SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:22:53 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 5 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-): 40.94 (from frame neal054_04_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_04_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_04_0001.sfrm) Base offset per exposure: 64 (from frame neal054_04_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_04_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 10:22:53 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_04_0001.sfrm Nominal time per frame (s): 26 Intensity normalization in deg/min: 2.30769 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:22:54 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_04_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 10:22:54 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_04_0001.sfrm Active pixel mask written to neal054_am_04_0001.sfrm Fraction of mask marked active: 0.9548 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): 62.435 60.860 180.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 80 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 10:22:54 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.27% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 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 19 0.78 0.78 2.27 1.000 2_0003 6 -0.12 -0.61 -0.14 0.25 0.75 0.31 7024.0 21 0 0.15 25 0.78 0.78 2.27 1.000 3_0004 6 0.65 -0.54 -0.01 2.07 0.82 0.28 23448 36 17 0.49 28 0.78 0.78 2.27 1.000 4_0005 6 0.18 -0.82 -0.13 0.40 0.89 0.34 12761 33 0 0.65 27 0.78 0.78 2.27 1.000 5_0006 1 0.15 -0.82 0.11 0.15 0.82 0.11 1970.6 7 0 0.31 24 0.78 0.78 2.27 1.000 6_0007 7 0.15 -0.89 -0.22 0.66 0.98 0.47 32379 43 0 0.47 28 0.78 0.78 2.27 1.000 7_0008 12 0.01 -0.65 -0.06 0.50 0.81 0.44 35492 46 8 0.53 27 0.78 0.78 2.27 1.000 8_0009 12 0.11 -0.79 0.08 0.29 0.97 0.27 42259 60 0 0.58 29 0.78 0.78 2.27 1.000 9_0010 6 0.01 -0.97 0.13 0.26 1.29 0.34 12051 20 0 0.53 28 0.78 0.78 2.27 1.000 10_0011 15 -0.05 -0.66 0.03 0.15 0.72 0.36 9609.1 26 0 0.59 27 0.78 0.78 2.27 1.000 11_0012 12 -0.04 -0.61 -0.16 0.36 0.77 0.29 3905.2 18 8 0.51 27 0.78 0.78 2.27 1.000 12_0013 9 0.27 -0.72 0.06 0.55 0.79 0.28 25446 41 11 0.62 26 0.78 0.78 2.27 1.000 13_0014 12 0.34 -0.47 -0.04 1.10 0.68 0.23 27246 42 8 0.49 26 0.78 0.78 2.27 1.000 14_0015 10 -0.00 -0.61 -0.04 0.32 0.66 0.26 32911 40 0 0.60 25 0.78 0.78 2.27 1.000 15_0016 6 0.31 -0.78 -0.03 0.63 0.92 0.45 126491 103 0 0.57 34 0.78 0.78 2.27 1.000 16_0017 4 -0.16 -0.73 -0.29 0.34 0.82 0.37 5702.5 16 0 0.61 27 0.78 0.78 2.27 1.000 17_0018 12 0.11 -0.90 -0.04 0.84 1.13 0.30 73347 81 0 0.47 31 0.78 0.78 2.27 1.000 18_0019 5 0.15 -1.20 0.19 0.27 1.31 0.42 72455 72 0 0.48 29 0.78 0.78 2.27 1.000 19_0020 8 0.07 -0.55 -0.08 0.26 0.63 0.32 70650 81 0 0.64 31 0.78 0.78 2.27 1.000 Background pixels updated = 91.50% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 -0.05 -0.52 -0.02 0.24 0.60 0.22 13445 35 13 0.52 30 0.78 0.78 2.27 1.000 21_0022 3 -0.06 -0.55 -0.05 0.11 0.56 0.22 10448 29 0 0.69 36 0.78 0.78 2.27 1.000 22_0023 11 0.11 -0.62 -0.06 0.38 0.81 0.37 29537 46 0 0.54 24 0.78 0.78 2.27 1.000 23_0024 16 0.39 -0.48 -0.15 0.80 0.72 0.52 72904 58 13 0.61 28 0.78 0.78 2.27 1.000 24_0025 11 0.14 -0.47 0.03 0.30 0.50 0.17 11248 25 9 0.57 26 0.78 0.78 2.27 1.000 25_0026 13 0.01 -0.50 -0.11 0.31 0.63 0.26 50994 54 8 0.62 26 0.78 0.78 2.27 1.000 26_0027 7 0.44 -0.78 0.14 0.75 0.92 0.45 23781 38 0 0.66 30 0.78 0.78 2.27 1.000 27_0028 8 0.18 -0.41 -0.02 0.29 0.49 0.16 3037.6 12 13 0.59 28 0.78 0.78 2.27 1.000 28_0029 9 0.67 -0.73 -0.22 1.27 1.06 0.77 34130 43 11 0.63 26 0.78 0.78 2.27 1.000 29_0030 7 -0.12 -0.47 -0.01 0.23 0.48 0.20 37556 55 0 0.65 28 0.78 0.78 2.27 1.000 30_0031 9 0.26 -0.68 -0.32 0.62 0.81 0.84 61984 56 11 0.63 27 0.78 0.78 2.27 1.000 31_0032 11 0.17 -0.68 0.05 0.34 0.78 0.39 64210 60 0 0.60 34 0.78 0.78 2.27 1.000 I/Sigma = 36.13 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.053 Region 1 Sum = 6879.91; Maximum = 81.9846; FM = 0.347 !Region 1: Section 1->3 0 1 1 1 0 0 0 0 0 6 15 7 3 1 1 1 1 0 22 49 32 20 14 7 3 2 1 0 1 0 0 1 0 0 0 0 10 21 13 7 4 2 1 1 0 36 71 54 33 20 10 5 3 1 0 0 1 1 1 0 0 0 0 6 16 10 5 3 2 1 1 0 21 51 37 24 14 8 5 2 1 0 0 1 1 1 1 0 0 0 3 8 5 3 2 2 1 1 0 11 25 19 16 10 7 4 3 1 0 0 0 1 1 1 0 0 0 1 4 3 3 2 1 0 0 0 5 13 11 10 7 4 2 1 1 0 0 0 0 1 0 0 0 0 1 3 3 2 2 1 1 0 0 3 8 8 7 5 3 2 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 2 1 1 1 0 1 4 4 3 3 2 1 1 1 0 0 0 1 1 1 0 0 0 0 1 1 1 2 1 1 1 0 1 2 2 2 2 2 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 0 0 1 1 !Region 1: Section 4->6 30 70 66 57 48 29 11 5 2 16 45 57 62 63 56 33 18 6 3 13 22 33 45 60 49 31 12 42 86 86 73 55 38 20 9 3 19 48 70 86 93 87 60 34 10 4 15 33 58 84100 89 65 22 25 60 62 56 43 29 17 8 2 13 35 53 69 80 74 53 32 9 3 11 25 47 77 91 83 64 22 13 30 33 34 29 22 13 7 3 7 20 31 43 54 57 44 30 11 3 9 19 35 57 75 76 63 26 7 17 20 21 18 13 8 5 2 4 13 21 29 36 36 27 18 6 2 7 14 24 37 48 49 42 17 4 11 13 14 12 8 5 4 1 3 9 14 20 25 26 21 14 5 2 5 10 19 30 40 40 35 14 2 5 6 7 6 4 3 2 1 2 5 8 12 14 14 11 8 3 1 3 7 13 19 22 24 22 10 1 3 4 4 4 3 2 2 1 1 3 4 5 7 7 5 4 1 1 2 3 5 8 11 11 9 4 1 1 1 2 1 1 1 1 1 1 1 1 3 3 3 3 2 1 0 1 1 3 6 6 6 5 2 !Region 1: Section 7->9 1 3 6 11 18 33 34 24 10 0 1 1 2 3 8 9 7 3 0 0 0 0 0 1 0 0 0 1 4 9 18 33 49 57 55 21 0 1 1 2 4 9 14 18 7 0 1 1 0 1 1 1 1 0 1 3 7 15 31 46 55 55 22 0 0 1 1 4 8 14 18 8 0 0 0 0 1 0 0 1 0 1 3 6 14 25 41 55 56 25 0 0 0 2 4 9 15 19 9 1 0 0 0 0 1 1 1 0 1 3 5 9 16 28 39 43 20 0 1 1 1 3 7 12 17 9 0 0 1 0 0 1 1 1 1 1 2 4 8 14 24 32 37 17 0 1 0 1 2 6 9 14 7 0 1 0 0 0 1 1 1 1 1 1 3 6 9 15 22 26 13 0 1 0 1 2 5 7 11 6 0 1 0 1 1 1 0 1 1 1 1 1 2 5 8 11 12 6 0 1 0 0 1 3 4 5 4 0 1 0 0 0 1 0 1 1 0 1 1 2 3 4 6 6 4 0 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 I/Sigma = 246.49 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.035 Region 2 Sum = 309669; Maximum = 4295.33; FM = 0.83 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 5 7 6 3 2 1 0 1 4 13 19 17 9 6 3 1 0 0 0 0 0 0 0 0 0 1 4 12 21 16 9 5 2 0 2 11 35 55 42 26 13 6 1 0 0 1 1 0 0 0 0 0 1 6 19 28 23 12 5 2 0 3 21 53 75 59 30 13 5 1 0 0 1 1 1 0 0 0 0 1 6 16 28 27 15 4 1 0 5 24 48 77 73 39 12 3 0 0 0 0 1 0 0 0 0 0 1 3 8 19 24 14 3 1 0 4 18 33 59 65 36 9 1 0 0 0 0 0 0 0 0 0 0 0 1 3 9 13 7 2 0 0 2 10 20 36 37 20 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 2 0 0 0 1 4 10 17 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 1 4 13 18 20 17 10 5 1 0 2 8 11 21 26 14 7 1 0 1 3 4 13 17 9 4 1 2 14 40 56 48 35 19 8 1 1 8 24 40 50 49 28 11 2 0 2 8 20 35 38 23 10 2 5 29 62 83 69 44 23 10 1 4 20 42 63 70 63 39 19 3 1 5 14 29 41 44 29 15 2 11 42 68 96 90 59 26 9 1 8 31 56 84 90 81 49 20 3 2 9 21 40 53 55 38 17 3 10 39 65 92 90 55 21 6 1 7 31 60 93100 77 40 15 2 2 10 24 46 57 53 32 14 2 5 23 50 73 61 35 13 3 0 3 19 49 78 76 56 27 9 1 1 7 22 38 44 39 22 8 1 1 9 28 40 28 17 6 1 0 1 8 27 46 46 36 15 4 1 1 4 13 24 31 28 14 5 1 0 2 9 12 10 6 2 1 0 0 2 10 18 21 16 6 1 0 1 2 6 12 16 13 6 2 1 0 0 1 2 2 1 0 0 0 0 1 2 5 5 3 1 0 0 0 1 2 4 5 3 1 1 0 !Region 2: Section 7->9 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 9 6 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 9 10 6 3 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 8 12 12 8 4 1 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 12 12 8 4 1 0 1 2 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 9 9 9 6 3 1 0 1 3 4 3 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 7 8 8 8 5 3 1 0 2 3 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 3 5 5 5 5 4 2 1 1 2 3 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 138.65 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.053 Region 3 Sum = 98173.5; Maximum = 1428.03; FM = 0.503 !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 2 5 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 11 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 11 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 10 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 8 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 6 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 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3: Section 4->6 0 0 1 3 8 21 38 31 8 0 0 1 4 11 30 51 46 13 0 0 1 2 7 19 28 29 9 0 1 2 9 27 51 61 49 18 0 1 4 13 40 79 96 78 29 0 1 2 7 26 59 72 60 22 0 1 2 8 26 49 61 50 19 0 1 3 13 43 84100 81 30 0 1 2 10 40 77 87 66 24 0 1 2 8 24 45 56 43 15 0 1 3 15 45 80 96 75 25 0 1 4 19 53 85 93 70 23 0 1 2 6 19 39 46 30 8 0 1 5 19 43 72 82 59 17 0 1 9 32 63 85 87 63 19 0 1 2 5 14 29 31 15 3 0 2 7 17 36 57 59 35 9 0 3 14 33 61 77 70 45 13 0 1 1 3 9 15 13 5 1 0 2 7 14 28 37 31 16 4 1 5 15 29 52 59 45 25 8 0 1 1 2 5 6 4 2 1 1 2 6 10 18 20 14 7 2 1 5 13 24 38 38 25 14 5 0 0 0 1 2 1 1 1 0 0 1 2 5 6 6 4 2 1 0 2 5 13 14 12 8 6 2 !Region 3: Section 7->9 0 0 0 1 2 7 10 10 3 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 9 24 31 25 9 0 0 0 0 1 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 1 5 19 38 43 29 11 0 0 0 1 2 4 6 5 2 0 0 0 0 0 0 0 0 0 0 0 2 11 30 49 51 35 11 0 0 0 1 3 7 9 6 2 0 0 0 0 0 0 0 0 0 0 1 6 19 40 53 51 34 11 0 0 1 2 5 9 9 6 2 0 0 0 0 0 0 1 1 0 0 2 9 22 42 52 44 26 8 0 0 1 3 7 9 8 5 2 0 0 0 0 1 1 1 1 0 1 3 11 22 38 43 31 17 6 0 1 2 4 7 9 7 5 2 0 0 0 1 1 1 1 0 0 1 4 11 19 30 31 20 12 5 0 1 3 5 7 8 6 4 2 0 0 1 1 1 1 0 0 0 0 2 5 11 11 9 8 6 2 0 1 2 3 3 2 3 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 40.20 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 4 Sum = 8850.21; Maximum = 194.428; FM = 0.166 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 0 1 1 1 3 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 2 1 1 0 0 0 0 0 1 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 1 1 1 0 0 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 1 3 6 12 12 15 9 5 2 1 4 9 18 27 33 35 26 13 1 2 4 10 25 36 59 51 27 2 4 8 15 22 24 17 9 2 2 5 12 25 47 63 63 47 23 1 3 7 16 41 81100 93 51 1 2 4 8 14 15 12 7 2 1 2 6 15 30 44 47 38 21 1 1 4 11 27 60 79 75 49 0 1 3 6 8 10 8 5 2 1 2 4 9 18 30 36 32 17 1 1 3 7 17 44 62 69 43 0 1 2 3 6 6 6 4 2 1 2 2 5 12 22 27 27 16 1 1 2 4 12 36 51 59 39 1 1 1 2 3 3 3 2 1 1 2 2 4 7 14 21 21 12 1 1 1 3 8 25 42 51 33 1 1 1 1 1 2 2 1 1 1 2 2 2 4 9 15 16 10 0 1 1 2 6 18 31 39 28 0 1 1 1 1 1 1 1 1 0 1 1 2 3 6 9 12 10 0 1 1 2 4 12 21 30 26 0 0 0 1 1 0 0 1 0 0 0 1 1 1 2 3 3 4 0 0 1 1 2 3 7 8 10 !Region 4: Section 7->9 0 1 1 2 10 17 33 32 19 0 0 0 1 1 2 2 4 3 0 0 0 0 0 0 0 0 0 1 1 2 4 13 38 55 61 36 0 1 1 1 1 2 5 9 6 0 0 0 0 0 1 0 1 1 0 1 1 4 9 29 44 50 36 0 0 0 1 1 2 4 8 7 0 0 0 0 0 0 0 1 1 0 0 1 2 7 23 35 47 33 0 0 0 0 1 2 3 8 7 0 0 0 0 0 0 0 0 0 0 0 1 2 5 20 30 41 30 0 0 1 0 0 1 2 6 6 0 0 1 0 0 0 0 0 0 0 0 0 1 4 14 25 36 27 0 0 0 0 0 1 2 5 6 0 0 0 0 0 0 0 0 0 0 0 0 1 3 11 19 28 23 0 0 0 0 0 1 2 5 5 0 0 0 0 0 1 0 0 0 0 0 1 1 2 7 13 21 20 0 0 0 0 0 1 1 3 4 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 5 6 7 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 17.56 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 5 Sum = 1695.43; Maximum = 36.931; FM = 0.149 !Region 5: Section 1->3 0 0 0 -1 0 0 0 0 0 0 1 1 -1 -1 0 0 1 0 1 3 3 0 0 1 1 1 0 0 0 0 1 0 -2 -1 -2 -1 1 2 1 2 -1 -1 0 -1 -1 2 6 5 3 -1 0 -1 -1 -1 0 3 0 0 -1 -1 -1 -2 -2 1 2 0 1 0 -1 -1 -1 0 1 2 0 3 2 0 -2 0 1 0 1 -2 -2 0 0 -1 0 -2 -1 1 -3 -1 2 0 -2 0 -1 -1 3 -2 2 4 0 -2 1 1 -1 -1 -1 -1 0 -1 -1 0 0 -1 0 -2 -1 0 -2 -1 0 0 0 1 -3 0 1 -2 -2 0 1 -1 -2 0 -1 0 -1 -2 0 0 -1 -2 -1 0 -1 -2 0 0 0 0 -2 -1 1 -2 -2 2 -1 0 0 -1 -1 0 -1 0 0 1 -1 -1 -3 -2 -1 0 -1 0 1 0 -2 -3 -2 -2 0 -1 0 1 2 0 -1 1 -1 0 0 0 -1 -1 1 0 0 -2 1 2 1 0 -1 1 0 1 -2 0 2 0 0 -1 0 -1 0 0 0 0 0 0 -1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 !Region 5: Section 4->6 0 7 15 21 16 14 16 4 1 1 12 32 49 59 55 50 23 9 1 8 23 36 68 68 58 41 16 3 12 23 25 24 20 18 6 2 3 18 46 65 82 80 74 50 22 3 13 34 57 85100 96 90 41 1 5 9 13 16 14 15 8 3 1 8 23 33 53 58 58 40 17 0 5 19 30 56 70 69 69 34 0 4 5 8 12 11 13 9 4 1 6 12 18 30 36 41 30 13 0 4 9 17 28 39 46 50 22 1 3 3 3 4 2 4 3 2 1 5 7 9 9 14 19 15 5 1 3 5 8 9 19 24 29 15 1 2 1 0 1 2 4 0 0 2 7 4 3 6 9 12 5 3 1 5 3 3 7 10 15 16 13 -1 1 2 1 1 2 3 1 2 2 6 6 4 4 5 6 2 3 2 5 4 4 5 6 5 8 7 1 1 3 0 2 3 2 -1 0 1 1 5 2 6 5 5 0 1 2 2 4 2 7 5 4 3 1 0 3 2 1 1 -1 0 -1 0 -1 3 1 1 3 0 0 -1 1 -1 3 1 1 3 1 0 0 1 !Region 5: Section 7->9 0 1 4 8 22 28 30 30 14 0 1 1 2 0 4 7 8 5 0 1 1 1 0 0 0 0 0 2 3 8 15 26 39 48 69 35 1 1 1 1 1 5 10 19 11 -1 0 0 0 0 0 1 -1 0 -1 1 5 9 22 25 29 57 34 0 0 -1 2 8 2 3 19 13 0 0 -1 0 2 0 1 2 1 -1 -1 2 3 10 14 21 48 24 -1 -2 -2 -1 3 1 4 18 9 0 -1 -2 0 1 -1 0 1 0 0 -2 2 1 0 6 12 29 21 -1 -2 0 -1 -1 0 2 10 9 0 0 0 0 0 1 1 0 0 -1 0 1 -1 1 2 8 19 18 -1 0 1 -2 -1 -1 1 7 7 0 2 1 -2 0 0 -1 1 0 1 4 1 0 1 3 3 11 9 1 3 0 0 0 2 2 4 2 1 1 0 0 0 1 0 0 -2 2 4 1 0 3 3 2 4 2 2 4 -1 2 1 2 0 1 0 1 3 -1 3 0 1 0 1 -1 0 2 0 0 1 1 0 0 1 1 2 -1 1 0 2 0 1 0 1 1 -1 1 0 0 1 1 0 I/Sigma = 14.54 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 6 Sum = 1108.03; Maximum = 32.6114; FM = 0.176 !Region 6: Section 1->3 0 1 0 0 0 0 1 0 0 1 2 2 1 1 1 2 1 0 1 2 2 1 1 1 2 1 1 1 0 0 0 -1 0 1 0 0 3 3 2 0 -1 1 2 0 -1 3 3 3 0 0 1 2 0 -1 1 0 0 0 0 0 1 0 0 3 1 2 0 -1 1 4 1 0 3 3 3 0 0 1 4 2 0 0 0 0 2 0 1 1 1 1 2 0 2 6 1 2 3 3 3 2 1 2 5 1 1 3 2 2 1 0 0 0 0 0 0 0 0 0 -1 0 2 1 1 1 0 1 1 0 0 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 -1 1 0 0 0 0 2 1 0 0 0 0 -1 0 0 1 0 0 0 0 0 1 0 0 0 2 1 0 0 -1 1 1 0 2 2 1 0 0 -1 1 0 -1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 -1 0 0 0 1 2 2 0 1 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 -1 -1 -1 0 0 0 -1 -1 1 -1 -1 0 0 !Region 6: Section 4->6 4 12 27 35 23 22 18 13 3 10 30 69 94 68 61 51 37 9 6 19 44 61 50 43 36 26 7 5 17 32 37 33 22 20 15 3 9 40 81100 94 62 53 39 9 5 24 50 65 66 42 35 25 7 2 9 19 24 22 15 12 9 3 2 18 47 65 64 41 31 23 7 1 11 28 42 45 28 20 14 5 2 5 8 13 13 7 8 7 2 4 12 20 33 35 21 19 16 5 3 8 12 22 25 14 12 9 3 1 4 5 7 4 2 3 5 2 1 9 12 16 12 7 6 11 5 1 5 7 10 8 5 4 6 3 1 2 3 3 2 3 1 3 1 2 5 6 8 6 7 4 7 3 1 2 3 5 4 4 2 4 1 1 0 1 0 0 1 1 2 1 1 0 1 1 1 3 3 4 1 1 0 0 1 1 2 1 2 0 1 1 1 -1 1 0 1 1 1 1 2 2 -1 1 1 2 2 1 1 1 2 0 0 1 1 1 1 0 1 1 0 1 0 0 0 0 0 2 1 0 -1 0 0 0 0 0 1 1 0 0 0 0 0 0 !Region 6: Section 7->9 0 3 5 6 7 5 5 4 2 0 1 1 -1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 2 4 8 10 4 5 4 3 -1 0 -1 2 3 -1 2 2 2 0 0 0 1 1 -1 1 1 1 0 0 1 4 6 4 3 0 1 0 0 -2 0 1 1 2 -2 0 0 0 -1 0 1 0 0 -1 0 0 1 2 2 1 2 1 1 0 -1 1 1 -1 -3 1 0 -1 0 0 0 0 -1 -1 1 0 -1 0 -1 -1 1 0 0 1 2 1 0 -1 -2 1 -2 -3 1 1 0 0 0 -1 1 -1 -1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 -1 -1 -1 -1 -1 2 0 1 0 0 0 0 -1 -1 1 0 0 1 0 0 0 -1 -1 0 0 1 0 0 0 1 -1 -2 0 0 1 1 0 0 0 0 -1 0 0 0 1 -1 1 1 1 -1 0 1 0 0 -1 0 1 1 -1 0 1 0 1 0 0 0 0 0 0 1 1 1 -1 0 0 0 -1 0 0 0 -1 -1 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 17.82 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 1639.52; Maximum = 33.7985; FM = 0.21 !Region 7: Section 1->3 0 0 0 -1 0 -1 0 1 0 5 7 4 1 1 0 0 1 0 25 38 27 15 11 6 3 1 0 0 0 2 0 -1 -3 -1 1 1 12 15 7 3 2 -1 0 0 0 50 71 44 24 20 10 4 0 0 0 0 2 1 0 -1 -5 0 0 9 12 8 3 2 1 -3 0 0 37 55 36 19 15 10 3 0 1 1 1 0 0 1 0 -2 0 1 4 9 6 2 1 1 0 1 1 21 37 24 12 8 5 4 2 0 1 1 -1 1 1 1 -1 1 0 5 5 1 2 2 1 0 1 0 15 17 10 7 5 2 0 1 0 -1 -2 -1 0 0 0 -1 2 0 2 1 0 2 2 0 -1 1 -1 8 7 6 7 3 1 1 1 -1 -2 -3 -4 -3 0 0 -1 0 -2 -1 -1 -2 -2 0 0 -1 -1 -2 3 3 2 2 0 0 -1 0 -1 -1 -2 -3 0 0 2 0 0 -2 0 -1 -1 0 -1 1 0 1 -1 2 3 2 0 0 1 0 1 0 0 -1 0 0 0 1 0 0 0 0 -1 1 0 1 1 0 0 0 0 1 2 0 0 1 0 0 0 !Region 7: Section 4->6 36 56 43 30 23 18 7 3 1 18 30 25 29 32 