.399 0.001 1.0 0.000 0.000 0.00 .29 .13-.36 .69 .45 .36 -0.300 38 0 38 3 0.0 13607.045 44.15 13.63 0.035 0.001 2.4 0.000 0.000 0.00 .18-.08-.24 .31 .58 .24 -0.180 179 4 178 30 0.0 38962.670 102.60 14.17 0.077 0.013 9.1 0.000 0.282 0.00 .09-.04-.10 .22 .16 .10 -0.060 405 6 387 75 0.2 44037.686 110.82 14.73 0.080 -0.001 11.0 0.000 0.297 0.00-.01-.05-.00 .14 .13 .03 0.060 157 1 147 52 1.9 46689.497 117.16 15.45 0.060 -0.010 7.9 0.000 0.223 0.00-.08-.04 .10 .18 .12 .11 0.180 18 0 18 3 11.1 21081.779 93.06 14.16 0.056 -0.014 8.7 0.000 0.000 0.00-.23 .07 .22 .33 .33 .23 0.300 6 0 6 0 16.7 3003.196 17.87 13.66 0.000 0.000 0.0 0.000 0.000 0.00-.34-.05 .34 .38 .21 .34 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 0 0 0 0 0.0 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 1 0 1 0 0.0 377.867 4.58 11.86 0.000 0.000 0.0 0.000 0.000 0.00-1.0-.23 3.4 1.0 .23 3.4 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 666 0 666 0 0.9 32213.992 89.39 14.33 0.000 0.000 0.0 0.000 0.000 0.00 .04-.05-.03 .40 .40 .23 1.000 164 6 82 164 0.6 72095.227 157.74 15.85 0.073 0.000 9.4 0.000 0.311 0.00-.08-.09 .01 .16 .17 .09 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 830 6 748 164 0.8 40094.140 105.66 14.63 0.073 0.000 9.4 0.000 0.311 0.00 .02-.06-.02 .36 .37 .21 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_09.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 116 0 85 62 0.0 114706.71 234.51 16.13 0.071 0.000 14.0 0.000 0.000 0.00-.01-.07 .02 .11 .11 .08 1.838 107 0 88 38 0.0 61016.529 134.99 15.63 0.084 0.000 9.2 0.000 0.000 0.00-.03-.06 .00 .09 .11 .08 1.466 105 0 91 28 1.9 43117.451 97.32 15.29 0.074 0.000 7.5 0.000 0.000 0.00-.09-.03 .01 .12 .19 .09 1.283 90 0 83 14 1.1 24879.873 66.98 15.21 0.035 0.000 1.9 0.000 0.000 0.00-.04-.04-.00 .15 .23 .10 1.167 90 0 87 6 0.0 26806.457 66.01 14.78 0.021 0.000 1.8 0.000 0.000 0.00 .10-.05-.02 .15 .21 .08 1.084 78 0 76 4 3.8 17345.357 52.95 14.31 0.418 0.000 1.1 0.000 0.000 0.00 .07-.02-.03 .20 .19 .13 1.020 72 1 71 2 0.0 15604.217 47.26 13.69 0.190 0.000 9.0 0.000 0.319 0.00 .11-.10-.05 .34 .54 .14 0.969 66 1 65 2 0.0 12135.129 42.26 13.22 0.201 0.000 9.9 0.000 0.502 0.00 .06-.10-.10 .43 .55 .21 0.927 56 1 55 2 1.8 10401.160 40.89 12.70 0.085 0.000 4.0 0.000 0.186 0.00 .04-.01-.12 .25 .18 .47 0.892 50 3 47 6 0.0 8089.246 37.35 12.12 0.135 0.000 5.5 0.000 0.275 0.00 .10-.16-.01 1.2 1.0 .56 0.861 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 36 0 33 7 19.4 406.312 3.96 14.24 0.557 -0.039 2.6 0.000 0.000 0.00-.11-.01 .03 .40 .30 .81 955.850 26 0 26 1 0.0 1446.185 9.42 14.16 0.194 -0.010 2.6 0.000 0.000 0.00 .36-.24-.05 1.6 1.4 .23 1911.699 50 0 49 4 0.0 2859.268 16.26 13.76 0.142 0.006 2.4 0.000 0.000 0.00 .05-.09-.08 .40 .55 .26 3823.398 99 1 96 8 0.0 5439.632 25.58 14.05 0.121 -0.006 4.2 0.000 0.744 0.00 .06-.06-.03 .38 .48 .15 7646.797 155 6 150 19 0.0 11150.854 40.04 14.06 0.127 -0.010 6.2 0.000 0.317 0.00 .01-.03-.03 .17 .17 .13 15293.594 159 3 153 23 0.0 22287.395 