39 18 10 4 3 8 7 19 28 43 28 19 8 64100 77 50 45 29 14 3 1 28 51 53 57 58 56 38 22 8 4 12 20 40 49 60 54 43 17 49 78 59 38 34 22 10 3 1 24 41 40 43 46 37 26 17 5 4 10 16 32 38 39 34 29 12 31 50 37 26 21 12 7 3 -1 16 27 30 29 30 25 14 9 2 2 9 17 21 25 27 19 17 5 20 23 19 15 10 5 2 1 -1 10 15 20 19 16 13 8 5 0 1 6 13 15 14 14 11 9 2 10 9 10 10 5 2 1 1 -1 5 8 9 11 9 5 2 2 0 1 4 6 8 8 6 2 4 0 3 6 4 2 1 1 0 1 -2 2 5 5 3 3 2 1 2 -1 2 3 4 5 4 2 1 2 0 3 4 3 1 1 1 -1 0 0 2 4 3 4 2 1 1 0 0 1 3 2 7 3 2 2 1 1 1 1 2 1 -1 1 0 0 0 0 2 2 2 0 1 1 0 0 0 1 0 2 1 2 2 1 1 !Region 7: Section 7->9 1 2 2 6 9 16 15 12 5 0 1 0 0 -1 0 1 2 1 0 0 -1 0 -1 -1 0 1 1 2 4 6 11 15 24 28 28 12 2 1 -1 0 -1 1 3 5 2 1 1 -2 0 1 1 1 2 0 2 3 5 10 12 17 16 18 9 2 1 1 1 0 2 2 2 2 2 1 1 1 1 1 0 -1 0 1 3 4 8 9 12 10 10 5 2 0 -1 2 1 3 3 1 2 1 0 -1 0 0 1 1 -1 0 1 2 3 5 5 6 6 5 2 3 3 -2 0 2 2 1 -1 0 2 2 -1 1 1 1 0 -1 -1 1 2 1 3 3 2 1 2 0 2 2 0 0 2 2 0 0 0 0 1 0 0 2 1 0 0 0 1 2 1 3 2 2 1 1 0 0 0 0 -1 1 2 0 1 1 -1 0 -1 -2 1 1 -2 -1 1 1 1 0 5 2 2 1 0 1 0 0 1 0 1 1 0 1 0 0 -1 0 -3 1 1 -1 0 0 0 -1 -1 1 1 2 1 1 1 0 -2 -1 0 1 0 1 0 0 0 -2 -1 -2 0 0 0 0 0 I/Sigma = 42.74 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 8 Sum = 8187.18; Maximum = 150.344; FM = 0.278 !Region 8: Section 1->3 0 1 0 0 0 0 0 0 0 7 13 6 2 1 1 0 0 0 22 44 21 11 6 2 1 1 0 2 2 1 0 0 0 1 1 0 16 27 13 4 2 2 2 2 0 40 79 45 20 9 5 3 2 1 1 1 0 0 0 0 0 1 0 15 25 11 4 2 1 1 1 0 37 71 39 17 8 4 2 1 1 1 1 0 0 0 0 1 1 0 14 22 10 3 2 1 1 1 0 35 61 33 13 7 4 1 0 0 1 1 1 0 0 0 0 0 0 10 17 9 3 1 1 0 0 0 24 45 26 13 5 2 1 0 0 1 1 0 0 0 0 0 0 0 8 11 6 3 1 0 0 0 0 19 30 19 10 4 1 1 0 0 1 1 0 1 0 0 0 0 0 5 8 4 3 1 1 0 0 0 11 20 13 7 2 1 1 1 0 0 0 0 0 1 0 0 0 0 3 4 2 1 1 1 0 0 0 6 11 7 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 2 1 1 0 1 0 0 !Region 8: Section 4->6 29 63 42 35 17 10 4 2 0 22 48 48 48 27 20 11 5 1 7 15 22 24 17 16 12 7 1 44100 83 56 35 20 8 4 1 31 75 87 81 65 42 20 10 3 11 26 37 44 43 33 22 13 4 35 80 66 45 29 15 5 3 1 20 55 68 65 53 32 15 8 2 6 20 29 35 34 25 18 10 3 30 63 51 35 23 12 5 2 1 15 37 52 50 39 24 11 6 2 5 13 23 27 24 18 13 7 2 21 46 38 28 17 9 3 1 0 12 28 37 39 27 17 6 3 1 4 10 17 21 16 12 7 3 1 15 31 29 20 11 5 2 1 0 8 20 29 24 16 9 4 2 1 2 6 12 12 9 7 4 2 1 10 22 21 12 5 3 1 1 0 5 15 20 15 7 4 2 1 0 2 5 8 7 4 3 2 1 0 5 12 12 6 3 2 1 1 0 3 8 11 8 5 2 1 1 0 1 3 4 4 3 2 1 1 0 2 4 3 2 1 0 0 0 0 1 3 4 3 2 0 1 0 0 0 1 1 1 1 0 0 0 0 !Region 8: Section 7->9 0 1 3 3 4 6 5 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 6 8 10 11 7 2 0 1 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 2 2 5 7 9 9 6 2 0 1 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 3 4 5 6 7 4 1 0 0 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 3 4 3 2 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 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 0 0 0 0 1 1 0 0 1 0 0 -1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 205.99 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.061 Region 9 Sum = 136386; Maximum = 2158.66; FM = 0.62 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 4 7 6 3 1 0 0 0 3 14 20 19 10 4 1 0 0 0 1 1 1 0 0 0 0 0 3 9 15 14 8 2 1 0 0 10 30 44 43 23 8 2 1 0 0 1 1 1 1 0 0 0 0 4 13 21 24 14 4 1 0 0 12 38 61 66 40 13 3 1 0 0 1 1 1 1 0 0 0 0 4 14 25 33 22 7 2 0 0 14 43 70 84 59 23 6 1 0 0 1 1 1 1 0 0 0 0 3 11 23 34 28 11 3 0 0 11 37 66 85 69 32 10 2 0 0 1 1 1 1 0 0 0 0 2 8 16 24 28 15 4 1 0 9 27 49 68 68 36 12 3 0 0 0 0 1 0 0 0 0 0 1 4 8 12 17 14 4 1 0 5 14 27 40 45 31 11 3 0 0 0 0 0 0 0 0 0 0 1 2 3 4 6 7 2 0 0 3 7 11 16 18 15 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 3 4 4 3 1 0 0 !Region 9: Section 4->6 5 18 23 24 16 7 2 1 0 3 11 13 17 15 9 3 1 0 1 3 4 6 7 5 3 1 0 12 39 58 59 35 15 5 1 0 7 25 41 45 32 17 7 2 0 2 7 13 16 14 10 5 2 0 15 48 77 83 54 23 7 2 0 9 29 51 59 45 25 10 3 1 2 8 16 20 19 13 6 2 1 17 55 87 98 73 35 11 3 0 8 31 55 65 52 30 12 3 1 2 7 16 21 19 13 7 2 1 14 50 85100 82 46 17 4 0 7 27 52 65 55 34 14 4 1 1 5 13 20 18 12 6 2 1 11 37 66 88 80 44 18 6 1 4 18 37 55 51 30 14 4 1 0 2 7 14 15 10 5 2 0 6 18 38 59 56 32 14 5 1 2 8 20 36 34 20 9 3 1 0 1 3 7 8 7 3 1 0 3 8 16 29 25 15 7 3 0 1 3 9 17 16 10 5 2 0 0 1 1 3 4 3 2 1 0 1 3 4 8 6 4 2 1 0 0 1 2 5 4 2 1 1 0 0 0 0 1 1 1 0 0 0 !Region 9: Section 7->9 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 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 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 ................ 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 6.2031 0.8856 14.278 121.029 Orientation ('UB') matrix: 0.1439594 0.0357913 -0.0041629 0.0301957 -0.0024876 0.0773011 0.0659745 -0.0769597 -0.0044346 A B C Alpha Beta Gamma Vol 6.2448 11.7769 12.9833 90.000 96.626 90.000 948.47 0.0006 0.0009 0.0011 0.000 0.005 0.000 0.18 Corrected for goodness of fit: 0.0021 0.0033 0.0041 0.000 0.019 0.000 0.70 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.129 96.034 24.301 Goniometer zeros (deg): 0.0000* 0.0301 0.0000* -0.0797 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1526 -0.5120 0.0769 -0.6486 -0.1617 0.6904 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.79673e+04 8.36496e+03 3.79 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 188 Average input ESD (pix, pix, deg): 0.20069 0.16463 0.06154 Goodness of fit: 4.22579 3.65454 3.25962 Average missing volume: 0.051 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:22:57 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 = 92.30% 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 6 -0.14 -0.44 0.02 0.25 0.53 0.34 20095 38 0 0.25 24 0.78 0.78 2.27 1.000 3_0004 6 0.22 -0.45 -0.03 1.69 0.81 0.21 53564 56 17 0.63 28 0.78 0.78 2.27 1.000 4_0005 6 -0.04 -0.50 -0.05 0.17 0.63 0.15 30121 50 0 0.75 26 0.78 0.78 2.27 1.000 5_0006 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 22 0.78 0.78 2.27 1.000 6_0007 8 -0.04 -0.42 -0.15 0.23 0.50 0.18 48707 58 0 0.64 30 0.78 0.78 2.27 1.000 7_0008 8 -0.03 -0.33 0.14 0.23 0.36 0.31 27642 44 13 0.60 25 0.78 0.78 2.27 1.000 8_0009 14 -0.01 -0.40 0.03 0.14 0.52 0.13 54235 71 0 0.67 28 0.78 0.78 2.27 1.000 9_0010 6 -0.07 -0.39 0.10 0.19 0.43 0.14 30678 39 0 0.68 30 0.78 0.78 2.27 1.000 10_0011 12 -0.13 -0.41 0.11 0.26 0.47 0.20 20424 40 0 0.71 27 0.78 0.78 2.27 1.000 11_0012 15 -0.06 -0.37 0.04 0.25 0.43 0.14 8360.4 26 0 0.67 28 0.78 0.78 2.27 1.000 12_0013 6 0.08 -0.62 -0.04 0.65 0.80 0.12 16042 37 0 0.63 24 0.78 0.78 2.27 1.000 13_0014 14 0.14 -0.25 0.19 0.90 0.34 0.59 52619 63 7 0.69 26 0.78 0.78 2.27 1.000 14_0015 11 -0.10 -0.40 0.18 0.37 0.48 0.36 41078 49 0 0.65 24 0.78 0.78 2.27 1.000 15_0016 5 0.04 -0.45 -0.05 0.09 0.51 0.11 17431 34 0 0.68 28 0.78 0.78 2.27 1.000 16_0017 6 -0.09 -0.24 0.11 0.17 0.35 0.65 162886 131 0 0.81 32 0.78 0.78 2.27 1.000 17_0018 11 0.19 -0.37 0.02 0.42 0.63 0.13 82789 86 0 0.64 29 0.78 0.78 2.27 1.000 18_0019 5 0.12 -0.18 0.03 0.18 0.34 0.11 157460 119 0 0.68 30 0.78 0.78 2.27 1.000 19_0020 8 0.04 -0.24 -0.01 0.16 0.29 0.14 39789 68 0 0.58 29 0.78 0.78 2.27 1.000 Background pixels updated = 92.26% 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 -0.26 0.02 0.14 0.35 0.11 29316 49 0 0.60 36 0.78 0.78 2.27 1.000 21_0022 5 -0.01 -0.37 -0.03 0.06 0.55 0.15 32269 50 0 0.75 27 0.78 0.78 2.27 1.000 22_0023 11 0.03 -0.29 0.07 0.14 0.36 0.40 36812 53 0 0.72 24 0.78 0.78 2.27 1.000 23_0024 14 0.21 -0.18 0.04 0.49 0.32 0.22 85135 69 0 0.72 27 0.78 0.78 2.27 1.000 24_0025 12 0.04 -0.33 0.01 0.32 0.38 0.10 19429 31 8 0.59 27 0.78 0.78 2.27 1.000 25_0026 13 0.07 -0.29 -0.09 0.31 0.33 0.55 55773 62 0 0.63 26 0.78 0.78 2.27 1.000 26_0027 6 -0.01 -0.33 0.03 0.07 0.38 0.11 30990 41 0 0.67 26 0.78 0.78 2.27 1.000 27_0028 7 0.15 -0.29 -0.07 0.23 0.31 0.12 5946.5 18 0 0.66 29 0.78 0.78 2.27 1.000 28_0029 9 0.25 -0.37 -0.02 0.47 0.53 0.13 35002 42 0 0.72 26 0.78 0.78 2.27 1.000 I/Sigma = 49.08 Thresh = 0.020 Blend = F #Contributing = 54 InitialProfileWt = 0.053 Region 1 Sum = 12274; Maximum = 172.756; FM = 0.459 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 5 6 4 2 1 0 0 0 0 19 33 21 12 8 4 2 1 0 0 1 1 0 0 0 0 0 0 5 11 9 5 2 1 1 1 0 18 45 46 35 22 12 5 2 0 0 1 1 0 0 0 0 0 0 4 8 6 3 2 1 1 1 0 15 32 32 23 14 8 4 2 0 0 1 1 1 0 0 0 0 0 3 6 5 3 2 1 0 0 0 11 24 23 18 12 6 3 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 4 10 12 11 8 5 3 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 2 6 7 7 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 4 5 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 2 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 1 1 1 1 1 0 0 0 !Region 1: Section 4->6 22 60 44 35 35 29 16 6 1 10 41 40 43 56 63 39 15 3 1 9 15 21 35 50 37 15 4 25 75 94 94 74 47 24 10 2 13 50 78 98100 82 52 25 5 3 12 24 42 62 67 51 30 7 19 56 70 68 58 40 22 10 2 10 40 63 81 92 80 52 26 6 2 10 22 39 59 66 53 32 8 13 42 53 53 42 27 16 8 2 8 32 50 60 59 51 39 22 6 2 8 16 26 36 44 43 30 9 6 21 28 33 30 21 13 6 1 4 17 27 39 45 40 32 17 5 1 5 10 19 30 38 37 26 8 3 12 18 22 23 18 11 6 1 2 11 19 30 38 37 29 17 5 1 4 8 16 26 33 34 26 9 2 8 12 15 15 10 8 4 1 2 7 13 19 22 21 19 13 5 1 3 5 10 15 21 25 23 9 1 4 6 8 8 6 4 3 1 1 4 8 11 15 14 13 9 3 1 2 4 7 12 16 18 16 5 0 1 2 3 4 4 2 1 0 0 1 2 3 6 8 6 4 1 0 1 2 2 4 8 10 8 3 !Region 1: Section 7->9 0 1 2 4 8 14 14 8 2 0 0 0 0 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 2 4 8 16 24 23 17 4 0 1 1 1 1 3 4 4 1 0 0 0 0 0 0 0 0 0 0 2 3 7 15 23 25 19 6 0 1 1 1 2 4 6 5 2 0 0 0 0 0 0 0 0 0 0 1 2 5 11 18 23 22 7 0 0 1 1 2 4 6 7 2 0 0 0 0 0 0 1 1 0 0 1 2 4 10 17 20 20 7 0 0 1 1 2 3 5 7 2 0 0 0 0 1 0 1 1 0 0 1 2 4 8 15 20 21 8 0 0 1 1 2 3 6 8 3 0 0 0 0 0 0 1 1 0 0 1 1 2 6 11 17 21 8 0 0 0 0 1 3 5 8 3 0 0 0 0 0 0 1 1 0 0 1 1 2 5 9 13 15 6 0 1 0 1 1 3 4 6 3 0 0 0 0 0 0 1 1 0 0 0 1 1 1 4 7 7 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 275.71 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.061 Region 2 Sum = 364288; Maximum = 6617.3; FM = 0.938 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 5 3 1 0 1 3 10 20 23 16 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 5 3 1 0 0 3 11 25 28 17 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 6 3 0 0 1 3 12 29 38 26 9 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 5 2 0 0 0 3 12 25 33 27 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 2 7 14 18 16 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 4 9 10 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 2: Section 4->6 0 1 3 9 9 5 2 1 0 0 1 2 7 8 4 2 0 0 0 0 1 3 4 2 1 0 0 1 4 13 32 37 20 8 2 0 0 2 8 28 33 17 6 1 0 0 1 4 14 18 11 4 1 0 1 5 21 56 62 34 11 2 0 1 4 21 59 66 37 12 2 0 0 2 11 30 33 21 7 2 0 1 10 34 74 86 58 20 3 0 1 12 44 87 95 70 26 4 0 0 7 27 50 54 42 17 3 0 1 14 41 69 81 70 30 5 0 2 22 62 93100 88 42 7 0 1 14 42 61 63 54 25 5 0 1 12 31 52 58 52 25 4 0 2 19 51 85 92 78 35 7 1 2 14 35 59 65 54 24 6 1 1 7 18 38 37 23 9 2 0 2 10 29 64 70 47 16 4 0 2 9 21 46 58 42 16 4 0 1 4 9 18 16 7 2 1 0 1 6 13 32 34 16 5 1 0 2 6 9 22 28 17 6 2 0 0 1 3 4 3 1 0 0 0 0 2 4 7 6 4 2 1 0 1 2 3 5 7 6 4 1 0 !Region 2: Section 7->9 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 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 7 5 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 13 13 10 4 2 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 13 18 17 14 6 2 0 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 6 11 17 19 16 7 2 0 0 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 2 6 8 14 19 16 7 2 0 1 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 2 5 5 7 10 8 4 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 3 3 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 173.97 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.079 Region 3 Sum = 154561; Maximum = 2333.07; FM = 0.821 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 6 26 18 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 2 8 24 34 31 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 2 11 30 38 36 21 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 12 28 37 35 18 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 9 25 34 28 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 19 27 18 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 15 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 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 2 3 0 1 0 0 0 !Region 3: Section 4->6 1 2 8 14 63 44 19 5 0 0 2 6 11 39 30 15 5 1 0 1 2 3 6 8 5 3 1 1 4 20 59 85 76 43 14 3 1 3 14 43 67 61 36 13 3 0 1 4 12 23 22 14 6 2 1 5 27 76 97 91 54 16 2 0 4 21 60 83 77 47 16 3 0 2 7 21 37 33 21 8 2 1 5 31 76100 91 50 14 2 1 6 28 68 92 82 50 15 2 0 4 13 35 49 40 25 9 2 1 7 26 69 94 77 35 8 1 1 10 32 71 93 75 40 11 2 1 7 23 48 57 42 24 9 2 1 6 21 55 77 53 18 4 1 2 12 31 64 81 59 26 7 2 2 11 29 54 57 37 19 7 1 1 6 16 38 45 26 8 3 1 3 13 28 50 53 35 16 5 1 2 14 32 50 42 26 14 5 1 1 4 12 22 21 10 4 2 0 2 11 23 35 30 18 9 3 1 2 14 30 42 29 17 9 4 1 0 1 5 8 3 3 1 1 0 0 3 10 12 8 6 4 1 0 0 5 17 9 10 7 4 2 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 1 1 3 6 6 4 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 12 10 6 3 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 13 19 13 7 3 1 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 8 22 25 15 8 4 1 0 0 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 4 13 28 27 13 7 3 1 0 0 2 4 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 6 17 28 21 11 6 3 1 0 1 3 5 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 7 17 26 15 8 5 2 1 0 1 3 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 4 12 4 5 4 2 1 0 0 1 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 62.10 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 18966.8; Maximum = 331.051; FM = 0.455 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 6 9 10 8 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 8 15 15 13 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 4 9 10 9 6 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 5 7 7 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 1 3 4 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 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 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 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 1 12 23 30 24 15 8 3 1 1 8 22 37 37 38 29 12 2 0 2 8 23 32 44 42 17 3 2 17 36 43 43 29 16 7 1 2 14 33 57 80 81 60 32 5 1 5 14 40 78 99 85 49 8 1 9 23 30 30 23 14 7 2 1 8 22 42 63 75 58 35 6 0 4 10 31 67100 85 57 11 1 5 13 21 23 19 12 7 1 1 4 13 31 51 64 55 35 6 0 2 7 23 56 87 84 56 10 0 2 7 13 17 14 11 6 1 0 2 8 20 39 52 49 33 5 0 2 4 16 45 73 75 53 9 0 1 3 6 10 10 8 5 1 0 2 3 11 25 39 40 28 5 0 1 2 10 30 55 62 45 8 0 1 2 3 6 6 6 5 1 0 1 2 7 17 28 32 24 5 0 1 2 7 22 42 50 40 8 0 1 1 2 3 5 4 3 1 0 1 2 4 11 22 25 21 4 0 1 2 5 16 36 41 36 8 0 0 0 1 1 1 1 1 0 0 0 0 2 4 10 9 8 2 0 0 1 3 5 18 16 14 4 !Region 4: Section 7->9 0 1 1 6 11 16 18 8 2 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 11 26 36 35 24 4 0 1 1 1 1 1 2 4 1 0 0 0 0 0 0 0 0 0 0 1 2 9 23 38 36 27 5 0 0 0 1 1 1 3 3 1 0 0 0 0 0 0 0 0 0 0 1 2 7 19 34 35 26 5 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 1 5 16 29 32 25 5 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 1 4 11 22 26 22 4 0 0 0 1 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 1 3 9 17 21 19 4 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 7 15 18 17 4 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 7 7 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 29.60 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 3825.06; Maximum = 69.2957; FM = 0.385 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 3 2 2 1 0 0 1 0 1 7 9 7 5 2 1 2 0 0 0 0 0 1 1 0 0 0 0 3 4 2 0 1 1 1 0 1 9 16 11 6 6 4 3 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 1 1 0 0 1 8 10 8 5 5 4 1 0 0 0 -1 0 -1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 4 5 5 3 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 -1 0 0 0 0 1 4 3 3 2 2 2 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 1 -1 0 0 1 2 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 1 0 0 0 0 1 -1 1 2 3 0 0 0 -1 0 -1 0 0 0 0 0 0 0 0 -2 0 0 -1 -1 0 0 0 1 -1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 1 0 -1 0 0 0 0 !Region 5: Section 4->6 1 5 25 31 31 23 13 7 0 0 3 35 54 61 54 41 21 1 0 2 17 33 44 50 53 29 2 1 18 52 52 46 40 29 13 1 1 21 72 88 97100 79 40 3 0 9 34 52 74 95 90 59 5 1 20 37 40 35 34 29 13 1 2 25 52 65 74 83 76 41 3 1 12 23 36 54 76 80 57 5 1 9 16 26 28 28 24 12 1 1 11 23 43 55 66 63 36 3 0 6 12 24 38 56 63 46 4 0 4 9 16 21 22 18 13 1 0 5 11 26 40 48 45 33 3 0 3 6 15 25 37 45 39 4 0 2 5 9 9 13 11 8 1 0 2 5 14 18 26 28 24 2 0 1 3 8 12 20 28 28 3 0 1 2 4 6 10 9 8 1 0 2 3 7 11 18 18 18 2 0 2 2 4 7 13 15 18 2 0 0 2 2 2 5 5 3 0 0 0 3 4 5 9 10 7 0 0 0 3 3 3 5 9 7 1 0 0 1 1 1 1 1 0 0 0 1 2 2 2 2 2 1 0 0 1 1 1 1 2 2 1 0 !Region 5: Section 7->9 0 1 3 6 11 18 30 20 2 0 0 1 1 1 2 7 5 1 0 0 0 0 1 0 1 0 0 0 2 6 10 19 34 45 42 4 0 1 2 3 3 4 9 12 1 0 0 0 2 2 0 0 0 0 0 2 2 7 13 24 36 39 4 0 1 0 3 2 2 6 10 1 0 0 0 2 1 0 -1 0 0 0 2 2 5 9 17 28 28 3 0 0 1 2 2 2 5 7 1 0 -1 0 1 1 1 0 1 0 0 1 2 4 5 10 19 23 2 0 0 1 1 1 1 4 6 1 0 -1 1 1 0 0 0 0 0 0 0 1 2 2 8 11 14 2 0 0 1 0 0 4 2 2 0 0 0 1 -1 0 1 1 0 0 0 0 1 0 1 5 6 9 1 0 0 0 -1 0 3 1 3 0 0 0 -1 -1 0 1 0 1 0 0 1 1 1 0 0 4 3 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 -1 0 1 0 0 0 1 0 0 -1 0 1 0 0 0 1 0 0 0 1 0 0 0 I/Sigma = 22.32 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 2513.28; Maximum = 54.9935; FM = 0.403 !Region 6: Section 1->3 0 1 1 0 0 0 0 0 0 1 5 3 1 1 1 0 1 0 2 11 5 5 1 1 1 1 0 0 2 1 0 1 0 0 0 0 1 11 7 3 3 1 0 1 0 2 18 17 12 5 4 3 2 0 0 1 0 0 0 0 0 0 0 1 8 5 2 2 2 1 1 0 2 13 11 6 5 5 4 3 0 0 1 1 0 0 0 0 0 0 1 6 4 2 1 0 1 1 0 1 10 8 6 4 3 2 3 0 0 1 1 0 1 0 -1 0 0 0 3 3 1 1 -1 -1 0 0 1 5 5 2 2 1 1 2 0 0 0 0 0 0 0 -1 0 0 0 2 2 0 1 1 -1 1 0 0 3 3 1 1 2 1 1 0 0 0 0 0 0 0 -1 0 0 0 1 2 0 1 1 -1 0 0 0 2 3 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 -1 0 0 0 0 -1 0 0 0 -1 0 0 1 0 -1 0 0 !Region 6: Section 4->6 2 19 21 22 22 17 12 8 1 2 20 39 45 56 47 38 25 2 1 7 19 26 37 37 33 25 2 2 27 42 52 44 39 29 17 1 2 30 62 93100 94 74 44 4 1 12 28 49 63 68 60 40 4 1 18 27 32 37 35 28 16 1 1 19 39 61 81 79 68 39 3 0 7 17 33 51 54 52 33 3 1 12 19 22 28 26 20 13 1 1 12 25 40 59 60 52 30 2 0 5 10 22 35 41 43 24 2 1 5 9 13 17 18 14 8 1 1 5 12 24 37 41 36 20 2 0 3 5 13 21 29 33 19 2 0 3 6 6 8 11 8 4 0 0 3 8 12 20 26 20 12 1 0 1 3 7 13 20 20 14 2 0 3 4 3 4 5 5 1 0 0 4 5 7 9 12 10 5 0 0 2 2 5 6 9 9 8 1 0 1 1 2 3 2 2 1 0 0 2 2 5 6 5 6 4 0 0 1 1 2 3 3 7 7 1 0 0 0 1 2 1 0 1 0 0 1 0 2 3 3 2 2 0 0 1 0 1 1 1 2 3 0 !Region 6: Section 7->9 0 0 1 3 5 8 9 9 1 0 0 -1 1 0 0 1 2 0 0 0 0 0 0 0 1 1 0 0 0 1 5 9 14 18 14 1 0 0 0 0 1 0 2 2 0 0 0 1 0 0 0 1 1 0 0 0 1 4 8 11 14 11 1 0 0 1 1 1 3 2 2 0 0 -1 0 0 0 2 1 0 0 0 0 1 3 5 9 12 8 1 0 0 1 1 0 2 -1 1 0 0 0 0 1 0 1 -1 0 0 0 1 1 2 3 7 11 9 1 0 0 1 1 0 1 1 3 0 0 -1 0 1 0 0 -1 2 0 0 0 1 1 2 5 7 7 1 0 0 1 0 -1 0 0 1 0 0 -1 0 0 -1 0 0 0 0 0 0 -1 1 0 2 4 4 0 0 -1 -1 1 -1 -1 0 0 0 0 0 -1 1 -1 -1 0 0 0 0 1 -1 1 0 1 4 5 1 0 0 -1 1 -1 0 1 1 0 0 0 -1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.26 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 7 Sum = 3749.38; Maximum = 57.3641; FM = 0.455 !Region 7: Section 1->3 0 1 0 0 0 0 0 0 0 1 9 6 4 2 0 1 0 0 5 37 31 25 13 5 3 1 0 0 2 1 2 1 0 0 0 0 2 15 14 9 3 1 1 0 0 9 66 70 46 24 13 6 2 0 0 2 1 1 2 1 0 0 0 2 13 11 8 5 2 2 0 0 7 60 61 42 23 12 7 2 0 0 2 0 0 1 1 0 0 0 1 10 8 6 4 3 0 0 0 6 46 48 34 18 13 6 2 0 0 1 0 2 2 0 0 0 0 1 9 7 5 3 2 0 0 0 5 38 39 25 13 11 5 1 0 0 1 1 2 2 1 0 -1 0 1 7 7 6 3 2 1 0 0 3 27 28 21 10 8 4 3 0 0 0 1 0 1 0 2 -1 0 0 4 4 4 2 1 3 0 0 2 16 17 14 7 4 4 2 0 0 1 0 0 1 1 0 0 0 0 2 3 0 2 2 0 0 0 1 7 9 4 4 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 0 0 0 2 1 2 2 0 0 0 !Region 7: Section 4->6 7 50 47 41 26 13 7 1 0 3 22 25 30 28 22 16 5 0 0 3 5 15 22 24 23 10 0 11 86100 75 49 32 17 6 0 4 37 50 56 61 51 39 21 1 1 7 12 31 53 52 52 35 2 9 79 90 68 44 30 19 8 1 3 36 48 49 51 46 40 27 3 1 9 14 26 44 47 52 41 4 8 61 74 57 37 29 17 8 1 3 27 41 41 42 43 38 25 2 0 6 13 20 33 43 53 39 3 6 51 59 43 26 24 14 5 0 2 24 34 32 33 35 29 19 2 0 6 11 16 28 37 38 29 3 4 36 43 33 20 15 9 6 0 1 17 26 25 22 24 21 13 2 0 4 10 14 19 27 28 19 2 3 22 25 21 12 8 5 3 0 1 12 15 17 15 14 13 7 1 0 4 6 11 15 17 18 11 1 1 10 13 9 6 5 2 1 0 0 5 10 9 9 9 7 5 1 0 2 5 7 10 10 10 7 1 0 1 3 2 3 2 1 1 0 0 1 3 3 2 3 2 1 0 0 0 2 2 2 4 4 2 0 !Region 7: Section 7->9 0 0 1 5 8 10 11 6 0 0 0 0 -1 0 1 1 0 0 0 0 0 -1 0 0 0 0 0 0 3 4 11 19 21 25 18 1 0 1 1 1 1 2 2 2 0 0 0 0 0 1 2 1 1 0 0 3 4 9 17 19 24 20 2 1 2 1 1 1 1 2 1 0 0 1 1 0 1 1 1 0 0 0 2 5 7 12 17 25 20 2 0 1 2 1 1 1 1 2 0 0 1 1 0 1 1 1 1 0 0 2 5 5 10 15 17 14 1 0 2 3 1 1 1 0 1 0 0 1 2 1 1 1 0 1 0 0 2 4 5 8 12 13 9 1 0 3 2 1 1 1 1 2 0 0 1 1 1 1 1 0 1 0 0 2 2 3 6 8 8 6 1 0 2 0 0 0 1 1 2 0 0 1 1 0 1 0 0 1 0 0 0 1 2 4 4 4 3 0 0 1 2 0 0 1 1 1 0 0 1 0 1 0 1 1 1 0 0 0 1 1 0 2 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 I/Sigma = 51.02 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 8 Sum = 13174.1; Maximum = 164.679; FM = 0.499 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 1 0 0 5 23 20 14 7 3 1 1 0 0 0 1 0 0 0 0 0 0 3 9 7 3 2 1 1 0 0 14 54 48 31 15 6 3 1 0 0 0 1 0 0 0 0 0 0 3 11 7 4 2 1 1 1 0 17 66 54 33 15 6 3 2 0 0 0 0 0 0 0 0 0 0 4 11 7 3 1 1 0 1 0 21 71 54 31 14 6 2 2 0 0 0 0 0 0 0 0 0 0 5 11 7 3 2 1 0 0 0 24 73 54 30 14 5 2 1 0 0 0 0 0 0 0 0 0 0 4 9 5 3 1 0 1 0 0 22 64 49 26 12 4 2 1 0 0 0 0 0 0 0 0 0 0 3 6 3 3 1 0 1 0 0 19 52 39 23 11 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 0 0 0 0 10 35 29 16 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 10 11 5 4 1 0 0 0 !Region 8: Section 4->6 7 34 34 28 18 7 2 1 0 3 18 26 32 40 21 10 3 0 0 5 15 27 42 25 17 6 1 17 77 79 59 32 15 7 2 0 8 39 57 73 60 47 25 12 2 1 10 30 62 64 60 37 21 4 22 95 88 61 32 16 7 3 0 10 47 61 70 57 49 28 15 2 2 11 29 58 61 64 43 26 5 25 99 87 56 30 15 6 3 0 10 47 58 61 52 46 30 15 2 1 10 27 49 56 60 45 26 5 29100 83 52 27 13 6 3 0 11 43 49 53 43 42 27 15 2 1 8 20 41 44 56 40 25 4 26 88 74 44 23 10 5 3 0 10 37 39 40 37 31 22 10 2 1 5 13 29 37 42 31 17 3 25 74 60 38 21 9 5 2 0 10 31 31 31 30 26 15 7 1 1 5 9 21 29 33 21 12 2 15 52 44 26 17 7 3 1 0 6 22 22 22 21 16 9 4 1 1 4 7 15 21 21 13 6 1 3 15 17 9 7 3 1 0 0 1 7 9 7 9 5 3 1 0 0 1 3 5 9 5 3 2 0 !Region 8: Section 7->9 0 2 4 9 14 10 9 3 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 3 9 20 24 25 17 12 3 0 1 1 0 1 2 2 2 1 0 0 0 0 0 0 1 1 0 1 3 9 19 22 26 21 15 3 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 1 0 1 3 8 16 21 25 22 15 3 0 1 1 1 1 1 3 3 1 0 0 0 0 0 0 0 1 0 0 3 6 13 16 22 18 13 3 0 1 1 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 2 4 9 13 17 14 9 2 0 0 1 0 1 1 1 2 0 0 0 1 0 0 0 0 0 0 0 1 3 7 11 13 9 6 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 5 8 9 6 3 1 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 153.48 Thresh = 0.020 Blend = F #Contributing = 27 InitialProfileWt = 0.118 Region 9 Sum = 117247; Maximum = 1777.52; FM = 0.93 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 2 7 11 13 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 3 5 5 3 1 0 0 0 2 9 17 24 21 11 3 1 0 0 0 0 0 0 0 0 0 0 1 4 7 7 5 2 1 0 0 3 12 26 36 34 19 6 1 0 0 0 0 0 0 0 0 0 0 1 4 8 10 7 3 1 0 0 3 13 31 44 42 25 9 2 0 0 0 0 0 0 0 0 0 0 1 3 8 9 7 4 1 0 0 2 10 28 41 40 25 10 2 0 0 0 0 0 0 0 0 0 0 0 2 5 7 5 3 1 0 0 1 6 19 30 31 19 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 1 3 8 15 16 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 2 1 0 0 !Region 9: Section 4->6 1 2 4 8 9 6 2 1 0 0 1 4 11 15 12 4 1 0 0 1 3 8 12 10 4 1 0 3 9 18 30 31 18 7 2 0 2 7 20 43 52 36 16 5 1 1 3 13 32 42 32 16 6 1 3 12 27 48 51 31 12 3 0 2 10 32 64 75 53 25 8 1 1 6 24 50 59 47 26 10 2 4 17 40 69 76 49 19 5 1 3 15 43 83100 75 37 12 2 1 8 29 62 76 64 38 16 3 4 18 45 73 82 59 26 7 1 3 15 42 80 99 78 43 15 2 1 7 26 58 76 64 42 19 3 3 14 38 65 72 54 26 7 1 2 11 32 65 81 66 40 15 2 1 5 18 44 60 53 37 17 3 2 9 26 47 55 40 18 5 1 1 7 21 45 56 49 29 11 2 1 3 10 27 37 38 27 13 2 1 5 12 26 30 20 9 3 1 1 4 11 25 32 28 18 7 1 0 2 5 14 20 23 17 8 1 0 1 3 7 7 4 3 1 0 0 1 3 7 9 8 6 2 0 0 1 2 4 7 7 5 2 0 !Region 9: Section 7->9 0 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 12 10 6 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 7 15 18 17 11 6 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 8 18 25 24 17 8 2 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 2 7 18 25 25 20 11 2 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 1 4 12 20 21 17 10 2 0 0 0 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 0 1 2 7 11 14 12 7 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 8 7 4 1 0 0 0 0 0 1 1 1 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 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (201 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 201 0 201 6.2014 0.8816 14.282 121.963 Orientation ('UB') matrix: 0.1439986 0.0358632 -0.0040221 0.0299845 -0.0024675 0.0772249 0.0660953 -0.0770139 -0.0043473 A B C Alpha Beta Gamma Vol 6.2435 11.7660 12.9991 90.000 96.662 90.000 948.48 0.0005 0.0007 0.0009 0.000 0.005 0.000 0.15 Corrected for goodness of fit: 0.0018 0.0024 0.0031 0.000 0.017 0.000 0.52 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.059 95.992 24.339 Goniometer zeros (deg): 0.0000* 0.0463 0.0000* -0.0856 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1581 -0.7322 0.0761 -0.5416 -0.2020 0.7067 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.43270e+04 7.01172e+03 3.52 25 2 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 178 Average input ESD (pix, pix, deg): 0.16948 0.13567 0.05214 Goodness of fit: 4.04910 3.56886 2.54861 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:22:58 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 = 92.88% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.94 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.94 1.000 2_0003 7 -0.10 -0.22 0.01 0.18 0.28 0.39 36038 53 0 0.46 24 2.67 2.80 2.94 1.000 3_0004 6 0.49 -0.18 0.17 1.95 0.63 0.51 59717 61 17 0.73 27 2.90 3.23 2.57 1.000 4_0005 6 0.00 -0.28 -0.05 0.17 0.40 0.17 45718 62 0 0.71 26 3.11 3.29 2.18 1.000 5_0006 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 22 3.11 3.29 2.04 1.000 6_0007 6 -0.01 -0.27 -0.13 0.20 0.32 0.16 30647 45 0 0.67 29 2.95 3.17 2.04 1.000 7_0008 8 0.02 -0.15 -0.11 0.21 0.24 0.33 38220 49 0 0.57 27 2.95 3.10 2.01 1.000 8_0009 16 0.00 -0.18 0.10 0.13 0.28 0.32 61630 79 0 0.68 28 2.83 3.04 1.99 1.000 9_0010 6 -0.01 -0.22 0.12 0.13 0.26 0.20 33171 43 0 0.71 28 2.83 3.07 2.10 1.000 10_0011 12 -0.05 -0.21 0.10 0.14 0.26 0.23 24014 45 0 0.75 27 2.78 2.98 2.04 1.000 11_0012 15 -0.02 -0.17 0.04 0.14 0.20 0.10 9848.0 28 0 0.67 27 2.71 2.95 1.99 1.000 12_0013 5 0.22 -0.40 -0.02 0.48 0.59 0.13 24686 48 0 0.74 24 2.81 2.99 2.01 1.000 13_0014 15 0.10 -0.14 0.03 1.02 0.29 0.16 53836 63 0 0.67 27 2.87 3.06 2.00 1.000 14_0015 11 -0.00 -0.19 0.05 0.10 0.22 0.17 43948 53 0 0.63 24 2.88 3.07 2.06 1.000 15_0016 5 0.06 -0.27 -0.02 0.08 0.30 0.09 23187 40 0 0.67 28 2.87 3.06 2.05 1.000 16_0017 6 0.07 -0.18 -0.13 0.21 0.30 0.21 165511 135 0 0.85 33 2.85 3.05 2.05 1.000 17_0018 11 0.12 -0.17 0.02 0.19 0.34 0.10 86434 90 0 0.66 29 2.87 3.07 2.04 1.000 18_0019 5 0.11 -0.00 0.03 0.18 0.18 0.05 164589 121 0 0.70 31 2.87 3.11 2.10 1.000 19_0020 8 0.06 -0.14 0.02 0.14 0.20 0.13 41610 70 0 0.61 29 2.85 3.08 2.11 1.000 Background pixels updated = 92.75% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 7 -0.04 -0.14 -0.00 0.10 0.23 0.08 25421 43 0 0.65 36 2.84 3.08 2.12 1.000 21_0022 6 -0.01 -0.19 0.02 0.07 0.33 0.12 41413 61 0 0.74 27 2.83 3.07 2.13 1.000 22_0023 11 0.07 -0.21 -0.08 0.21 0.30 0.23 38597 56 0 0.72 24 2.84 3.06 2.14 1.000 23_0024 12 0.25 -0.05 -0.08 0.46 0.17 0.25 100611 80 0 0.79 26 2.82 3.07 2.13 1.000 24_0025 12 0.01 -0.29 0.12 0.32 0.37 0.32 20065 32 8 0.65 27 2.86 3.12 2.11 1.000 25_0026 16 -0.01 -0.24 0.04 0.57 0.34 0.19 50326 59 0 0.63 25 2.87 3.08 2.11 1.000 26_0027 6 -0.10 -0.25 0.05 0.19 0.28 0.10 33021 45 0 0.67 26 2.88 3.08 2.14 1.000 27_0028 7 0.14 -0.20 -0.11 0.20 0.23 0.12 7241.1 20 0 0.65 29 2.87 3.08 2.15 1.000 I/Sigma = 59.59 Thresh = 0.020 Blend = F #Contributing = 57 InitialProfileWt = 0.053 Region 1 Sum = 17735.4; Maximum = 229.294; FM = 0.612 !Region 1: Section 1->3 0 1 0 0 0 0 0 0 0 3 9 6 1 1 0 0 0 0 7 24 20 13 7 3 1 0 0 0 1 1 0 0 0 0 0 0 3 10 8 4 2 1 1 1 0 11 39 38 27 16 9 4 2 0 0 1 0 0 0 0 0 0 0 2 9 7 4 2 1 1 1 0 10 33 33 25 14 7 4 2 0 0 1 0 0 0 0 0 0 0 2 8 6 3 1 1 1 0 0 9 29 29 22 13 8 3 1 0 0 0 0 0 0 0 0 0 0 1 4 3 2 1 1 1 0 0 5 16 17 14 9 5 3 2 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 3 11 12 10 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 6 7 7 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 2 3 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 !Region 1: Section 4->6 8 31 37 42 30 17 6 3 1 4 20 29 47 47 35 17 9 2 1 5 8 18 26 28 18 8 2 20 71 86 83 62 41 21 8 2 14 53 80100 98 83 51 22 4 3 13 27 47 65 70 50 25 4 16 59 77 78 58 40 21 9 2 10 44 74 96 95 85 55 26 5 2 12 26 45 61 69 53 30 6 14 49 65 69 56 39 19 8 2 9 37 63 87 91 78 47 24 6 2 11 23 42 58 63 48 28 6 9 32 44 46 38 28 16 8 2 7 28 46 61 68 66 45 24 5 2 8 18 32 50 61 48 29 7 5 21 30 33 28 21 13 7 2 4 17 32 45 47 47 35 20 5 1 6 13 23 32 41 38 25 6 3 12 18 24 23 17 10 5 1 2 10 20 33 38 36 28 16 4 1 4 9 17 26 31 31 21 6 1 6 10 13 14 13 9 5 1 1 6 13 21 28 30 25 15 4 1 3 6 13 22 29 29 21 5 1 2 4 6 6 4 2 1 1 1 2 4 9 12 8 4 4 2 0 1 2 5 8 7 5 7 3 !Region 1: Section 7->9 0 1 1 2 4 8 7 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 8 15 21 18 11 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 2 3 7 14 20 19 13 3 0 1 1 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 1 3 7 13 20 19 14 4 0 0 1 1 1 2 4 4 1 0 0 0 0 0 0 0 0 0 0 1 3 6 14 21 22 16 4 0 0 1 1 1 3 5 5 2 0 0 0 0 0 0 0 1 0 0 1 2 4 9 15 18 16 4 0 0 1 1 2 3 5 6 2 0 0 0 0 0 0 0 1 0 0 1 2 3 7 12 15 15 5 0 0 1 1 2 3 4 6 2 0 0 0 0 0 0 0 1 0 0 1 1 3 7 12 16 15 5 0 0 0 1 1 3 5 6 2 0 0 0 0 0 0 1 1 0 0 0 0 1 2 3 4 7 3 0 0 0 0 0 1 2 4 1 0 0 0 0 0 0 0 0 0 I/Sigma = 271.41 Thresh = 0.020 Blend = F #Contributing = 44 InitialProfileWt = 0.069 Region 2 Sum = 381956; Maximum = 7614.64; FM = 0.94 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 1 4 10 11 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 2 7 18 22 13 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 0 0 0 2 7 20 27 21 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 0 0 0 3 8 18 26 24 11 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 5 11 16 15 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 6 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 2: Section 4->6 0 1 2 6 6 4 1 0 0 0 1 2 5 6 4 1 0 0 0 0 1 2 3 2 1 0 0 0 2 8 24 29 14 5 1 0 0 1 6 24 32 15 5 1 0 0 0 2 10 14 7 2 1 0 1 5 18 51 61 33 10 2 0 1 4 20 58 69 39 12 2 0 0 2 9 28 33 20 7 1 0 1 8 29 64 79 58 22 4 0 1 11 43 81 94 72 30 5 0 0 6 26 45 48 37 16 3 0 1 13 38 62 77 71 34 6 0 2 21 61 90100 89 46 9 1 1 12 39 56 58 49 26 6 1 1 11 29 50 58 51 26 5 0 2 17 49 84 94 78 36 8 1 1 12 32 56 64 51 22 6 1 1 6 17 35 37 23 9 2 0 2 10 28 61 70 45 15 3 0 2 9 18 41 52 35 13 3 0 1 4 9 19 17 7 