60.27 14.46 0.097 0.003 7.3 0.000 0.277 0.00 .04-.06-.04 .17 .25 .12 30587.188 144 0 132 35 0.0 43493.458 88.66 15.13 0.049 -0.004 4.9 0.000 0.000 0.00 .00-.07-.01 .13 .18 .09 61174.375 104 0 89 40 0.0 87234.564 144.67 15.67 0.077 -0.000 12.0 0.000 0.000 0.00-.03-.05 .01 .11 .12 .08 122348.750 44 0 37 19 0.0 173151.93 245.76 15.82 0.072 -0.002 17.4 0.000 0.000 0.00-.02-.07 .01 .11 .11 .08 244697.500 13 0 10 8 0.0 332169.62 388.54 15.12 0.070 0.011 27.1 0.000 0.000 0.00-.07-.09-.00 .13 .14 .08 489395.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 7 0 7 1100.0 68.266 0.79 13.80 1.976 -0.251 1.3 0.000 0.000 0.00-.30 .22 .18 .36 .46 .20 1.900 10 0 10 3 0.0 286.716 2.84 14.45 0.738 -0.119 2.2 0.000 0.000 0.00-.02-.03-.40 .44 .15 1.1 3.610 16 0 16 1 0.0 562.383 4.84 13.85 0.233 0.013 1.0 0.000 0.000 0.00 .37-.49 .20 2.0 1.7 .89 6.860 37 0 37 2 0.0 1563.535 9.79 14.19 0.521 -0.004 4.5 0.000 0.000 0.00 .11-.11-.06 .58 .69 .21 13.034 89 0 86 7 0.0 3856.551 19.70 14.15 0.103 0.002 1.9 0.000 0.000 0.00 .06-.05-.06 .40 .49 .21 24.764 200 6 193 18 0.0 9954.415 37.39 13.93 0.121 -0.005 5.1 0.000 0.338 0.00 .02-.04-.03 .20 .23 .14 47.054 249 3 233 41 0.0 27930.335 67.60 14.74 0.065 -0.001 5.4 0.000 0.277 0.00 .02-.05-.02 .14 .19 .10 89.405 145 0 123 54 0.0 69579.242 126.00 15.33 0.070 -0.003 9.0 0.000 0.000 0.00-.03-.06 .01 .11 .13 .08 169.873 64 0 51 31 0.0 150982.48 230.66 15.98 0.079 0.005 17.8 0.000 0.000 0.00-.01-.07 .02 .10 .12 .08 322.768 13 0 10 6 0.0 320561.85 413.83 14.74 0.063 0.000 27.4 0.000 0.000 0.00-.07-.07-.01 .14 .11 .08 613.277 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 36 0 19 36 0.0 71340.611 148.28 15.77 0.017 0.000 2.0 0.000 0.000 0.00-.08-.12 .03 .11 .27 .09 0.030 41 1 23 41 0.0 80708.293 160.23 15.98 0.048 0.008 6.7 0.000 0.106 0.00-.08-.09 .02 .14 .14 .09 0.060 19 1 13 19 0.0 98978.705 189.55 16.45 0.077 0.025 11.9 0.000 0.157 0.00-.11-.08 .01 .13 .10 .08 0.090 21 2 19 21 0.0 97679.191 202.18 14.95 0.104 0.030 16.1 0.000 0.185 0.00-.14-.11 .02 .19 .17 .08 0.120 18 0 18 18 0.0 81578.200 157.08 16.84 0.132 -0.049 18.2 0.000 0.000 0.00-.09-.07 .04 .12 .08 .08 0.150 10 2 10 10 0.0 28636.770 86.05 15.24 0.170 -0.073 12.7 0.000 0.327 0.00-.11-.10-.02 .14 .13 .08 0.180 3 0 3 3 0.0 52586.167 114.40 16.51 0.191 -0.191 17.0 0.000 0.000 0.00-.17 .00 .07 .19 .08 .09 0.210 4 2 4 4 0.0 10099.194 44.40 14.05 0.228 0.075 9.2 0.000 0.450 0.00 .01-.17-.05 .20 .19 .08 0.240 3 1 3 3 0.0 14103.567 50.57 15.87 0.255 -0.255 13.1 0.000 0.502 0.00-.07-.08-.01 .09 .08 .03 0.270 1 0 1 1 0.0 1971.600 14.00 17.65 0.286 0.286 4.0 0.000 0.000 0.00-.02-.02 .03 .02 .02 .03 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.330 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.360 2 1 2 2 0.0 3512.636 22.66 14.33 0.373 -0.276 7.1 0.000 0.744 0.00 .53 .18-.12 .62 .31 .12 0.390 1 0 1 1 0.0 300.885 2.54 15.51 0.399 0.399 1.0 0.000 0.000 0.00 .17 .02-.39 .17 .02 .39 0.420 2 0 2 2 0.0 4400.946 31.55 16.52 0.438 -0.438 11.7 0.000 0.000 