2 1 0 1 6 13 31 34 16 5 1 0 2 6 9 19 25 16 6 2 0 0 2 2 4 3 1 0 0 0 0 2 4 7 6 3 1 0 0 0 1 3 5 4 3 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 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 6 4 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 11 10 7 3 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 4 11 16 14 11 5 2 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 10 17 18 14 6 2 0 0 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 2 7 7 12 16 12 5 2 0 1 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 5 5 7 8 7 4 2 0 1 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 183.78 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.090 Region 3 Sum = 175233; Maximum = 2755.47; FM = 0.865 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 4 10 10 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 2 8 18 26 22 12 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 3 11 23 32 31 16 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 3 12 26 35 30 15 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 2 11 26 33 25 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 22 26 17 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 13 17 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 !Region 3: Section 4->6 0 2 11 25 27 13 7 5 0 0 2 8 18 21 11 5 4 1 0 1 1 3 5 4 2 1 0 1 5 20 48 67 55 30 10 1 1 4 15 37 54 44 24 8 1 0 1 3 9 16 14 8 3 1 1 7 29 63 87 85 43 12 2 1 5 23 55 77 71 36 11 2 0 2 6 19 29 25 13 5 1 1 7 34 76100 86 43 11 1 1 7 31 72 94 79 40 12 1 1 3 13 33 44 34 17 6 1 1 8 33 77 98 74 33 8 1 1 10 36 81100 76 36 10 1 1 7 22 47 55 39 19 7 1 1 8 28 69 80 55 20 4 1 2 13 37 77 87 63 25 7 1 2 11 30 55 56 38 17 6 1 1 7 21 44 53 32 10 2 1 3 14 33 57 63 41 15 4 1 3 14 34 51 45 28 13 4 1 1 5 14 27 27 15 4 2 0 3 12 26 40 37 22 8 3 1 3 15 32 41 31 19 9 3 1 1 1 4 10 10 4 1 1 0 0 3 10 16 16 7 3 1 0 0 4 15 21 17 6 3 2 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 1 1 2 3 4 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 8 4 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 11 17 12 6 2 0 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 8 21 24 14 7 3 1 0 0 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 4 14 29 26 14 7 3 1 0 0 2 6 5 2 1 1 0 0 0 0 0 0 0 0 0 0 1 6 20 29 23 12 6 2 0 0 1 4 6 5 2 1 1 0 0 0 0 0 0 0 0 0 0 1 8 21 26 17 10 5 2 0 0 2 4 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 10 15 11 2 2 1 0 0 0 2 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 73.25 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 25314; Maximum = 334.991; FM = 0.628 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 12 14 17 9 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 4 21 28 24 20 7 3 1 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 0 0 0 0 2 14 21 19 16 7 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 9 15 14 12 6 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 5 9 10 9 5 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 3 5 7 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 4 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 !Region 4: Section 4->6 3 22 38 45 24 16 7 3 1 1 13 39 48 36 33 19 9 1 0 3 16 25 29 31 22 11 1 7 45 69 68 57 30 16 7 1 4 33 64 79 86 69 44 22 3 1 10 24 44 71 71 50 28 4 4 30 52 57 50 31 18 8 1 3 23 50 73 90 85 56 30 4 1 7 21 46 82 97 68 40 6 3 18 36 43 42 29 18 8 2 2 14 35 58 84 85 62 34 5 1 5 16 39 82100 80 49 6 1 10 22 30 32 24 17 8 2 1 8 23 43 70 78 63 37 6 1 3 11 32 74 98 84 54 7 1 5 14 21 24 19 14 7 1 1 4 15 32 55 65 56 35 5 0 2 7 24 60 85 79 52 7 0 3 7 13 17 15 13 7 1 0 2 8 21 41 53 50 32 5 0 2 5 17 46 70 68 47 7 0 1 3 7 11 11 10 6 1 0 2 4 13 28 41 40 27 3 0 1 3 12 33 56 55 41 4 0 1 1 2 4 4 4 2 0 0 1 2 5 10 17 14 10 1 0 1 1 5 12 25 20 16 2 !Region 4: Section 7->9 0 1 3 5 8 10 8 5 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 4 9 21 23 19 12 2 0 1 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 2 4 11 25 33 26 18 3 0 1 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 10 27 35 31 23 3 0 0 1 1 1 1 2 4 1 0 0 0 0 0 0 0 0 0 0 1 2 9 25 35 33 25 4 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 2 7 21 31 32 24 4 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 1 5 16 26 27 22 4 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 1 4 12 21 22 19 3 0 0 0 1 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 10 8 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 36.41 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 5453.07; Maximum = 81.1444; FM = 0.514 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 0 0 0 6 9 4 2 2 1 1 0 0 0 0 0 0 1 1 1 0 1 8 7 4 1 2 2 2 0 3 20 19 10 4 4 3 2 0 0 0 1 0 0 1 0 0 0 1 8 6 4 2 2 2 1 0 3 21 17 11 5 3 2 3 0 0 0 0 0 1 1 1 0 0 1 6 5 4 2 1 0 1 0 2 14 14 11 5 2 1 2 0 0 0 0 0 1 0 1 0 0 0 3 3 4 1 2 1 1 0 1 8 9 10 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 0 1 0 0 1 5 6 5 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 4 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 2 2 3 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 !Region 5: Section 4->6 0 4 17 19 17 13 8 4 0 0 3 27 44 49 50 33 22 1 0 3 17 32 46 58 38 29 2 2 20 43 45 31 21 17 9 1 1 19 73100 98 85 75 45 4 1 12 42 70 97100 92 57 5 2 25 36 39 29 21 17 10 0 2 27 57 83 89 82 77 43 3 1 14 34 58 85 95 94 55 6 2 17 25 30 26 19 15 8 0 2 17 36 58 72 75 68 37 3 1 9 22 41 65 83 84 48 5 1 10 18 23 20 17 15 8 0 1 11 25 42 54 62 64 35 3 1 6 14 28 45 68 75 45 4 1 5 11 14 17 15 15 8 1 1 6 16 26 41 49 55 35 3 1 4 10 17 32 50 61 41 5 0 2 5 9 12 13 12 6 0 0 3 6 15 29 39 44 27 3 0 2 4 11 23 36 46 32 4 0 1 2 4 7 9 8 3 0 0 1 2 6 17 25 28 17 2 0 1 1 5 13 21 30 23 3 0 1 0 1 2 3 2 0 0 0 0 0 2 6 7 9 6 1 0 0 0 2 4 6 11 9 1 !Region 5: Section 7->9 0 1 2 6 12 19 13 10 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 11 27 33 31 21 2 0 0 1 1 2 3 2 2 0 0 0 0 0 1 1 1 1 0 0 1 4 9 22 30 32 21 2 0 1 1 1 1 1 2 2 0 0 0 0 0 0 1 0 0 0 0 1 3 7 16 25 29 19 2 0 1 1 2 2 1 2 2 0 0 1 0 1 1 0 0 0 0 0 1 1 4 10 21 24 17 2 0 1 0 1 1 1 1 2 0 0 1 0 0 1 0 0 0 0 0 1 1 3 7 14 19 14 2 0 0 0 1 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 2 2 4 8 14 12 2 0 -1 1 1 0 0 1 2 0 0 -1 0 1 0 0 0 0 0 0 0 0 1 2 6 10 8 1 0 -1 0 0 0 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 4 3 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 1 0 0 0 I/Sigma = 31.06 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 6 Sum = 4619.94; Maximum = 82.0021; FM = 0.59 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 1 7 3 2 1 1 1 0 0 1 11 5 4 2 1 1 2 0 0 0 1 0 0 0 0 0 0 1 8 4 3 2 0 1 1 0 2 13 6 4 3 1 2 1 0 0 1 1 0 0 0 0 0 0 1 8 5 3 1 0 1 1 0 1 11 8 4 3 1 2 1 0 0 0 1 0 0 0 0 0 0 1 6 6 2 0 0 0 0 0 1 8 8 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 7 6 2 1 1 1 0 0 1 9 8 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 5 4 2 1 1 1 1 0 1 8 6 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 4 4 2 1 0 1 0 0 0 5 6 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 1 -1 0 0 0 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 !Region 6: Section 4->6 1 12 21 17 18 16 13 8 1 1 16 42 38 48 45 38 23 2 0 8 21 24 34 35 30 18 2 1 19 30 35 35 27 25 14 1 2 30 62 86100 84 74 43 3 1 14 33 54 73 68 58 33 3 1 15 25 31 32 26 21 13 1 1 23 52 75 92 79 64 39 3 1 11 28 47 68 64 50 30 2 1 11 20 28 29 24 18 12 1 1 17 41 68 82 72 54 36 3 0 9 23 42 58 57 43 28 2 1 9 15 20 24 22 18 12 1 1 12 27 49 65 63 54 33 3 1 6 16 31 46 48 42 25 2 1 6 10 13 19 18 17 11 1 1 8 18 30 51 52 48 31 3 1 4 10 19 35 39 36 23 2 0 4 6 9 12 14 12 7 1 1 4 9 20 33 39 35 21 2 0 3 5 12 23 29 28 16 2 0 2 3 5 7 9 7 4 0 0 2 3 10 18 25 21 13 1 0 1 2 6 12 18 17 10 1 0 1 1 2 2 3 3 1 0 0 0 1 4 6 9 9 5 0 0 0 1 3 4 7 8 4 0 !Region 6: Section 7->9 0 1 1 3 5 6 6 4 0 0 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 3 6 12 14 11 7 1 0 1 1 0 1 2 2 2 0 0 1 0 0 0 1 1 1 0 0 1 2 5 11 12 10 6 1 0 1 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 1 1 4 9 11 9 5 1 0 1 -1 0 1 1 1 1 0 0 0 -1 0 1 0 0 0 0 0 1 1 3 7 9 8 5 0 0 1 0 0 1 1 2 1 0 0 0 0 0 1 1 1 0 0 0 1 1 3 5 7 7 4 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 5 5 3 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 3 2 0 0 0 1 0 -1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.07 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 7 Sum = 4206.75; Maximum = 53.5006; FM = 0.542 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 2 2 1 1 1 0 0 3 26 22 21 15 10 3 0 0 0 0 0 -1 1 1 0 -1 0 1 5 3 1 1 2 1 -1 0 7 49 44 37 29 19 9 2 0 0 1 2 0 0 0 0 1 0 1 5 4 2 1 2 1 1 0 7 44 42 34 26 17 9 4 0 0 1 1 1 1 0 0 1 0 0 4 4 3 1 1 0 1 0 6 42 41 30 21 13 8 3 0 0 0 0 1 0 1 0 0 0 1 3 1 2 1 1 1 1 0 6 36 34 28 20 13 8 4 0 0 1 0 1 1 2 1 1 0 0 3 1 1 1 2 1 0 0 5 28 26 23 16 11 6 2 0 0 1 0 0 1 1 1 1 0 0 2 1 0 2 2 1 1 0 3 21 23 18 13 10 7 2 0 0 0 1 1 2 0 0 0 0 0 1 3 3 2 1 1 0 0 0 8 15 15 12 8 4 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 1 0 1 0 0 0 1 4 6 4 3 2 1 0 !Region 7: Section 4->6 5 52 47 46 38 29 11 1 0 3 30 32 34 36 29 14 2 0 0 4 7 10 17 18 14 3 0 12 96100 87 76 55 29 9 0 7 56 70 68 70 58 39 14 0 1 8 13 20 31 39 38 18 1 14 90 96 82 68 47 28 13 1 8 56 69 67 63 51 37 19 1 1 10 16 21 30 37 37 26 2 12 86 93 74 57 41 26 11 1 7 53 66 62 56 48 35 18 1 1 7 15 21 28 33 34 27 2 11 74 82 72 53 38 25 12 1 6 46 60 60 49 43 34 19 1 1 7 13 20 23 29 32 26 2 9 57 65 61 44 34 20 9 1 5 34 48 50 42 39 29 17 1 1 5 11 16 19 25 29 24 2 5 41 55 49 36 29 20 7 1 3 26 41 41 34 31 25 13 1 0 5 9 13 15 19 22 17 2 1 16 34 34 29 22 12 5 1 1 10 27 28 26 21 16 10 1 0 1 6 9 11 13 15 12 1 0 1 8 13 11 7 4 2 0 0 1 7 10 9 7 6 3 0 0 0 2 4 4 5 6 4 0 !Region 7: Section 7->9 0 1 2 3 5 9 9 3 0 0 0 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 2 2 7 11 18 23 15 1 0 1 1 2 2 3 5 4 0 0 0 0 1 0 1 1 1 0 0 3 4 5 11 18 23 20 2 0 1 1 1 1 3 5 5 0 0 0 1 0 -1 1 0 0 0 0 1 4 6 10 14 21 22 2 0 0 2 1 2 3 5 6 1 0 1 1 -1 0 1 1 1 0 0 1 3 7 9 14 20 19 2 0 1 2 2 3 3 5 4 0 0 1 1 0 1 1 1 0 0 0 1 3 6 7 10 17 17 2 0 1 2 2 2 2 3 3 0 0 0 1 0 1 1 1 1 0 0 1 3 4 6 9 13 11 1 0 0 3 2 2 2 3 3 0 0 0 2 2 1 1 0 1 0 0 0 1 4 4 7 9 7 1 0 1 2 3 1 2 2 2 0 0 0 1 2 1 0 0 1 0 0 0 1 1 1 3 4 2 0 0 0 1 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 I/Sigma = 58.00 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 8 Sum = 15838.4; Maximum = 196.706; FM = 0.566 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 9 10 9 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 0 0 1 0 5 28 28 23 14 5 2 1 0 0 0 1 0 0 0 0 0 0 0 3 3 1 0 0 1 0 0 8 37 39 31 16 6 3 1 0 0 0 1 1 0 0 0 0 0 1 4 3 2 1 1 1 1 0 10 49 45 33 17 6 3 2 0 0 0 1 0 0 0 0 0 0 1 4 4 2 0 1 0 0 0 15 57 51 33 16 6 2 1 0 0 0 0 0 0 0 0 0 0 1 4 3 2 1 1 0 0 0 15 59 49 33 14 6 2 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 0 0 1 0 16 53 45 31 14 5 2 1 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 0 11 38 32 24 12 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 12 13 9 4 3 1 0 0 !Region 8: Section 4->6 2 15 17 19 11 7 3 1 0 1 8 11 24 21 20 12 2 0 0 2 6 24 28 28 18 4 0 9 45 50 47 30 13 6 2 0 4 22 37 51 55 43 26 10 2 1 5 20 45 68 65 43 18 4 13 62 71 61 34 15 7 2 0 6 31 48 60 57 47 29 15 3 1 6 22 49 68 70 50 29 6 18 84 84 65 36 15 7 3 1 9 41 54 59 55 44 32 17 3 1 7 23 44 62 65 54 34 7 26 96 93 65 35 14 6 2 1 12 45 56 54 47 40 30 18 3 1 6 21 37 52 59 52 34 7 26100 89 63 30 13 6 2 1 12 46 48 46 41 33 26 15 3 1 5 12 27 44 48 44 28 6 29 92 84 59 29 11 5 3 0 13 42 44 38 34 27 20 11 2 1 5 9 18 33 38 33 21 4 21 70 61 47 24 10 5 2 0 10 32 33 30 25 21 14 7 1 1 3 8 14 24 28 22 13 2 6 22 26 18 8 6 2 1 0 3 10 14 13 11 9 5 2 1 0 1 3 6 12 10 8 4 1 !Region 8: Section 7->9 0 1 2 9 12 12 8 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 17 28 29 21 10 2 0 0 1 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 2 8 18 28 31 24 17 4 0 0 1 1 1 2 3 3 1 0 0 0 0 0 1 1 1 0 0 2 8 16 25 29 27 20 5 0 0 0 0 1 2 3 4 1 0 0 0 0 0 0 0 1 0 0 2 7 14 21 26 26 19 4 0 0 1 1 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 1 4 10 18 21 22 16 4 0 0 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 7 13 17 16 12 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 5 10 12 10 7 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 4 4 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 168.00 Thresh = 0.020 Blend = F #Contributing = 27 InitialProfileWt = 0.118 Region 9 Sum = 126786; Maximum = 1955.89; FM = 0.933 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 7 7 3 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 2 6 11 16 16 9 3 1 0 0 0 0 0 0 0 0 0 0 1 3 5 6 4 2 0 0 0 2 10 20 30 28 16 6 2 0 0 0 0 0 0 0 0 0 0 1 3 6 7 6 3 1 0 0 2 10 24 37 38 22 9 2 0 0 0 0 0 0 0 0 0 0 1 2 6 8 6 3 1 0 0 2 9 23 38 39 25 11 3 0 0 0 0 0 0 0 0 0 0 0 2 5 6 5 3 1 0 0 1 6 17 28 31 21 8 2 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 1 0 0 1 4 10 17 18 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 5 2 1 0 0 !Region 9: Section 4->6 0 2 3 5 5 3 1 1 0 0 1 3 7 9 8 4 1 0 0 1 2 5 7 7 4 1 0 1 4 10 20 25 15 6 2 0 1 4 14 34 47 34 16 5 1 0 2 10 27 40 32 17 6 1 2 9 20 38 46 29 12 3 1 2 8 25 55 74 55 28 9 2 1 4 19 44 60 50 30 11 2 3 12 31 57 67 45 20 5 1 2 11 35 71 93 74 40 14 3 1 7 26 55 74 66 42 18 4 3 15 40 67 81 57 28 7 1 3 13 39 74100 79 48 17 3 1 7 25 54 77 67 47 21 5 3 14 39 67 79 58 30 9 1 3 12 36 68 91 72 47 18 3 1 5 19 45 68 59 44 21 5 2 9 25 46 60 45 22 7 1 2 7 22 44 62 54 35 15 3 1 3 11 28 43 43 33 17 4 1 5 15 28 35 22 11 4 1 1 5 12 26 36 31 21 10 2 1 2 6 15 24 26 21 11 2 1 2 5 10 11 6 3 1 0 1 2 4 8 10 8 6 2 0 0 1 2 4 5 7 6 2 0 !Region 9: Section 7->9 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 1 3 8 12 10 6 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 14 19 18 13 6 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 8 17 25 25 19 9 2 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 2 7 17 27 27 22 12 3 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 1 5 13 24 24 21 12 3 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 1 2 8 14 17 15 10 3 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 10 9 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 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (201 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 201 0 201 6.2014 0.8745 14.282 123.672 Orientation ('UB') matrix: 0.1440022 0.0359126 -0.0039322 0.0298954 -0.0024541 0.0771553 0.0661270 -0.0770961 -0.0042877 A B C Alpha Beta Gamma Vol 6.2441 11.7529 13.0132 90.000 96.705 90.000 948.45 0.0005 0.0006 0.0008 0.000 0.005 0.000 0.14 Corrected for goodness of fit: 0.0015 0.0018 0.0026 0.000 0.015 0.000 0.44 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.033 95.970 24.350 Goniometer zeros (deg): 0.0000* 0.0584 0.0000* -0.0775 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1706 -0.9132 0.0747 -0.4184 -0.2384 0.7410 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.02989e+04 5.95828e+03 3.25 6 2 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 176 Average input ESD (pix, pix, deg): 0.15124 0.11681 0.05239 Goodness of fit: 3.83899 3.11807 2.43293 Orientation errors are still significant Performing another orientation refinement... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:00 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 = 93.21% 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 2.94 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 2.94 1.000 2_0003 8 -0.05 -0.07 0.07 0.13 0.11 0.39 51673 68 0 0.55 24 2.69 2.86 2.94 1.000 3_0004 6 0.81 0.03 0.11 2.33 0.47 0.55 59214 62 0 0.76 27 2.95 3.20 2.58 1.000 4_0005 6 0.04 -0.11 -0.05 0.20 0.20 0.15 47214 63 0 0.72 27 3.14 3.29 2.28 1.000 5_0006 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 22 3.14 3.29 2.09 1.000 6_0007 7 -0.04 -0.08 -0.09 0.17 0.17 0.11 57104 65 0 0.68 30 3.03 3.24 2.09 1.000 7_0008 7 0.08 -0.08 -0.17 0.17 0.11 0.32 29715 45 0 0.55 24 2.96 3.17 2.06 1.000 8_0009 15 0.02 -0.09 0.08 0.11 0.16 0.27 58897 78 0 0.71 28 2.85 3.09 2.04 1.000 9_0010 7 -0.00 -0.09 0.12 0.11 0.12 0.22 29185 40 0 0.73 27 2.80 3.07 2.12 1.000 10_0011 11 -0.02 -0.11 0.09 0.10 0.16 0.21 24714 43 0 0.78 27 2.80 3.02 2.07 1.000 11_0012 15 -0.03 -0.07 0.05 0.24 0.13 0.10 12240 34 0 0.67 27 2.72 2.98 1.99 1.000 12_0013 5 0.16 -0.26 -0.10 0.36 0.39 0.16 21541 40 0 0.72 25 2.82 3.02 2.02 1.000 13_0014 16 0.18 -0.03 -0.03 0.95 0.21 0.22 52225 63 0 0.67 28 2.86 3.05 2.01 1.000 14_0015 10 0.08 -0.06 0.06 0.22 0.11 0.22 48680 57 0 0.65 24 2.87 3.05 2.05 1.000 15_0016 6 0.08 -0.12 0.01 0.09 0.13 0.07 22359 40 0 0.61 29 2.85 3.03 2.05 1.000 16_0017 6 0.12 -0.13 -0.14 0.26 0.19 0.23 165361 136 0 0.86 33 2.85 3.03 2.04 1.000 17_0018 11 0.08 -0.08 0.01 0.12 0.17 0.08 87021 91 0 0.67 30 2.86 3.06 2.02 1.000 18_0019 5 0.08 -0.00 0.02 0.14 0.10 0.06 165345 122 0 0.71 30 2.87 3.09 2.10 1.000 19_0020 8 0.05 -0.11 0.01 0.14 0.15 0.11 42843 71 0 0.63 29 2.85 3.07 2.08 1.000 Background pixels updated = 93.01% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 7 -0.01 -0.10 0.00 0.14 0.16 0.07 25880 44 0 0.65 35 2.83 3.06 2.09 1.000 21_0022 6 -0.01 -0.10 0.03 0.08 0.22 0.10 41883 61 0 0.77 27 2.82 3.06 2.10 1.000 22_0023 11 0.05 -0.17 -0.11 0.21 0.25 0.22 39252 57 0 0.70 25 2.84 3.05 2.10 1.000 23_0024 12 0.22 -0.03 -0.04 0.46 0.14 0.19 101165 81 0 0.81 27 2.83 3.07 2.10 1.000 24_0025 12 -0.07 -0.23 0.12 0.34 0.30 0.30 20579 33 0 0.66 26 2.87 3.11 2.08 1.000 25_0026 16 0.03 -0.15 0.05 0.50 0.25 0.19 51144 61 0 0.63 25 2.89 3.08 2.07 1.000 26_0027 6 -0.12 -0.19 0.05 0.23 0.21 0.10 34303 46 0 0.66 26 2.89 3.08 2.10 1.000 27_0028 8 0.10 -0.12 -0.06 0.14 0.16 0.10 11077 27 0 0.66 27 2.88 3.07 2.10 1.000 I/Sigma = 60.68 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.046 Region 1 Sum = 18546.8; Maximum = 238.63; FM = 0.702 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 4 12 13 9 6 3 1 1 0 0 1 0 0 0 0 0 0 0 4 9 7 3 1 1 1 1 0 12 33 32 22 12 6 3 1 0 0 1 1 0 0 0 0 0 0 3 8 7 3 1 1 1 1 0 12 34 34 25 15 8 3 2 0 0 0 0 0 0 0 0 0 0 3 7 5 3 1 1 1 1 0 10 28 26 21 13 7 3 2 0 0 0 0 0 0 0 0 0 0 2 6 5 3 1 1 0 0 0 8 25 26 20 11 6 3 1 0 0 0 0 0 0 0 0 0 0 1 4 3 2 1 1 1 0 0 5 15 15 13 8 5 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 3 8 9 9 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 5 6 6 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 !Region 1: Section 4->6 5 21 30 30 25 16 6 2 0 3 15 27 35 36 28 16 7 1 1 4 8 15 22 21 16 9 1 17 57 67 64 49 31 16 7 1 11 40 59 72 72 58 36 17 3 2 10 19 32 43 45 33 19 4 18 64 82 81 61 39 20 8 2 12 48 79100 93 76 49 23 4 3 12 27 46 58 61 49 27 5 16 52 64 70 56 36 19 8 2 11 40 64 87 87 73 46 23 4 3 11 24 41 55 60 47 27 6 13 46 61 62 47 35 19 8 2 9 35 60 77 77 71 47 23 5 2 10 22 38 52 60 47 28 7 8 30 41 44 37 25 14 7 2 6 25 42 57 61 56 40 22 5 2 7 16 28 41 51 45 29 7 4 16 25 30 26 19 11 6 1 3 14 27 41 43 40 30 18 4 1 5 11 21 30 37 35 24 6 3 10 15 20 21 16 10 5 1 2 9 17 28 35 33 26 15 3 1 3 8 15 24 28 28 20 5 1 2 4 6 6 5 3 2 1 0 3 6 10 12 13 8 8 2 0 1 3 6 10 13 12 13 4 !Region 1: Section 7->9 0 1 1 2 5 7 7 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 13 12 9 2 0 1 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 7 13 19 19 13 3 0 1 1 1 1 2 2 3 1 0 0 0 0 0 0 0 0 0 0 1 3 7 14 20 20 14 4 0 1 1 1 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 1 3 7 14 20 20 15 5 0 0 1 1 2 3 4 4 2 0 0 0 0 0 0 0 0 0 0 1 2 5 11 18 21 18 5 0 0 1 1 1 3 4 5 2 0 0 0 0 0 0 0 1 0 0 1 2 4 9 15 19 16 5 0 0 1 1 2 3 5 6 2 0 0 0 0 0 0 0 1 0 0 1 2 3 7 11 15 14 5 0 0 1 1 1 3 4 5 2 0 0 0 0 0 0 0 1 0 0 0 1 2 3 7 8 11 4 0 0 0 0 1 2 3 4 2 0 0 0 0 0 0 0 0 0 I/Sigma = 273.97 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.069 Region 2 Sum = 389182; Maximum = 8103.76; FM = 0.939 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 1 4 10 11 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 0 1 5 17 21 12 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 0 0 0 2 7 20 28 22 9 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 0 0 0 2 7 15 24 24 12 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 9 15 14 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 6 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 !Region 2: Section 4->6 0 0 1 4 5 3 1 0 0 0 0 1 5 6 4 1 0 0 0 0 0 2 3 2 1 0 0 0 2 8 25 30 13 5 1 0 0 1 7 27 34 16 5 1 0 0 0 3 11 15 8 3 1 0 0 3 15 47 59 31 11 2 0 0 3 20 57 71 41 14 3 0 0 2 10 27 33 20 7 1 0 1 7 29 60 77 57 24 4 0 1 11 46 80 93 72 32 6 0 0 6 27 43 46 36 16 3 0 1 11 35 57 72 67 35 6 0 1 20 61 89100 86 47 9 1 1 11 37 55 57 47 24 5 1 1 8 25 45 55 47 24 4 0 1 15 47 81 94 73 33 7 0 1 9 29 52 60 46 19 5 0 1 5 15 32 37 21 8 2 0 1 8 27 58 69 41 14 3 0 1 7 17 37 48 31 11 3 0 0 3 7 16 16 7 2 0 0 1 5 12 29 32 14 5 1 0 1 5 9 18 22 14 5 2 0 0 1 2 3 3 1 0 0 0 0 2 4 6 6 2 1 0 0 0 1 3 5 5 3 1 1 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 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 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 11 10 7 3 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 11 16 14 11 5 2 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 15 16 13 5 2 0 0 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 6 8 11 14 11 5 2 0 1 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 5 5 6 8 7 3 2 0 1 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 183.08 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 3 Sum = 173888; Maximum = 2790.25; FM = 0.883 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 2 4 5 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 2 6 13 19 17 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 8 17 25 21 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 9 21 25 23 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 9 20 24 20 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 16 21 15 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 15 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 !Region 3: Section 4->6 0 2 6 12 11 10 11 3 0 0 2 5 10 9 8 10 3 0 0 1 2 3 3 4 3 1 0 1 4 16 38 59 50 24 8 1 1 4 13 34 54 45 22 8 1 0 1 4 10 18 15 8 3 1 1 5 23 54 79 67 36 11 2 1 5 21 54 81 65 35 11 2 0 2 7 22 34 25 14 5 1 1 6 31 72 85 78 41 11 1 1 7 32 77 95 82 43 13 2 1 3 14 36 50 38 19 7 1 1 6 30 70 85 72 35 9 1 1 9 37 82100 82 41 11 1 1 7 24 50 60 45 23 7 1 1 6 26 59 76 56 21 4 1 2 12 38 76 94 69 29 7 1 2 11 31 57 63 42 20 6 1 1 6 18 44 56 35 11 2 1 2 13 31 62 74 48 18 4 1 2 14 34 56 56 34 14 5 1 1 4 13 27 30 17 4 2 0 2 11 25 42 44 27 9 3 1 3 15 32 45 38 23 10 3 1 0 1 5 11 10 2 1 1 0 0 3 10 16 14 6 3 1 0 0 5 16 21 9 6 4 1 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 1 1 2 3 3 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 7 4 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 11 18 12 6 2 0 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 9 21 26 17 8 3 1 0 0 1 4 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 5 14 30 30 17 8 3 1 0 1 2 6 6 3 2 1 0 0 0 0 0 0 0 0 0 0 1 7 20 34 29 15 7 3 1 0 1 4 8 7 3 2 1 0 0 0 0 0 0 0 0 0 0 1 8 22 31 23 11 6 2 0 0 2 5 8 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 3 14 20 3 3 3 1 0 0 1 4 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 77.38 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 27548.1; Maximum = 340.24; FM = 0.704 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 3 15 11 14 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 1 1 1 0 7 29 32 27 19 7 3 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 6 24 27 23 18 7 3 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 4 16 21 19 15 7 3 1 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 0 0 0 2 11 15 14 12 6 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 6 9 10 9 5 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 6 7 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 2 3 4 4 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 1 2 1 1 0 0 !Region 4: Section 4->6 5 33 30 37 21 12 4 1 0 3 23 27 36 26 20 10 4 1 1 5 9 15 16 16 10 5 1 13 61 75 71 54 27 12 5 1 9 44 64 73 69 51 28 13 1 2 12 23 35 49 46 30 16 2 11 49 67 67 56 31 16 6 1 7 37 62 78 85 69 42 20 2 2 11 24 42 70 71 48 26 2 7 33 52 58 51 31 18 8 1 4 26 50 74 90 82 54 27 2 1 8 21 45 81 92 66 37 3 4 21 36 44 43 30 19 8 1 3 16 36 60 87 87 64 33 3 1 6 16 40 84100 81 47 4 2 11 23 32 34 26 19 9 1 2 9 23 45 74 81 65 35 3 1 4 11 32 75 98 84 51 4 1 6 14 23 26 21 15 7 1 1 5 16 34 59 68 58 33 3 0 3 8 25 63 86 80 50 4 1 3 8 14 18 16 14 7 1 0 3 9 23 44 55 50 30 3 0 2 5 17 48 70 68 45 4 0 1 2 5 8 8 5 3 0 0 1 3 9 19 29 20 13 1 0 1 2 8 20 40 26 21 2 !Region 4: Section 7->9 0 0 1 2 4 5 4 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 13 14 11 7 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 9 20 23 18 11 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 10 25 31 25 16 2 0 1 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 1 3 10 27 34 31 21 2 0 0 1 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 2 8 24 34 33 23 2 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 2 7 21 31 32 22 3 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 1 1 5 16 26 26 20 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 15 10 10 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 40.68 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 6575.43; Maximum = 84.5136; FM = 0.631 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 4 2 1 1 0 0 0 0 6 11 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 7 7 3 1 0 0 0 0 2 19 21 10 3 2 1 0 0 0 0 1 1 1 0 0 0 0 1 8 7 4 1 1 1 1 0 2 23 23 12 4 4 3 1 0 0 0 0 0 0 0 1 0 0 1 9 7 4 2 1 2 1 0 3 23 21 13 5 4 3 2 0 0 1 1 1 0 1 0 1 0 1 7 6 4 2 1 2 1 0 2 18 17 12 7 3 2 2 0 0 0 0 0 1 1 1 1 0 1 4 4 4 2 1 1 1 0 1 11 12 12 6 3 1 1 0 0 0 0 0 0 0 1 0 0 0 2 2 3 1 1 1 1 0 1 6 8 9 4 3 3 1 0 0 1 0 0 0 0 0 0 0 0 2 2 2 2 0 1 1 0 0 3 5 6 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 2 1 0 0 0 !Region 5: Section 4->6 0 5 17 18 11 9 6 3 0 0 2 24 36 30 33 25 14 1 0 2 14 24 29 36 29 17 1 1 22 47 38 25 20 13 7 0 1 22 73 79 77 77 58 35 2 0 12 42 53 74 90 71 43 3 2 30 48 44 33 22 16 8 0 2 32 72 89 95 85 70 42 3 1 17 40 60 90100 87 56 5 2 28 39 43 32 20 17 10 1 1 27 54 85 90 81 76 48 3 1 14 31 57 84 97 95 64 5 2 20 28 32 29 20 16 10 1 1 18 36 61 77 75 71 46 3 1 10 21 42 70 86 90 61 5 1 12 19 25 23 17 14 9 0 1 10 24 43 57 63 65 40 3 0 6 14 29 49 70 82 52 4 1 7 14 18 18 15 14 8 0 0 6 17 28 42 51 59 38 2 0 4 10 18 34 55 71 48 3 0 3 7 10 15 13 12 4 0 0 3 9 17 32 41 47 22 2 0 2 6 11 24 40 53 32 3 0 1 2 3 5 7 4 0 0 0 1 1 5 11 18 17 3 0 0 1 1 4 9 16 21 5 0 !Region 5: Section 7->9 0 0 1 3 8 10 9 6 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 19 29 23 16 1 0 0 0 0 0 1 1 2 0 0 0 0 0 0 1 0 1 0 0 2 3 8 23 33 29 21 2 0 1 1 1 1 3 1 2 0 0 0 1 0 0 1 0 1 0 0 1 3 8 21 32 32 25 2 0 1 1 1 1 2 1 3 0 0 0 0 0 0 1 0 1 0 0 1 3 7 16 26 31 23 2 0 1 1 2 1 1 1 2 0 0 0 1 1 1 1 0 1 0 0 1 2 5 11 22 28 20 2 0 1 1 1 2 2 1 2 0 0 1 0 1 1 1 0 0 0 0 1 1 3 7 16 23 17 1 0 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 1 2 5 11 16 12 1 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 4 7 2 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 I/Sigma = 34.70 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 6 Sum = 5698.18; Maximum = 78.5515; FM = 0.659 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 1 6 5 2 1 1 0 0 0 1 12 10 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 1 8 7 4 2 0 0 0 0 2 16 13 6 3 1 0 1 0 0 0 0 0 0 0 0 0 0 1 9 6 3 2 1 1 1 0 2 18 12 5 4 2 1 2 0 0 0 0 0 0 0 0 0 0 1 9 6 2 2 0 1 1 0 2 16 9 4 3 1 1 1 0 0 1 1 0 0 0 0 0 0 1 7 6 3 1 1 0 0 0 2 12 11 5 3 1 1 0 0 0 0 1 0 0 0 0 0 0 1 6 6 3 1 1 0 0 0 1 10 9 5 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 7 6 3 1 2 1 0 0 1 10 10 5 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 5 5 2 1 1 1 1 0 1 7 8 4 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 1 0 0 0 0 3 4 2 1 1 1 1 0 !Region 6: Section 4->6 1 8 14 12 10 11 6 6 1 0 8 25 28 32 39 26 19 2 0 5 14 18 26 34 25 17 1 1 17 29 30 28 22 19 13 1 1 23 56 74 87 82 70 45 4 1 12 32 50 71 76 66 40 3 1 18 30 32 33 24 20 15 1 1 22 60 80100 87 77 51 4 1 12 35 55 81 81 74 45 3 1 15 25 28 30 23 20 15 1 1 20 50 73 96 88 76 51 4 1 11 30 50 78 83 73 44 3 1 11 20 25 27 22 17 13 1 1 14 37 64 85 83 64 46 4 0 8 23 44 69 78 62 40 3 1 9 15 21 24 20 15 11 1 0 10 29 54 74 74 57 39 4 0 6 19 37 58 68 56 35 3 0 7 11 15 18 18 15 11 1 0 7 19 36 55 62 57 39 3 0 4 12 26 44 55 52 33 2 0 5 8 11 13 15 13 10 1 0 6 12 24 40 51 48 34 2 0 4 8 17 32 44 44 30 2 0 2 3 5 6 6 6 4 0 0 2 3 10 19 22 25 17 1 0 1 2 7 16 21 25 16 1 !Region 6: Section 7->9 0 0 1 2 5 7 6 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 13 17 16 8 0 0 0 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 1 2 7 14 19 19 10 0 0 0 2 0 0 1 2 1 0 0 0 1 0 0 0 1 1 0 0 1 2 6 15 20 19 9 0 0 1 1 0 1 2 2 1 0 0 0 1 0 0 1 1 1 0 0 1 2 5 13 18 15 8 0 0 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 4 10 16 14 9 0 0 1 0 0 0 1 1 1 0 0 1 0 0 0 1 1 0 0 0 1 1 3 8 12 13 7 0 0 1 0 0 0 1 2 1 0 0 1 0 0 0 0 1 0 0 0 0 1 3 6 9 10 6 0 0 0 0 1 1 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 3 5 6 4 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.02 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 7 Sum = 4865.78; Maximum = 55.8751; FM = 0.599 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 14 15 12 11 8 4 1 0 0 0 0 0 0 0 0 0 0 0 3 2 2 1 0 0 0 0 3 35 36 28 23 15 8 3 0 0 0 0 0 0 1 1 0 0 0 4 3 1 1 1 2 0 0 4 39 38 28 24 15 9 3 0 0 2 2 -1 0 0 0 0 0 0 4 4 0 1 2 1 0 0 5 38 34 25 21 15 8 3 0 0 1 1 1 1 0 0 0 0 0 4 3 2 2 1 1 1 0 4 33 32 24 17 11 7 3 0 0 1 0 0 1 0 0 0 0 0 3 1 1 2 1 0 0 0 3 29 26 21 16 10 6 3 0 0 1 0 1 1 1 1 0 0 0 3 1 1 1 1 2 1 0 2 22 20 17 13 9 5 2 0 0 0 0 -1 0 1 1 1 0 0 1 1 -1 0 2 1 1 0 1 12 16 13 10 8 6 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 2 5 5 5 4 3 1 0 !Region 7: Section 4->6 2 31 40 36 33 24 12 3 0 1 19 31 33 32 25 17 4 0 0 2 7 11 14 16 19 6 0 6 79 95 78 70 53 32 11 0 3 52 73 70 70 63 48 17 1 0 8 17 23 31 41 45 23 2 8 89100 81 74 55 34 14 1 4 59 80 73 75 66 48 25 2 0 11 20 23 33 41 42 30 3 9 89 93 76 66 51 30 13 1 5 62 79 72 69 60 43 24 1 1 12 22 27 33 38 38 28 3 7 79 87 73 56 41 28 11 0 4 57 74 71 61 53 41 20 1 1 12 21 27 31 35 35 27 3 6 68 75 68 52 37 26 12 1 3 49 65 67 56 47 40 21 2 0 10 18 25 27 30 34 26 3 5 53 60 57 45 33 22 10 0 3 40 52 57 48 41 34 18 1 0 9 15 21 22 26 30 23 2 2 29 48 47 38 26 22 9 0 1 21 41 48 41 32 30 15 1 0 4 11 17 19 20 23 17 2 0 4 15 17 17 12 10 4 0 0 2 13 17 18 13 13 7 0 0 0 4 6 8 8 9 7 1 !Region 7: Section 7->9 0 0 1 2 5 7 13 5 0 0 1 1 1 2 1 2 2 0 0 1 1 0 0 0 0 0 0 0 2 3 5 9 17 28 20 2 0 2 1 2 2 2 6 6 0 0 1 1 1 1 0 0 1 0 0 3 3 5 10 18 25 22 2 0 1 1 2 3 3 5 7 1 0 1 0 1 0 0 1 1 0 0 3 5 7 10 18 23 22 2 0 1 2 2 2 4 5 6 1 0 0 0 0 0 1 0 1 0 0 3 4 6 9 15 19 23 2 0 1 2 1 2 3 4 7 1 0 1 1 0 0 0 0 1 0 0 0 3 7 10 13 18 21 2 0 0 1 3 3 3 4 6 1 0 1 1 1 1 1 1 0 0 0 0 2 6 8 10 16 18 2 0 0 1 3 2 3 4 5 0 0 0 1 1 0 1 0 0 0 0 1 2 4 6 8 13 12 1 0 0 2 3 2 3 3 3 0 0 0 1 1 0 1 1 0 0 0 0 1 2 2 4 5 5 0 0 0 1 2 1 1 2 2 0 0 0 0 1 0 0 0 0 0 I/Sigma = 59.53 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 8 Sum = 16525.5; Maximum = 215.473; FM = 0.59 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 0 2 6 6 5 5 3 1 0 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 1 0 0 5 18 22 17 14 6 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 0 0 1 0 7 28 32 25 17 6 3 2 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 