0.00 .28-.02-.07 .39 .06 .22 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.480 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.510 0 0 0 0 0.0 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 3 0 3 3 33.3 371.983 4.19 15.34 0.918 -0.918 3.9 0.000 0.000 0.00 .06-.04-.12 .06 .11 .16 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 3 0 3 3 33.3 371.983 4.19 15.34 0.918 -0.918 3.9 0.000 0.000 0.00 .06-.04-.12 .06 .11 .16 -0.460 2 0 2 2 0.0 4400.946 31.55 16.52 0.438 -0.438 11.7 0.000 0.000 0.00 .28-.02-.07 .39 .06 .22 -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 6133.600 29.25 11.85 0.372 -0.372 10.9 0.000 0.744 0.00 .85 .43-.15 .85 .43 .15 -0.340 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.300 1 0 1 1 0.0 15021.200 61.56 17.11 0.267 -0.267 16.4 0.000 0.000 0.00 .01-.08 .03 .01 .08 .03 -0.260 3 2 3 3 0.0 13494.200 44.42 14.43 0.244 -0.244 10.9 0.000 0.486 0.00-.05-.08-.02 .09 .08 .02 -0.220 3 0 3 3 0.0 52586.167 114.40 16.51 0.191 -0.191 17.0 0.000 0.000 0.00-.17 .00 .07 .19 .08 .09 -0.180 7 0 7 7 0.0 32206.086 100.77 16.05 0.168 -0.168 14.1 0.000 0.000 0.00-.11-.08 .02 .12 .09 .08 -0.140 14 1 14 14 0.0 114774.61 203.64 16.85 0.121 -0.121 20.8 0.000 0.223 0.00-.10-.05 .05 .17 .10 .09 -0.100 11 1 11 11 0.0 72892.146 152.88 15.86 0.073 -0.073 9.9 0.000 0.186 0.00-.08-.04 .03 .11 .06 .08 -0.060 27 1 27 27 0.0 64008.508 136.46 16.24 0.044 -0.044 5.1 0.000 0.119 0.00-.07-.07 .03 .11 .09 .09 -0.020 20 0 10 20 0.0 90165.670 170.65 16.15 0.013 0.000 1.8 0.000 0.000 0.00-.08-.08 .05 .10 .09 .08 0.020 30 1 30 30 0.0 78191.963 159.15 15.38 0.044 0.044 5.8 0.000 0.106 0.00-.07-.14-.00 .15 .32 .10 0.060 16 2 16 16 0.0 102416.88 199.33 16.18 0.086 0.086 13.3 0.000 0.168 0.00-.12-.10 .01 .13 .12 .07 0.100 15 0 15 15 0.0 88535.594 172.79 15.38 0.116 0.116 17.4 0.000 0.000 0.00-.13-.14-.01 .16 .18 .06 0.140 5 2 5 5 0.0 17165.780 58.62 13.95 0.166 0.166 9.4 0.000 0.327 0.00-.14-.14-.00 .19 .17 .11 0.180 1 1 1 1 0.0 10697.000 42.45 11.62 0.213 0.213 9.1 0.000 0.427 0.00-.29-.24-.03 .29 .24 .03 0.220 2 0 2 2 0.0 8253.338 48.68 15.91 0.233 0.233 9.1 0.000 0.000 0.00 .14-.18-.08 .18 .20 .11 0.260 1 0 1 1 0.0 1971.600 14.00 17.65 0.286 0.286 4.0 0.000 0.000 0.00-.02-.02 .03 .02 .02 .03 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.340 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.380 2 0 2 2 0.0 596.279 5.45 16.16 0.386 0.386 2.2 0.000 0.000 0.00 .19-.03-.24 .19 .06 .28 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.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 0 8 14 0.0 44766.634 107.20 16.14 0.005 -0.000 0.6 0.000 0.000 0.00-.08-.09 .02 .14 .12 .08 1.000 18 0 10 18 5.6 18462.746 65.46 15.49 0.023 0.000 1.4 0.000 0.000 0.00-.03-.13-.02 .18 .37 .15 2.000 17 1 9 17 0.0 41051.359 101.15 15.64 0.025 0.003 2.5 0.000 0.106 0.00-.07-.05 .03 .18 .13 .09 3.000 7 1 5 7 0.0 40381.210 98.89 14.52 0.035 -0.001 3.5 0.000 0.157 0.00-.09-.13-.02 .15 .16 .09 4.000 8 2 6 8 0.0 18837.156 62.16 15.46 