1 0 10 37 42 28 19 7 3 2 0 0 0 0 1 0 0 0 0 0 2 4 3 2 1 0 1 1 0 13 46 47 30 18 7 2 1 0 0 0 1 0 0 0 0 0 0 2 4 4 2 1 1 0 0 0 15 48 49 29 17 6 2 1 0 0 0 0 0 0 0 0 0 0 2 3 2 1 0 0 0 1 0 13 43 43 28 16 6 2 2 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 8 27 33 20 13 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 12 6 5 2 1 1 0 !Region 8: Section 4->6 3 11 14 12 12 8 3 1 0 1 5 11 15 19 22 14 3 1 0 1 5 15 22 32 22 5 2 7 32 43 39 33 15 6 3 0 3 17 28 41 48 40 27 12 2 0 3 11 36 56 63 47 21 3 11 51 64 55 40 17 7 3 0 5 26 40 52 56 43 30 16 3 0 5 14 39 61 65 54 32 6 16 70 85 63 46 18 8 4 0 7 36 51 56 54 42 31 18 3 1 6 15 39 54 61 56 37 7 21 88 96 68 42 18 7 3 0 10 44 56 55 48 37 28 18 3 1 6 14 33 45 54 52 37 8 23 89100 63 40 16 6 3 0 10 44 54 45 42 31 25 15 3 1 5 10 22 38 44 45 31 6 22 83 89 63 38 14 5 3 1 10 42 47 41 34 27 18 12 2 1 5 7 16 27 37 32 24 5 14 54 70 47 31 13 5 2 0 7 28 37 32 28 20 14 8 2 1 4 7 12 20 26 23 15 4 2 13 25 15 13 5 3 1 0 1 7 13 11 11 8 5 3 1 0 1 3 6 9 9 8 5 2 !Region 8: Section 7->9 0 0 2 6 9 14 11 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 14 24 30 24 12 2 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 2 5 15 26 32 28 19 5 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 0 0 0 2 5 15 23 29 30 23 5 0 0 0 1 1 2 3 4 2 0 0 0 0 0 0 0 0 0 0 2 5 13 19 26 28 22 6 0 1 1 1 1 1 3 4 2 0 0 0 0 0 0 0 1 0 0 1 3 8 16 21 25 18 5 0 0 1 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 1 2 6 11 17 18 15 4 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 9 12 12 9 3 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 155.55 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 9 Sum = 119227; Maximum = 1905.18; FM = 0.94 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 4 7 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 1 0 0 0 1 5 10 16 16 8 3 1 0 0 0 0 0 0 0 0 0 0 1 2 5 5 4 2 0 0 0 2 8 18 29 28 16 5 1 0 0 0 0 0 0 0 0 0 0 0 2 5 7 6 3 1 0 0 2 9 23 38 38 24 9 2 0 0 0 0 0 0 0 0 0 0 0 2 5 7 6 3 1 0 0 1 7 21 36 39 26 11 3 0 0 0 0 0 0 0 0 0 0 0 1 4 6 5 3 1 0 0 1 5 14 27 30 20 8 2 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 1 3 9 17 17 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 4 3 1 0 0 !Region 9: Section 4->6 0 1 2 4 4 2 1 0 0 0 1 2 6 8 6 3 1 0 0 0 2 4 6 6 3 1 0 1 4 9 20 23 14 6 2 0 1 3 13 33 44 32 15 5 1 0 2 9 26 37 30 16 6 1 1 7 18 37 43 28 11 3 1 1 7 25 56 70 55 27 9 2 1 4 20 44 58 51 29 11 3 2 10 30 58 66 45 19 5 1 2 10 35 71 90 72 38 14 3 1 7 25 53 69 63 39 17 4 3 14 40 73 82 61 29 8 1 2 13 42 82100 83 48 17 3 1 7 25 55 74 67 45 20 5 2 11 35 63 76 61 29 9 1 2 10 34 67 87 76 45 18 3 1 5 19 44 64 59 41 20 5 1 8 23 46 57 44 21 7 1 1 7 21 45 60 54 33 14 3 1 3 11 28 40 41 30 16 4 1 5 14 28 33 22 10 4 1 1 5 12 26 34 31 20 9 2 1 2 6 14 22 25 20 10 3 0 1 4 8 9 6 3 1 0 0 1 3 6 9 9 5 2 0 0 1 1 3 5 7 5 2 1 !Region 9: Section 7->9 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 1 3 7 11 10 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 13 18 18 12 5 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 16 23 23 17 8 2 0 0 0 1 2 2 3 2 1 0 0 0 0 0 0 0 0 0 0 2 7 17 25 26 20 11 3 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 1 5 13 21 22 19 11 3 0 0 0 1 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 1 2 7 13 15 13 8 3 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 7 9 9 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 2 2 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 (205 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 205 0 205 6.2006 0.8743 14.284 123.714 Orientation ('UB') matrix: 0.1440235 0.0359294 -0.0039096 0.0298735 -0.0024356 0.0771251 0.0661384 -0.0771400 -0.0042561 A B C Alpha Beta Gamma Vol 6.2435 11.7465 13.0191 90.000 96.719 90.000 948.25 0.0004 0.0005 0.0008 0.000 0.004 0.000 0.13 Corrected for goodness of fit: 0.0013 0.0016 0.0024 0.000 0.013 0.000 0.39 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.030 95.954 24.351 Goniometer zeros (deg): 0.0000* 0.0647 0.0000* -0.0744 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1396 -1.0076 0.0732 -0.3591 -0.2625 0.7705 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.58909e+03 5.30362e+03 3.05 5 2 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 205 205 175 Average input ESD (pix, pix, deg): 0.14207 0.11060 0.05303 Goodness of fit: 3.64737 2.82397 2.31961 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 1.017 1.214 2.081 Average missing volume: 0.053 % with too much missing I: 4.068 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 4. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:01 Current XYZ spot size: 1.017 1.214 2.081 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): 0.142 0.141 0.311 Profile convolver halfwidth: 1.00 1.00 1.89 Background pixels updated = 93.29% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.91 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.91 1.000 2_0003 7 -0.10 0.07 0.02 0.17 0.07 0.34 71171 85 0 0.74 23 2.26 3.14 2.91 1.000 3_0004 7 -0.06 0.03 0.13 0.23 0.12 0.37 73924 70 0 0.78 26 2.46 3.27 2.63 1.000 4_0005 7 0.11 0.07 -0.04 0.41 0.12 0.11 49534 60 0 0.69 25 2.54 3.36 2.39 1.000 5_0006 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 22 2.54 3.36 2.25 1.000 6_0007 7 -0.10 0.05 -0.06 0.12 0.07 0.07 62809 69 0 0.72 30 2.44 3.31 2.25 1.000 7_0008 7 0.05 -0.01 -0.10 0.17 0.05 0.18 31978 48 0 0.59 24 2.42 3.27 2.20 1.000 8_0009 15 -0.01 -0.01 0.01 0.12 0.07 0.12 65082 83 0 0.75 27 2.35 3.24 2.18 1.000 9_0010 7 0.01 -0.02 0.06 0.12 0.05 0.15 32045 43 0 0.78 27 2.34 3.22 2.23 1.000 10_0011 11 -0.03 -0.02 0.03 0.12 0.09 0.14 28968 47 0 0.82 25 2.35 3.22 2.20 1.000 11_0012 15 -0.05 0.01 0.03 0.27 0.09 0.08 14863 37 0 0.71 26 2.25 3.13 2.16 1.000 12_0013 5 0.06 -0.11 -0.05 0.12 0.18 0.10 26760 45 0 0.76 24 2.33 3.18 2.18 1.000 13_0014 15 0.27 0.04 -0.07 1.01 0.21 0.23 47737 60 7 0.71 26 2.37 3.23 2.17 1.000 14_0015 11 0.07 -0.00 0.06 0.20 0.12 0.15 67587 72 0 0.69 24 2.38 3.24 2.20 1.000 15_0016 6 0.07 -0.05 -0.00 0.08 0.08 0.05 28742 44 0 0.65 28 2.37 3.22 2.20 1.000 16_0017 5 0.06 -0.11 -0.09 0.27 0.14 0.17 165563 132 0 0.88 31 2.38 3.22 2.20 1.000 17_0018 12 0.09 -0.04 -0.04 0.14 0.17 0.08 103643 102 0 0.73 29 2.40 3.25 2.19 1.000 18_0019 4 0.09 0.02 -0.01 0.15 0.09 0.07 196356 142 0 0.73 29 2.41 3.27 2.25 1.000 19_0020 9 0.06 -0.05 -0.01 0.12 0.07 0.09 61205 76 0 0.69 28 2.40 3.26 2.23 1.000 Background pixels updated = 93.07% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.01 -0.07 -0.01 0.11 0.14 0.04 30386 46 0 0.72 37 2.38 3.26 2.25 1.000 21_0022 7 -0.01 -0.08 -0.01 0.07 0.14 0.10 47806 64 0 0.76 27 2.37 3.25 2.25 1.000 22_0023 11 -0.02 -0.13 -0.08 0.20 0.20 0.17 45938 62 0 0.71 25 2.38 3.24 2.25 1.000 23_0024 12 0.17 -0.05 0.09 0.45 0.16 0.45 111194 86 0 0.83 26 2.38 3.26 2.25 1.000 24_0025 11 0.08 -0.20 0.12 0.37 0.31 0.35 25724 36 9 0.69 26 2.40 3.28 2.25 1.000 25_0026 16 0.18 -0.09 0.03 0.42 0.15 0.14 59095 67 0 0.68 25 2.42 3.28 2.24 1.000 26_0027 5 -0.05 -0.12 0.03 0.13 0.14 0.08 39569 52 0 0.65 25 2.42 3.27 2.27 1.000 I/Sigma = 71.20 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.053 Region 1 Sum = 25016.2; Maximum = 401.075; FM = 0.852 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 2 6 6 5 3 1 1 0 0 0 1 1 0 0 0 0 0 0 2 7 6 3 1 1 0 0 0 5 17 20 16 8 4 2 1 0 0 1 1 0 0 0 0 0 0 3 9 9 5 2 1 1 0 0 7 27 34 28 16 7 3 1 0 0 1 1 1 0 0 0 0 0 3 9 9 6 2 1 1 1 0 8 31 41 35 20 9 3 1 0 0 1 1 0 0 0 0 0 0 2 7 7 5 2 1 1 1 0 6 24 33 30 18 8 3 1 0 0 1 0 0 0 0 0 0 0 1 4 4 3 1 1 1 1 0 3 13 19 19 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 0 1 5 8 9 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 1 3 4 4 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 1 1 1 1 0 0 !Region 1: Section 4->6 1 6 9 10 8 4 2 1 0 1 3 7 9 10 7 3 1 0 0 1 2 3 5 5 3 1 0 5 21 33 35 26 14 6 2 0 2 11 24 34 34 24 13 4 1 1 3 7 14 20 18 11 5 1 8 38 62 68 52 27 11 4 1 4 23 48 70 70 48 24 8 1 1 5 15 30 42 39 23 9 1 9 48 82 92 70 38 16 5 1 5 32 68100100 71 35 12 2 1 8 22 46 64 60 36 14 2 7 38 67 80 63 38 17 6 1 4 26 58 90 95 75 39 14 2 1 7 20 43 65 67 42 18 3 4 21 39 51 43 27 13 5 1 2 15 35 59 67 56 33 14 2 1 4 13 30 48 53 38 19 4 2 8 17 26 27 19 10 4 1 1 6 17 33 43 39 25 11 2 0 2 7 18 32 38 31 17 4 1 3 7 12 15 12 7 3 1 1 2 7 17 26 25 18 9 2 0 1 4 10 20 26 23 15 4 0 1 1 3 4 4 3 1 0 0 1 2 4 7 10 7 4 1 0 0 1 3 6 12 10 7 2 !Region 1: Section 7->9 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 6 5 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 11 14 11 6 1 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 8 18 23 18 10 2 0 0 1 1 2 3 5 4 1 0 0 0 0 0 0 0 0 0 0 1 3 9 20 27 22 13 3 0 0 1 1 3 5 6 5 2 0 0 0 0 0 0 1 1 0 0 1 2 7 16 24 23 15 5 0 0 1 1 3 5 7 7 3 0 0 0 0 0 0 1 1 1 0 1 2 5 11 19 21 16 6 0 0 1 1 2 5 8 8 3 0 0 0 0 0 1 1 1 1 0 0 1 3 8 14 18 16 6 0 0 0 1 2 5 7 9 4 0 0 0 0 0 1 1 1 1 0 0 0 1 3 8 9 9 3 0 0 0 0 1 3 4 5 2 0 0 0 0 0 0 0 1 0 I/Sigma = 280.01 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.069 Region 2 Sum = 410011; Maximum = 14988.7; FM = 0.955 !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 1 0 0 0 0 0 0 1 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 2 8 12 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 1 0 0 0 1 4 17 28 17 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 1 0 0 0 1 4 13 24 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 2 7 11 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 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 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 3 1 0 0 0 0 1 3 6 3 1 0 0 0 0 0 1 3 1 0 0 0 0 1 4 20 32 13 3 0 0 0 1 4 22 38 15 3 0 0 0 0 2 10 18 8 2 0 0 0 2 12 49 70 42 9 1 0 0 2 18 63 84 52 12 1 0 0 1 10 35 43 26 7 1 0 0 2 20 51 71 59 16 1 0 0 4 34 81100 76 21 2 0 0 2 21 52 61 42 12 1 0 0 2 11 33 46 28 7 1 0 0 3 19 58 79 45 10 1 0 0 3 13 39 55 32 8 1 0 0 1 4 13 16 6 1 0 0 0 2 7 22 29 11 2 0 0 0 2 6 15 21 11 3 1 0 0 0 1 3 2 1 0 0 0 0 1 3 5 4 2 1 0 0 0 1 3 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 3 9 9 5 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 16 17 10 3 1 0 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 13 17 11 3 1 0 0 1 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 8 6 2 1 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 3 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 192.69 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 3 Sum = 194193; Maximum = 4833.1; FM = 0.933 !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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 2 6 11 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 4 12 23 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 6 18 29 23 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 5 20 29 19 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 13 22 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 !Region 3: Section 4->6 0 0 1 3 5 3 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 1 1 0 0 0 1 5 14 25 17 7 2 0 0 1 3 12 20 13 6 1 0 0 0 1 3 6 4 2 1 0 0 2 9 32 61 41 16 3 0 0 1 7 29 57 37 15 3 0 0 1 3 10 22 14 6 2 0 0 2 16 51 82 66 26 3 0 0 2 15 53 86 66 26 4 0 0 1 6 26 46 31 12 2 0 0 2 15 59 87 59 20 2 0 0 3 20 69100 66 23 3 0 0 2 15 45 64 39 15 2 0 0 2 11 43 70 36 9 1 0 1 4 19 58 86 47 13 2 0 1 5 21 53 64 34 11 2 0 0 2 8 23 28 14 3 1 0 1 5 16 36 42 22 6 1 0 1 7 21 41 41 20 7 1 0 0 1 4 10 9 4 1 1 0 1 4 11 18 17 8 3 1 0 1 7 18 26 22 11 4 1 0 0 0 1 3 2 1 0 0 0 0 1 3 5 4 2 1 0 0 0 2 7 8 7 3 1 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 16 10 4 1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 20 29 16 6 1 0 0 0 1 4 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 3 11 33 35 15 6 1 0 0 1 2 9 9 3 2 1 0 0 0 0 0 0 0 0 0 0 1 5 15 30 26 11 4 1 0 0 1 4 9 8 3 1 1 0 0 0 0 0 0 0 0 0 0 1 5 15 23 18 8 3 1 0 0 2 5 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 7 6 3 1 0 0 0 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 90.74 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 38341.6; Maximum = 593.16; FM = 0.792 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 9 12 10 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 4 2 1 0 0 0 4 22 36 28 16 5 1 1 0 0 0 0 0 0 0 0 0 0 1 5 6 4 2 1 0 0 0 4 23 40 34 21 6 2 1 0 0 0 0 0 0 0 0 0 0 1 4 6 4 2 1 1 1 0 3 17 32 30 20 7 3 1 0 0 0 0 0 0 0 0 0 0 1 3 4 3 2 1 0 0 0 2 10 20 22 15 7 3 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 1 0 1 0 1 4 10 13 11 6 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 4 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 !Region 4: Section 4->6 1 14 21 19 10 4 1 1 0 1 8 13 14 9 6 3 1 0 0 2 4 5 5 5 3 2 0 5 36 63 54 33 12 4 1 0 3 23 43 44 33 18 9 4 1 1 6 11 16 19 16 10 5 1 5 38 73 73 49 20 7 2 0 4 26 54 69 59 35 17 6 1 1 7 17 30 42 33 20 8 1 3 27 62 73 56 28 12 4 1 2 19 51 79 86 62 33 11 1 1 6 18 42 76 67 41 15 2 2 14 38 55 49 31 15 5 1 1 10 33 68 94 81 48 17 2 1 4 13 42 92 95 64 24 3 1 6 18 33 37 28 16 6 1 1 5 17 44 79 81 55 21 2 0 2 8 30 83100 74 30 3 0 2 8 18 24 20 13 5 1 0 2 8 26 55 63 48 21 3 0 1 4 19 62 81 67 31 4 0 1 3 7 13 14 11 5 1 0 1 3 12 34 45 39 18 2 0 1 2 11 40 58 54 27 4 0 1 1 2 4 4 4 2 0 0 1 1 3 10 17 14 6 0 0 0 1 4 13 24 20 10 1 !Region 4: Section 7->9 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 6 5 3 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 13 12 9 5 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 3 9 25 25 18 8 1 0 1 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 10 32 37 29 13 2 0 0 1 1 1 2 3 3 1 0 0 0 0 0 0 0 1 0 0 1 2 8 30 40 34 17 2 0 0 0 1 1 2 3 4 1 0 0 0 0 0 0 1 1 0 0 1 1 6 23 33 30 17 3 0 0 0 1 1 2 3 5 2 0 0 0 0 0 0 0 1 0 0 1 1 4 16 24 25 16 3 0 0 0 1 1 1 3 4 2 0 0 0 0 0 0 0 1 0 0 0 0 2 5 10 9 6 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 49.27 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 9885.34; Maximum = 151.74; FM = 0.759 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 3 6 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 8 4 1 1 1 0 0 4 16 21 12 4 2 1 0 0 0 1 1 0 0 0 0 0 0 3 10 11 6 2 1 0 0 0 6 23 27 16 5 3 1 0 0 0 1 1 1 0 0 0 0 0 3 11 11 7 2 1 1 0 0 7 25 29 18 6 4 2 1 0 0 1 1 1 1 0 1 0 0 3 10 11 7 3 2 2 1 0 6 22 27 17 8 4 3 2 0 0 0 1 1 0 1 0 1 0 2 6 7 6 3 2 1 1 0 4 13 16 14 8 4 2 2 0 0 0 1 0 0 1 1 0 0 1 3 3 4 2 1 1 1 0 2 7 7 9 6 3 2 2 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 0 0 0 0 0 2 3 4 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 0 0 !Region 5: Section 4->6 0 3 9 7 4 3 1 1 0 0 1 10 10 8 7 5 3 0 0 1 5 7 8 8 6 3 1 3 18 33 26 15 10 6 3 0 1 16 39 40 35 30 19 10 1 1 8 21 25 31 33 23 12 2 5 27 46 42 26 18 10 6 1 3 23 59 70 64 58 40 22 3 1 12 33 44 58 65 48 26 4 5 26 45 49 34 23 15 9 1 2 20 54 85 88 81 60 38 5 1 10 31 55 83100 78 49 7 4 21 35 42 35 22 17 10 1 1 14 36 69 87 79 70 40 5 1 8 20 45 81 98 93 54 8 3 12 19 26 27 20 14 9 1 1 7 18 40 60 67 62 36 5 0 4 11 27 54 80 82 48 8 1 6 9 15 18 16 14 9 1 1 3 9 21 37 50 54 34 5 1 2 6 14 31 56 68 44 8 0 2 3 6 10 13 11 5 0 0 2 3 7 19 33 36 22 3 0 2 3 5 16 33 44 30 5 0 0 1 1 2 4 3 0 0 0 1 1 1 5 9 10 5 1 0 1 1 1 4 9 12 8 1 !Region 5: Section 7->9 0 0 0 1 3 3 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 11 8 4 1 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 2 4 6 16 23 18 10 2 0 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 1 4 8 24 37 31 19 3 0 1 1 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 1 3 8 23 36 38 23 4 0 0 1 1 1 1 3 3 0 0 0 0 1 1 1 1 1 0 0 1 2 5 15 29 33 21 3 0 1 1 2 1 1 2 3 1 0 1 0 1 1 1 1 1 0 0 1 1 3 8 19 26 18 4 0 1 0 0 1 1 1 2 0 0 1 0 0 1 0 0 0 0 0 0 1 2 4 10 17 12 2 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 5 4 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 1 1 0 0 I/Sigma = 41.32 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 6 Sum = 8125.07; Maximum = 129.378; FM = 0.781 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 2 1 0 1 0 0 0 0 2 3 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1 7 8 3 2 1 1 1 0 1 11 12 5 3 2 1 1 0 0 1 1 1 0 0 0 0 0 1 11 12 6 3 1 0 1 0 2 16 20 9 4 2 1 1 0 0 1 0 1 0 0 0 0 0 2 12 12 6 3 1 0 0 0 3 19 22 10 5 2 1 1 0 0 2 1 1 0 0 0 0 0 3 14 12 5 3 1 1 1 0 4 22 20 8 4 2 2 2 0 0 1 1 1 0 0 0 0 0 2 12 10 5 2 1 0 1 0 3 19 15 8 3 1 1 1 1 0 1 1 1 0 0 0 0 0 1 9 9 5 2 2 1 1 0 2 13 13 9 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 4 5 4 2 1 1 1 0 1 6 8 7 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 2 2 1 1 0 0 0 !Region 6: Section 4->6 0 1 3 5 4 3 2 1 0 0 1 4 10 10 10 8 5 1 0 1 2 7 8 10 9 5 1 1 7 12 16 14 10 8 5 1 0 5 16 32 35 32 26 16 3 0 3 10 20 28 32 26 16 3 1 11 22 28 24 19 14 9 1 1 9 31 57 66 65 50 32 5 1 6 19 39 56 66 52 33 6 2 14 27 35 35 26 21 13 1 1 12 39 76100 93 77 48 7 1 8 24 53 87 97 83 51 8 2 13 22 29 33 25 21 13 1 1 9 31 65 95 90 75 45 5 1 6 19 47 83 94 80 46 6 1 10 14 22 27 23 16 11 1 1 6 19 48 77 80 60 38 5 0 4 13 36 67 83 65 39 6 1 7 10 14 19 19 16 10 1 1 5 12 28 53 66 57 36 5 0 3 8 22 46 66 60 37 6 0 3 5 7 10 13 11 7 1 0 2 5 12 27 40 37 24 3 0 2 4 9 23 37 38 24 4 0 1 1 1 3 4 3 2 0 0 1 1 2 7 13 12 7 1 0 0 1 1 6 13 14 9 1 !Region 6: Section 7->9 0 0 1 1 2 3 3 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 2 6 9 8 5 1 0 1 1 1 1 0 1 0 0 0 0 1 1 1 1 1 0 0 0 1 2 5 13 19 16 10 2 0 1 1 1 1 1 2 1 0 0 0 1 1 1 1 1 1 0 0 1 3 8 21 30 26 16 3 0 0 1 1 1 1 2 1 0 0 0 1 0 0 0 1 0 0 0 2 3 8 20 29 25 15 2 0 1 1 1 1 2 2 2 0 0 1 1 0 0 1 1 1 0 0 1 2 6 16 25 21 13 2 0 1 1 0 1 1 2 2 0 0 1 1 0 1 1 1 1 0 0 1 2 4 11 19 19 12 2 0 1 1 0 1 1 2 1 0 0 1 1 0 1 1 1 1 0 0 1 1 2 5 10 12 8 1 0 1 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 4 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 47.64 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.301 Region 7 Sum = 8654.1; Maximum = 122.17; FM = 0.667 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 3 6 4 4 3 1 1 0 0 0 0 1 0 1 0 0 0 0 1 2 2 1 2 0 0 0 2 11 19 14 15 10 3 2 0 0 0 1 0 0 1 1 0 0 0 3 4 3 2 2 1 0 0 5 29 36 28 25 13 5 2 0 0 0 0 0 1 1 1 0 0 1 5 5 3 2 1 2 1 0 9 47 51 36 27 11 5 2 0 0 1 1 1 0 1 0 0 0 1 5 5 4 2 2 1 0 0 12 55 48 34 24 12 4 2 0 0 0 1 1 1 1 1 0 0 1 4 4 2 2 2 1 1 0 12 45 38 25 16 8 4 2 0 0 0 1 1 0 1 0 0 0 0 2 3 2 1 1 1 0 0 6 27 25 18 12 6 3 1 0 0 0 0 1 0 1 1 0 0 0 1 1 2 1 1 1 1 0 2 10 13 11 8 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 3 3 2 2 1 0 !Region 7: Section 4->6 1 5 11 8 9 8 3 1 0 0 3 6 5 7 9 7 1 0 0 0 1 1 4 9 11 2 0 4 20 33 29 33 23 11 6 1 2 11 19 21 29 29 23 10 1 0 3 4 8 15 31 35 14 2 9 51 65 59 57 33 17 8 1 4 26 37 45 51 47 35 17 3 1 3 6 16 29 54 53 25 3 15 84 94 77 63 33 16 8 1 8 44 58 60 59 51 36 20 3 1 6 13 21 33 57 54 34 5 21100 93 76 57 31 15 7 1 10 54 61 62 56 46 33 19 3 1 8 16 24 32 48 47 36 6 21 82 75 59 43 24 13 6 1 10 45 51 52 46 37 29 17 3 1 8 14 22 28 37 41 33 6 11 49 51 44 33 18 12 5 0 6 29 36 40 36 28 24 13 2 1 7 10 17 22 28 32 24 4 3 18 27 27 20 11 8 3 0 2 11 20 26 24 17 14 8 1 0 3 6 12 15 18 17 15 2 0 1 5 8 6 5 3 1 0 0 1 5 8 7 6 5 2 0 0 0 2 4 5 6 6 4 1 !Region 7: Section 7->9 0 1 1 1 2 5 8 1 0 0 1 1 0 1 1 2 0 0 0 1 1 0 0 0 0 0 0 0 3 3 4 7 19 26 11 1 0 2 2 2 2 4 7 4 0 0 1 1 0 1 0 1 1 0 0 2 2 6 13 34 39 19 2 0 2 2 2 3 7 11 6 1 0 1 1 1 1 1 2 1 0 0 3 5 6 13 35 40 27 4 0 2 2 2 3 8 12 8 1 0 1 1 1 0 1 2 1 0 0 4 5 7 13 28 33 30 5 0 2 3 2 3 6 9 9 2 0 2 1 1 1 1 1 1 0 0 3 4 7 12 21 28 29 5 0 2 2 2 3 5 7 9 2 0 1 1 1 1 1 0 1 0 1 3 3 5 9 16 22 21 3 0 1 2 2 2 4 6 7 1 0 0 1 1 0 1 1 1 0 0 1 2 4 6 11 12 12 2 0 1 2 2 2 3 4 4 1 0 1 1 1 1 0 1 1 0 0 0 1 2 2 3 4 3 1 0 0 1 1 1 1 2 2 0 0 0 1 1 0 0 1 1 0 I/Sigma = 62.22 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.449 Region 8 Sum = 18380.7; Maximum = 375.59; FM = 0.729 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 1 3 5 6 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 6 13 16 11 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 2 13 27 28 18 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 3 21 41 38 20 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 3 23 45 39 19 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 17 32 29 15 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 13 15 9 4 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 2 1 0 0 0 !Region 8: Section 4->6 0 2 3 4 3 2 1 0 0 0 1 2 4 6 4 1 1 0 0 0 1 4 9 6 2 1 0 1 5 11 15 13 7 4 2 0 1 3 7 16 24 15 7 2 1 0 1 3 15 34 24 11 4 1 2 11 28 38 28 12 5 2 0 1 6 19 35 40 26 14 5 1 0 1 6 24 48 42 25 11 3 4 26 61 68 44 18 5 1 0 2 15 39 54 50 34 18 7 2 0 3 9 26 47 51 37 19 5 6 45 92 89 48 19 6 1 0 3 27 57 64 47 33 19 7 2 1 4 10 23 38 46 39 19 5 7 50100 90 45 17 5 2 0 4 30 60 58 39 26 15 5 1 1 5 9 14 26 35 28 14 4 5 38 71 67 36 15 5 1 0 3 22 41 42 29 18 9 3 1 0 3 6 9 16 20 15 8 2 2 14 30 36 22 10 3 1 0 1 9 19 23 17 11 4 2 0 0 1 3 5 9 10 6 3 1 0 2 6 11 6 3 1 0 0 0 1 4 7 5 3 1 1 0 0 0 1 1 2 2 2 1 0 !Region 8: Section 7->9 0 0 0 2 5 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 18 15 8 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 10 25 26 17 9 3 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 1 2 10 23 31 26 16 5 0 0 0 1 2 5 5 5 2 0 0 0 0 0 0 0 0 0 0 1 2 8 18 27 28 17 5 0 0 1 1 2 4 6 6 2 0 0 0 0 0 0 1 1 0 0 1 2 4 12 20 20 13 4 0 0 0 0 1 3 4 4 2 0 0 0 0 0 0 0 0 0 0 0 1 3 7 12 11 8 2 0 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 6 5 4 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 174.76 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 9 Sum = 138209; Maximum = 3406.6; FM = 0.975 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 2 5 9 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 6 5 2 0 0 0 1 3 12 26 27 13 3 1 0 0 0 0 0 0 0 0 0 0 0 1 5 11 9 4 1 0 0 1 3 18 42 44 24 5 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 8 4 1 0 0 0 3 13 36 39 22 5 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 4 2 0 0 0 0 1 6 17 19 9 2 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 2 1 1 0 0 0 1 2 5 6 4 1 1 0 0 1 3 8 14 10 4 1 0 0 0 2 6 13 10 4 1 0 0 2 7 20 26 15 4 1 0 0 1 8 31 48 33 11 2 0 0 1 6 27 45 34 14 3 0 1 4 17 49 62 37 10 2 0 0 3 20 61 87 63 23 5 1 0 2 15 48 73 60 28 7 1 1 5 27 68 83 55 16 3 0 1 5 26 71100 76 31 7 1 0 3 16 51 81 68 37 10 1 1 4 21 55 67 45 14 3 0 1 4 19 51 72 57 26 7 1 0 2 10 32 55 50 30 9 1 0 2 9 26 33 19 7 2 0 0 2 8 23 34 28 14 4 1 0 1 4 13 24 26 17 5 1 0 1 2 6 7 5 2 1 0 0 1 2 6 9 10 5 2 0 0 1 1 4 7 10 6 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 2 1 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 16 13 6 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 17 27 25 14 4 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 17 31 30 20 6 1 0 0 0 1 3 5 4 2 0 0 0 0 0 0 0 0 0 0 0 1 2 10 21 23 17 6 1 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 8 12 10 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (202 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 202 0 202 6.2011 0.8749 14.283 123.572 Orientation ('UB') matrix: 0.1440090 0.0359410 -0.0039039 0.0298782 -0.0024207 0.0771126 0.0661357 -0.0771671 -0.0042372 A B C Alpha Beta Gamma Vol 6.2442 11.7425 13.0217 90.000 96.731 90.000 948.20 0.0005 0.0005 0.0008 0.000 0.005 0.000 0.13 Corrected for goodness of fit: 0.0013 0.0014 0.0022 0.000 0.013 0.000 0.36 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.037 95.945 24.351 Goniometer zeros (deg): 0.0000* 0.0667 0.0000* -0.0716 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1720 -1.0272 0.0731 -0.3071 -0.2704 0.7872 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.74366e+03 4.32771e+03 2.75 2 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 185 Average input ESD (pix, pix, deg): 0.14949 0.11510 0.05278 Goodness of fit: 3.23249 2.69476 2.01367 Old XYZ spot size: 1.017 1.214 2.081 New XYZ spot size: 1.275 1.574 2.273 Average missing volume: 0.046 % with too much missing I: 4.594 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 5. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:02 Current XYZ spot size: 1.275 1.574 2.273 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): 0.178 0.182 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 93.23% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.92 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 2.92 1.000 2_0003 8 -0.12 0.13 0.05 0.20 0.14 0.26 68790 81 0 0.76 25 2.22 2.93 2.92 1.000 3_0004 7 0.01 0.11 0.06 0.21 0.12 0.20 76928 72 0 0.79 29 2.45 3.02 2.63 1.000 4_0005 7 -0.58 0.02 -0.02 1.39 0.23 0.08 53351 62 0 0.70 26 2.59 3.10 2.46 1.000 5_0006 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 24 2.59 3.10 2.37 1.000 6_0007 7 -0.10 0.11 -0.06 0.12 0.12 0.07 65750 70 0 0.73 30 2.46 3.05 2.37 1.000 7_0008 7 0.05 0.04 -0.09 0.22 0.10 0.15 33274 49 0 0.60 24 2.41 3.00 2.32 1.000 8_0009 15 -0.02 0.03 -0.01 0.11 0.07 0.07 65479 83 0 0.77 28 2.33 2.95 2.32 1.000 9_0010 7 0.01 0.02 0.03 0.11 0.05 0.09 32591 44 0 0.79 26 2.31 2.89 2.35 1.000 10_0011 11 -0.02 0.03 -0.00 0.12 0.09 0.09 29904 48 0 0.83 27 2.33 2.93 2.34 1.000 11_0012 15 -0.04 0.03 0.01 0.29 0.12 0.07 15415 37 0 0.71 26 2.23 2.84 2.32 1.000 12_0013 5 -0.00 -0.03 -0.04 0.07 0.07 0.10 28766 47 0 0.77 25 2.31 2.90 2.35 1.000 13_0014 15 0.32 0.07 -0.18 1.03 0.24 0.63 49424 61 7 0.72 28 2.35 2.93 2.34 1.000 14_0015 11 0.07 0.02 0.04 0.22 0.13 0.12 68471 73 0 0.70 25 2.36 2.95 2.36 1.000 15_0016 6 0.05 0.00 0.01 0.08 0.09 0.05 31016 45 0 0.67 29 2.35 2.94 2.36 1.000 16_0017 5 -0.02 -0.04 -0.05 0.24 0.09 0.12 166904 134 0 0.89 32 2.35 2.94 2.36 1.000 17_0018 12 0.10 -0.04 -0.04 0.20 0.19 0.09 105974 103 0 0.73 31 2.39 2.98 2.35 1.000 18_0019 4 0.09 0.00 -0.02 0.14 0.06 0.08 201214 143 0 0.74 30 2.40 3.00 2.41 1.000 19_0020 9 0.05 -0.05 -0.00 0.11 0.06 0.09 62911 77 0 0.69 30 2.39 2.99 2.39 1.000 Background pixels updated = 92.97% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.01 -0.07 -0.01 0.11 0.13 0.04 30791 46 0 0.73 38 2.37 2.98 2.40 1.000 21_0022 7 -0.02 -0.05 0.02 0.08 0.10 0.05 51082 65 0 0.75 28 2.35 2.98 2.40 1.000 22_0023 11 -0.04 -0.11 -0.06 0.20 0.18 0.14 47296 62 0 0.72 25 2.36 2.96 2.40 1.000 23_0024 12 0.16 -0.05 -0.01 0.50 0.18 0.15 112594 87 0 0.84 26 2.35 2.97 2.40 1.000 24_0025 11 0.10 -0.15 0.12 0.32 0.25 0.39 27087 37 0 0.69 26 2.37 3.00 2.40 1.000 25_0026 16 0.19 -0.06 0.01 0.45 0.15 0.13 59455 67 0 0.68 25 2.39 3.00 2.40 1.000 26_0027 5 -0.03 -0.09 0.02 0.10 0.10 0.06 40994 53 0 0.66 25 2.39 2.99 2.44 1.000 I/Sigma = 73.07 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.053 Region 1 Sum = 27461.9; Maximum = 632.784; FM = 0.893 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 1 7 10 8 4 1 1 0 0 0 1 1 0 0 0 0 0 0 1 5 7 4 1 1 1 0 0 2 13 24 20 10 3 1 1 0 0 1 1 0 0 0 0 0 0 1 6 9 5 2 1 1 1 0 3 17 35 31 16 6 2 1 0 0 1 0 0 0 0 0 0 0 1 4 7 4 2 1 1 1 0 2 14 30 28 15 6 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 1 0 1 6 13 14 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 2 4 5 4 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 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 1 3 3 2 1 1 0 0 0 1 2 3 3 2 1 0 0 0 0 1 1 2 2 1 0 0 1 7 14 17 12 6 2 1 0 1 3 9 15 16 11 5 1 0 0 1 2 5 9 8 4 1 0 2 16 41 50 35 16 5 1 0 1 8 28 47 48 30 12 3 0 0 2 7 17 27 24 11 3 0 3 24 65 84 64 29 9 2 0 2 14 49 87 93 59 22 5 1 1 3 12 34 56 50 22 6 1 2 20 60 82 64 32 10 3 0 1 13 48 90100 68 28 7 1 1 3 13 37 65 61 31 9 1 1 9 27 43 38 22 8 2 0 1 6 23 49 63 50 23 6 1 0 2 8 23 44 47 28 11 2 1 3 9 17 20 13 6 2 0 0 2 8 22 35 30 17 5 1 0 1 3 11 25 31 22 11 3 0 1 2 6 8 7 4 1 0 0 1 3 8 17 17 11 4 1 0 1 1 5 14 19 15 9 2 0 0 0 1 2 2 1 0 0 0 0 1 2 5 4 3 1 0 0 0 0 2 4 5 5 3 1 !Region 1: 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 1 1 1 2 3 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 6 8 5 2 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 5 13 17 11 5 1 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 17 23 17 8 2 0 0 1 1 2 4 5 4 1 0 0 0 0 0 0 0 0 0 0 1 1 4 13 21 18 12 4 0 0 0 1 2 5 6 6 3 0 0 0 0 0 0 1 1 1 0 0 1 3 8 16 17 15 5 0 0 0 1 2 5 7 8 3 0 0 0 0 0 0 1 1 0 0 0 1 2 5 12 14 14 4 0 0 0 0 1 4 7 8 3 0 0 0 0 0 0 1 1 0 0 0 0 1 2 4 5 5 1 0 0 0 0 1 2 2 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 279.52 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.069 Region 2 Sum = 413921; Maximum = 23708; FM = 0.907 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 2 11 22 11 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 2 10 22 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 15 5 1 0 0 0 0 1 7 18 6 1 0 0 0 0 0 3 8 3 0 0 0 0 0 4 32 59 27 3 0 0 0 0 6 41 72 35 4 0 0 0 0 3 22 35 17 2 0 0 0 1 9 42 70 46 6 0 0 0 1 15 68100 62 9 0 0 0 0 9 42 59 34 5 0 0 0 0 4 21 35 16 2 0 0 0 1 7 38 64 28 4 0 0 0 1 6 25 43 20 3 0 0 0 0 1 5 6 2 0 0 0 0 0 2 9 12 4 1 0 0 0 1 3 6 9 5 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 7 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 12 15 8 2 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 13 7 2 0 0 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 3 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 196.33 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.090 Region 3 Sum = 204018; Maximum = 7826.33; FM = 0.914 !