0.070 0.010 4.3 0.000 0.185 0.00-.15-.08-.02 .22 .11 .10 5.000 16 0 11 16 0.0 39612.641 100.33 16.39 0.056 -0.009 5.6 0.000 0.000 0.00-.08-.08 .01 .12 .09 .09 6.000 7 0 6 7 0.0 108983.56 184.99 16.28 0.035 0.021 6.4 0.000 0.000 0.00-.14-.15 .02 .15 .19 .08 7.000 7 0 7 7 0.0 105511.21 220.39 16.25 0.033 -0.004 7.2 0.000 0.000 0.00-.07-.09 .06 .10 .10 .10 8.000 5 1 4 5 0.0 85804.620 152.90 14.94 0.055 0.001 8.4 0.000 0.319 0.00-.08-.07 .01 .14 .07 .04 9.000 9 3 7 9 0.0 46730.278 131.09 14.30 0.072 -0.013 9.5 0.000 0.397 0.00-.07-.09 .03 .13 .13 .10 10.000 3 2 3 3 0.0 34681.966 95.25 14.09 0.112 0.002 10.7 0.000 0.578 0.00 .24 .07-.03 .49 .26 .11 11.000 3 0 3 3 0.0 108357.97 183.25 15.95 0.064 0.064 11.7 0.000 0.000 0.00-.14-.07 .00 .15 .07 .07 12.000 8 0 7 8 0.0 99429.625 175.60 17.30 0.071 -0.015 12.5 0.000 0.000 0.00-.09-.08-.03 .11 .09 .06 13.000 5 0 5 5 0.0 90583.020 184.70 15.16 0.073 0.009 13.4 0.000 0.000 0.00-.08-.12 .05 .10 .12 .06 14.000 5 0 5 5 0.0 92007.541 163.94 15.98 0.087 0.021 14.2 0.000 0.000 0.00-.09-.08 .04 .13 .12 .11 15.000 2 0 2 2 0.0 76569.549 141.91 16.36 0.110 -0.110 15.6 0.000 0.000 0.00-.06 .04 .11 .06 .04 .12 16.000 4 0 3 4 0.0 27098.525 89.89 14.85 0.181 -0.108 16.4 0.000 0.000 0.00-.09-.13-.01 .12 .16 .09 17.000 2 0 2 2 0.0 61957.000 149.19 17.04 0.116 0.116 17.2 0.000 0.000 0.00-.07-.09-.01 .10 .09 .01 18.000 1 0 1 1 0.0 86705.500 149.54 19.32 0.122 -0.122 18.3 0.000 0.000 0.00-.07-.04 .06 .07 .04 .06 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 1 0 1 1 0.0 108464.00 147.37 14.86 0.140 0.140 20.6 0.000 0.000 0.00-.20-.08-.09 .20 .08 .09 21.000 2 0 2 2 0.0 275657.00 306.97 17.56 0.070 0.070 21.5 0.000 0.000 0.00-.09-.09-.03 .09 .09 .08 22.000 4 0 4 4 0.0 118493.73 221.01 16.75 0.101 -0.053 22.3 0.000 0.000 0.00-.06-.06 .05 .08 .08 .09 23.000 2 0 2 2 0.0 100058.90 182.16 16.18 0.130 0.017 23.7 0.000 0.000 0.00-.07-.08 .05 .09 .09 .06 24.000 14 0 8 14 0.0 200351.56 282.80 16.48 0.114 -0.013 31.8 0.000 0.000 0.00-.08-.12 .00 .13 .19 .07 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 830 6 748 164 0.8 40094.140 105.66 14.63 0.073 0.000 9.4 0.000 0.311 0.00 .02-.06-.02 .36 .37 .21 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 21 0 21 0 9.5 48124.912 141.39 14.56 0.000 0.000 0.0 0.000 0.000 0.00 .01 .05-.03 .53 .35 .14 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_09.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.838 85 187 45.45 1.36 0.071 0 0.00 0.071 234.51 0.0 to 1.466 173 350 49.43 1.29 0.074 0 0.00 0.084 134.99 0.0 to 1.283 264 510 51.76 1.24 0.074 0 0.00 0.074 97.32 1.9 to 1.167 347 680 51.03 1.20 0.073 0 0.00 0.035 66.98 1.1 to 1.084 434 839 51.73 1.17 0.072 0 0.00 0.021 66.01 0.0 to 1.020 510 1001 50.95 1.15 0.072 0 0.00 0.418 52.95 3.8 to 0.969 581 1172 49.57 1.13 0.072 1 0.09 0.190 47.26 0.0 to 0.927 646 1331 48.53 1.12 0.072 2 0.15 0.201 42.26 0.0 to 0.892 701 1479 47.40 1.11 0.072 3 0.20 0.085 40.89 1.8 to 0.861 748 1648 45.39 1.11 0.073 6 0.36 0.135 37.35 0.0