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 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 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 6 13 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 11 22 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 11 22 13 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 10 7 2 0 0 0 0 1 3 8 5 2 0 0 0 0 0 1 2 2 1 0 0 0 1 4 17 39 25 7 1 0 0 0 3 15 37 23 7 1 0 0 0 1 4 11 8 3 0 0 0 1 7 35 76 53 13 1 0 0 1 6 36 83 55 13 1 0 0 0 2 16 38 23 6 1 0 0 1 7 42 83 48 10 1 0 0 1 9 53100 58 12 1 0 0 1 7 35 61 33 8 1 0 0 1 5 25 49 22 3 0 0 0 1 10 40 68 33 5 1 0 0 2 12 39 54 25 5 1 0 0 1 3 11 15 5 1 0 0 0 2 8 21 26 11 2 0 0 0 3 12 28 29 12 3 0 0 0 1 1 3 3 1 1 0 0 0 1 4 8 8 3 1 0 0 0 2 8 15 14 6 2 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 4 5 2 1 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 7 2 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 15 27 12 3 1 0 0 0 0 3 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 7 24 31 11 3 1 0 0 0 1 6 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 9 22 22 7 2 0 0 0 1 3 7 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 15 14 5 2 0 0 0 1 3 6 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 5 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 96.13 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 44074.7; Maximum = 887.335; FM = 0.829 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 6 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 11 23 21 9 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 2 14 33 33 17 4 1 1 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 1 1 1 0 2 13 30 32 19 5 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 1 7 17 21 14 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 7 11 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 4 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 !Region 4: Section 4->6 0 4 11 11 5 2 1 0 0 0 2 6 7 5 2 1 1 0 0 0 1 2 2 2 1 1 0 1 16 43 40 20 6 2 1 0 1 8 26 27 18 9 4 1 0 0 2 5 8 9 8 4 2 0 2 21 65 71 41 13 3 1 0 1 13 44 57 44 22 8 2 0 1 4 11 19 27 21 10 3 1 2 17 61 80 57 22 6 2 0 1 11 46 80 83 51 18 4 0 1 4 13 35 66 53 23 5 1 1 8 33 59 52 28 10 2 0 1 5 27 69100 81 34 7 1 1 2 9 37 92 93 44 9 1 0 3 12 30 36 25 10 3 1 0 2 11 39 81 82 40 9 1 0 1 5 24 82 99 53 13 2 0 1 4 12 19 17 9 3 1 0 1 4 18 49 59 35 10 2 0 1 2 13 52 74 47 15 2 0 1 2 4 8 10 7 3 0 0 1 2 7 25 39 28 9 1 0 1 1 6 31 52 39 15 3 0 0 0 1 2 3 2 1 0 0 0 0 2 8 14 11 3 0 0 0 0 2 11 20 16 6 1 !Region 4: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 2 0 0 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 3 7 7 5 3 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 6 19 18 10 4 1 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 7 28 32 19 6 1 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 1 0 0 0 1 5 26 35 24 9 2 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 1 1 0 0 0 1 4 17 26 21 11 3 0 0 0 1 1 2 3 5 2 0 0 0 0 0 0 0 1 0 0 0 1 2 11 19 18 12 4 0 0 0 0 1 1 3 6 2 0 0 0 0 0 0 0 1 0 0 0 0 1 4 8 8 4 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 51.87 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 5 Sum = 11619.2; Maximum = 235.081; FM = 0.818 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 4 4 2 1 0 0 0 0 2 9 11 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 8 5 1 1 0 1 0 5 21 23 15 4 2 1 1 0 0 1 1 0 0 0 0 0 0 3 10 10 6 2 1 0 1 1 7 26 28 20 6 3 1 1 1 0 1 1 1 0 1 1 0 0 2 9 10 7 2 2 1 1 1 6 23 26 20 7 4 2 1 1 0 0 1 0 0 1 1 0 0 1 4 6 5 3 2 1 1 0 3 13 15 14 8 3 2 2 0 0 0 1 0 0 0 0 0 0 0 2 2 3 2 1 1 1 0 1 5 5 7 5 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 2 3 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 0 1 0 0 0 !Region 5: Section 4->6 0 1 3 3 1 1 0 0 0 0 0 4 5 3 3 2 1 0 0 0 2 3 3 3 2 1 0 2 10 17 14 6 4 2 1 0 1 7 18 21 14 11 7 3 0 0 3 9 12 12 12 8 4 1 5 22 36 34 19 11 5 2 0 2 14 40 52 46 36 20 8 1 1 6 20 29 38 38 22 9 1 5 25 41 50 31 19 10 4 0 2 14 46 81 82 71 46 19 2 1 6 23 47 73 82 54 23 3 5 20 33 44 35 21 13 5 1 1 8 31 69 91 83 61 25 3 1 4 15 41 82100 78 33 5 2 11 16 25 25 18 12 5 1 1 4 13 36 60 70 55 26 4 0 2 7 22 52 82 69 35 6 1 4 5 10 15 15 11 6 1 0 2 5 13 32 49 44 27 5 0 2 3 9 25 52 54 35 7 0 1 2 3 5 8 5 3 0 0 1 2 3 11 23 24 17 3 0 1 2 2 9 22 30 23 4 0 0 0 0 1 2 1 0 0 0 0 0 0 2 5 5 3 0 0 0 0 1 2 5 7 5 1 !Region 5: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 4 3 2 0 0 1 1 0 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 1 2 3 9 11 7 4 1 0 0 1 1 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 1 2 4 18 26 19 9 1 0 0 1 1 1 1 2 1 0 0 0 0 0 0 1 0 0 0 1 2 2 5 21 33 28 13 2 0 1 1 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 1 2 4 13 27 25 15 3 0 1 1 1 1 1 2 2 1 0 1 1 0 1 0 0 1 0 0 1 1 2 6 16 19 15 4 0 0 1 0 1 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 1 1 2 8 11 10 2 0 0 0 0 0 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 2 3 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 44.02 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.586 Region 6 Sum = 9417.34; Maximum = 202.264; FM = 0.824 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 4 1 1 1 1 1 0 1 4 6 2 1 1 2 1 0 0 1 1 0 0 0 0 0 0 2 5 8 4 2 1 1 1 0 3 9 15 7 3 2 1 1 0 0 1 1 0 0 0 0 0 0 2 9 12 7 3 1 0 0 0 4 15 23 13 4 1 0 0 0 0 1 1 0 0 0 0 0 0 2 12 12 6 3 1 1 1 0 4 20 23 11 4 2 2 1 0 0 1 1 0 0 0 0 0 0 2 10 11 6 2 1 0 1 0 3 17 20 10 3 1 1 1 0 0 0 1 0 0 0 0 0 0 1 5 7 5 2 1 1 1 0 3 9 12 9 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 1 0 1 3 5 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 1 2 1 1 1 0 1 0 !Region 6: Section 4->6 0 0 1 2 2 1 1 0 0 0 1 2 4 4 3 3 1 0 0 0 1 2 3 3 3 1 0 1 2 4 7 7 5 3 2 0 0 1 5 14 17 14 10 5 1 0 1 3 9 12 13 9 5 1 1 5 12 18 15 10 8 3 0 1 4 14 36 43 39 28 15 2 1 3 8 22 33 37 27 15 3 2 9 21 32 28 19 13 6 1 1 7 25 66 87 82 58 30 4 1 5 15 42 72 84 59 33 5 2 10 20 30 31 21 16 8 1 1 6 22 66100 93 70 34 5 1 4 13 44 85 97 72 36 6 2 8 13 20 24 18 13 7 1 1 4 13 42 78 79 56 31 6 0 2 8 29 66 82 58 32 6 1 5 8 11 14 15 11 6 1 1 2 7 20 45 58 46 26 5 0 2 5 14 38 57 46 27 6 1 2 3 4 6 8 5 4 1 0 1 2 5 16 28 23 15 4 0 1 2 4 14 27 25 15 4 0 1 1 1 1 2 1 1 0 0 1 1 1 3 6 5 3 1 0 1 1 1 3 5 5 3 1 !Region 6: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 5 9 7 4 1 0 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 13 21 15 9 2 0 1 0 1 1 1 2 1 1 0 0 0 1 1 1 1 1 0 0 1 2 4 16 26 19 11 2 0 1 1 1 1 2 2 3 1 0 0 0 0 0 1 1 1 0 0 1 1 3 12 21 16 9 2 0 1 1 0 1 1 2 2 1 0 0 1 0 1 1 1 1 0 0 1 1 2 7 14 12 8 2 0 1 1 1 1 1 1 2 1 0 1 1 0 0 1 0 1 0 0 1 1 1 2 6 7 5 1 0 1 1 0 0 0 1 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 51.68 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.263 Region 7 Sum = 10945.4; Maximum = 204.489; FM = 0.772 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 1 3 7 7 6 4 2 1 0 0 0 0 0 0 1 0 0 0 0 1 2 2 1 1 0 0 0 1 10 20 18 15 8 2 1 0 0 0 0 0 1 1 0 0 0 0 2 4 2 2 1 1 0 0 2 24 41 31 22 8 3 1 0 0 1 1 1 1 0 0 0 0 0 2 4 3 2 1 1 0 0 5 36 46 31 20 8 3 1 0 0 0 1 1 1 1 0 1 0 0 2 3 2 2 2 1 1 0 4 30 34 21 13 5 2 2 0 0 0 0 1 0 0 0 0 0 0 1 2 1 1 1 0 1 0 2 13 17 12 8 4 2 1 0 0 1 1 0 1 1 0 0 0 0 1 1 1 2 2 1 1 0 1 4 6 5 4 3 3 1 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 1 1 1 1 1 1 0 !Region 7: Section 4->6 0 2 4 3 3 3 2 0 0 0 1 2 3 3 4 3 0 0 0 1 1 1 2 3 3 1 0 1 6 14 14 14 12 6 3 0 1 3 8 9 13 16 11 5 1 1 2 3 3 7 16 16 6 1 2 18 39 40 41 24 12 6 1 1 9 21 29 39 37 25 12 2 1 2 4 9 22 43 34 14 3 4 46 83 76 62 30 14 5 1 2 24 48 58 62 51 33 14 2 0 3 8 18 35 59 48 22 4 9 72100 80 59 29 12 5 1 5 38 63 69 63 49 31 15 3 0 4 13 24 35 50 46 29 6 9 60 76 61 42 22 12 4 1 5 32 51 56 50 39 27 13 3 1 5 12 21 29 38 39 27 6 5 27 39 39 29 16 9 3 0 3 17 30 39 36 26 19 8 1 1 4 9 15 21 24 24 16 4 1 8 15 17 13 9 5 2 0 1 6 15 20 17 13 8 4 1 1 2 6 9 11 11 10 6 1 0 1 2 3 3 2 1 1 0 0 1 3 5 4 3 1 1 0 0 0 2 3 3 3 2 1 1 !Region 7: Section 7->9 0 0 1 1 1 2 2 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 2 2 4 9 10 4 1 0 1 2 1 1 1 2 2 0 0 1 1 1 0 0 1 1 0 1 2 3 4 9 25 23 10 2 0 1 2 2 2 3 5 3 1 0 1 1 1 0 1 1 0 0 0 2 3 5 13 34 33 18 4 0 1 2 2 2 4 7 6 2 0 1 1 1 0 1 2 1 0 0 2 4 6 13 27 32 25 6 0 1 2 2 2 4 6 7 2 0 0 1 1 1 1 1 1 0 1 2 3 6 11 20 27 24 6 0 1 1 2 2 3 6 7 2 0 1 1 2 0 1 0 1 0 0 2 2 4 7 13 17 15 4 0 1 1 2 2 2 5 5 2 0 0 1 1 1 0 1 1 0 0 1 2 2 4 6 7 5 2 0 1 1 2 2 1 2 2 1 0 0 1 2 1 0 1 1 0 0 0 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 0 1 1 0 0 1 0 I/Sigma = 63.08 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.449 Region 8 Sum = 19549.4; Maximum = 543.275; FM = 0.805 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 0 0 1 3 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 2 6 9 7 3 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 1 5 17 24 16 4 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 9 32 37 19 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 9 33 36 18 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 16 19 11 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 8: Section 4->6 0 1 2 2 1 1 1 0 0 0 1 1 2 2 1 1 0 0 0 0 0 1 2 1 1 0 0 0 2 6 7 7 3 2 1 0 0 1 4 8 13 7 2 1 0 0 1 1 7 19 10 3 1 0 1 5 14 24 22 9 4 1 0 0 3 9 23 34 20 8 2 0 0 1 2 17 45 33 15 5 1 1 11 43 66 46 15 4 1 0 1 6 27 52 54 32 14 4 1 0 1 5 23 53 51 31 11 2 2 21 82100 55 17 4 1 0 1 12 51 71 54 33 15 4 1 0 2 7 20 41 49 35 13 3 2 22 85 95 50 15 4 1 0 1 13 52 62 43 24 10 3 1 0 2 7 12 25 32 22 9 2 1 10 41 51 31 11 3 1 0 1 6 25 34 26 13 5 1 0 0 1 3 7 13 14 8 4 1 0 2 9 17 12 4 2 1 0 0 1 6 11 9 5 2 1 0 0 0 1 2 4 5 3 1 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 !Region 8: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 9 5 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 7 21 19 10 4 1 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 8 24 29 21 10 2 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 1 2 6 18 27 24 13 3 0 0 0 1 2 3 5 4 1 0 0 0 0 0 0 0 1 0 0 1 1 3 11 18 16 10 3 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 7 4 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 3 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 174.64 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.103 Region 9 Sum = 140727; Maximum = 5320.19; FM = 0.948 !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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 6 19 20 7 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 6 2 0 0 0 0 2 9 37 40 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 5 2 0 0 0 0 1 6 26 31 13 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 7 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 2 4 3 1 0 0 0 1 3 10 14 6 1 0 0 0 1 3 15 28 17 4 1 0 0 0 2 12 24 17 4 1 0 0 2 9 36 52 24 4 1 0 0 1 9 48 80 49 11 2 0 0 1 7 38 67 49 14 2 0 0 2 15 63 83 42 8 1 0 0 2 15 64100 66 18 3 0 0 1 8 42 76 60 21 4 0 0 1 10 42 58 30 6 1 0 0 1 9 39 62 44 14 2 0 0 1 4 22 43 39 16 3 0 0 1 3 12 16 8 2 0 0 0 1 3 11 19 16 6 1 0 0 0 1 6 13 15 6 2 0 0 0 0 1 2 1 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 2 3 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 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 6 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 22 19 7 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 26 26 11 3 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 14 17 9 3 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6.2011 0.8749 14.283 123.570 Orientation ('UB') matrix: 0.1439980 0.0359504 -0.0039247 0.0299031 -0.0024136 0.0771163 0.0661519 -0.0771651 -0.0042406 A B C Alpha Beta Gamma Vol 6.2440 11.7422 13.0208 90.000 96.725 90.000 948.10 0.0005 0.0005 0.0008 0.000 0.005 0.000 0.14 Corrected for goodness of fit: 0.0013 0.0013 0.0021 0.000 0.012 0.000 0.36 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.047 95.946 24.358 Goniometer zeros (deg): 0.0000* 0.0709 0.0000* -0.0754 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1647 -0.9854 0.0737 -0.2948 -0.2671 0.7877 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.50919e+03 4.10719e+03 2.64 25 2 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 198 Average input ESD (pix, pix, deg): 0.16171 0.12436 0.05293 Goodness of fit: 3.11956 2.59138 1.94886 Old XYZ spot size: 1.275 1.574 2.273 New XYZ spot size: 1.340 1.948 2.449 Average missing volume: 0.047 % with too much missing I: 4.947 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:23:04 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): 1.340 1.948 2.449 Spot size used (deg): 1.340 1.948 2.449 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 15 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 LS profile fitting will be used to worst resolution of 9999.000 A up to I/sigma(I) of 8.000 unweighted fit Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.187 0.225 0.343 Profile convolver halfwidth: 1.00 1.00 1.71 Background pixels updated = 93.15% 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 2.45 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.45 1.000 2_0003 6 -0.15 0.15 0.06 0.23 0.16 0.14 51207 63 0 0.78 25 1.88 2.98 2.45 1.000 3_0004 6 -0.00 0.09 0.00 0.22 0.11 0.12 65076 71 0 0.80 30 2.14 3.11 2.44 1.000 4_0005 7 0.11 0.12 -0.05 0.38 0.14 0.08 52109 63 0 0.76 27 2.27 3.18 2.43 1.000 5_0006 2 1.09 1.01 -0.02 1.33 1.02 0.23 12662 26 0 0.89 27 2.38 3.31 2.42 1.000 6_0007 7 -0.08 0.09 -0.06 0.10 0.11 0.08 43106 72 0 0.76 30 2.21 3.28 2.41 1.000 7_0008 8 0.42 -0.32 -0.06 1.11 1.00 0.11 30090 48 0 0.69 25 2.21 3.17 2.40 1.000 8_0009 15 -0.02 0.02 0.00 0.12 0.06 0.06 59122 85 0 0.77 28 2.09 3.04 2.40 1.000 9_0010 8 0.02 0.00 0.01 0.10 0.08 0.07 28401 44 0 0.81 27 2.06 2.99 2.41 1.000 10_0011 12 -0.03 0.04 0.01 0.12 0.10 0.08 36396 50 0 0.84 28 2.07 3.03 2.40 1.000 11_0012 15 -0.06 0.04 0.02 0.37 0.14 0.07 15160 38 0 0.75 27 2.01 2.94 2.40 1.000 12_0013 5 0.02 -0.01 -0.03 0.08 0.05 0.06 36116 48 0 0.77 25 2.07 2.99 2.40 1.000 13_0014 15 0.28 0.02 -0.35 1.01 0.32 1.06 45229 61 0 0.74 28 2.10 3.04 2.40 1.000 14_0015 12 0.12 0.09 0.02 0.28 0.27 0.09 61782 69 0 0.71 26 2.11 3.06 2.41 1.000 15_0016 6 0.06 0.01 0.00 0.08 0.08 0.05 34652 46 0 0.69 29 2.10 3.04 2.41 1.000 16_0017 6 0.06 0.07 -0.04 0.28 0.24 0.10 84060 124 0 0.89 32 2.11 3.06 2.41 1.000 17_0018 12 0.10 -0.06 -0.04 0.23 0.23 0.09 84256 105 0 0.76 31 2.13 3.09 2.41 1.000 18_0019 4 0.08 -0.01 -0.02 0.12 0.05 0.07 140886 148 0 0.76 32 2.13 3.10 2.43 1.000 19_0020 9 0.04 -0.05 0.00 0.10 0.09 0.09 45064 78 0 0.72 31 2.12 3.09 2.42 1.000 Background pixels updated = 92.85% 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 6 0.02 -0.08 -0.02 0.10 0.12 0.05 28086 46 0 0.74 40 2.10 3.08 2.43 1.000 21_0022 9 0.84 -0.39 -0.45 2.48 0.85 1.31 45755 62 11 0.74 30 2.08 3.06 2.43 1.000 22_0023 11 -0.09 -0.12 -0.04 0.26 0.20 0.12 40292 63 0 0.74 25 2.08 3.04 2.43 1.000 23_0024 12 0.22 -0.04 -0.05 0.56 0.19 0.14 84472 88 0 0.85 28 2.09 3.06 2.43 1.000 24_0025 11 0.09 -0.14 -0.02 0.30 0.22 0.09 22323 38 0 0.71 27 2.11 3.09 2.43 1.000 25_0026 17 0.15 -0.06 0.02 0.43 0.18 0.13 57060 66 0 0.69 25 2.13 3.11 2.43 1.000 26_0027 5 -0.03 -0.08 0.02 0.11 0.09 0.05 41290 53 0 0.67 25 2.13 3.10 2.45 1.000 27_0028 10 0.80 0.46 -0.05 2.45 1.74 0.17 15866 31 0 0.73 29 2.13 3.10 2.46 1.000 28_0029 10 0.22 -0.23 0.02 0.44 0.41 0.09 52963 60 0 0.77 28 2.13 3.12 2.45 1.000 29_0030 8 0.06 -0.22 -0.04 0.18 0.39 0.11 67576 82 0 0.74 38 2.14 3.12 2.46 1.000 30_0031 9 0.15 -0.14 -0.03 0.34 0.20 0.19 45234 62 0 0.76 26 2.12 3.10 2.46 1.000 31_0032 10 0.10 -0.10 0.00 0.13 0.12 0.06 48879 64 0 0.75 29 2.11 3.10 2.48 1.000 32_0033 7 0.03 -0.17 0.07 0.12 0.17 0.11 53108 70 0 0.75 30 2.10 3.10 2.48 1.000 33_0034 9 0.06 -0.18 0.03 0.09 0.25 0.09 48265 74 0 0.82 27 2.11 3.11 2.49 1.000 34_0035 5 -0.03 -0.10 0.06 0.08 0.13 0.07 50804 77 0 0.75 28 2.11 3.11 2.49 1.000 35_0036 9 0.08 -0.18 -0.03 0.14 0.23 0.12 46889 64 0 0.72 30 2.10 3.11 2.49 1.000 36_0037 8 0.01 -0.04 -0.01 0.25 0.15 0.09 24346 39 13 0.78 30 2.09 3.11 2.50 1.000 37_0038 6 1.03 -0.71 -0.17 2.22 1.35 0.37 15720 36 0 0.79 24 2.09 3.10 2.51 1.000 38_0039 11 0.12 -0.26 0.03 0.73 0.36 0.15 17001 35 0 0.73 27 2.09 3.09 2.51 1.000 39_0040 13 0.00 -0.21 0.01 0.16 0.27 0.16 22137 55 0 0.77 31 2.07 3.07 2.50 1.000 Background pixels updated = 93.69% 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 15 0.01 -0.18 0.04 0.15 0.26 0.14 73315 93 0 0.77 28 2.08 3.08 2.50 1.000 41_0042 11 0.75 -0.68 -0.03 2.01 1.52 0.14 28467 46 0 0.68 25 2.07 3.08 2.51 1.000 42_0043 8 -0.01 -0.23 0.02 0.11 0.31 0.06 28654 51 0 0.79 29 2.07 3.09 2.51 1.000 43_0044 10 0.09 -0.25 -0.06 0.24 0.35 0.30 36421 52 0 0.70 27 2.06 3.11 2.51 1.000 44_0045 9 0.03 -0.25 -0.00 0.09 0.30 0.11 72366 76 0 0.76 28 2.07 3.11 2.51 1.000 45_0046 7 0.05 -0.25 0.05 0.10 0.30 0.10 62603 72 0 0.70 26 2.08 3.12 2.51 1.000 46_0047 9 0.00 -0.10 0.05 0.29 0.25 0.12 62685 73 0 0.79 27 2.08 3.12 2.51 1.000 47_0048 13 0.07 -0.21 0.01 0.13 0.29 0.10 48367 61 0 0.72 26 2.06 3.12 2.53 1.000 48_0049 5 0.07 -0.25 0.00 0.13 0.39 0.12 19045 36 0 0.69 28 2.06 3.12 2.53 1.000 49_0050 7 -0.02 -0.14 0.02 0.08 0.15 0.13 56593 66 0 0.69 29 2.06 3.12 2.53 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 (400 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) 400 0 400 6.2006 0.8668 14.284 125.581 Orientation ('UB') matrix: 0.1439805 0.0360374 -0.0038138 0.0296213 -0.0024271 0.0771261 0.0663459 -0.0771230 -0.0042092 A B C Alpha Beta Gamma Vol 6.2433 11.7423 13.0198 90.000 96.705 90.000 947.97 0.0002 0.0004 0.0005 0.000 0.003 0.000 0.08 Corrected for goodness of fit: 0.0008 0.0012 0.0017 0.000 0.008 0.000 0.27 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.942 95.922 24.431 Goniometer zeros (deg): 0.0000* 0.0655 0.0000* -0.0567 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1384 -0.4592 0.0716 -0.2243 -0.2440 0.8120 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.25742e+04 1.22983e+04 3.24 25 1 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 400 400 388 Average input ESD (pix, pix, deg): 0.17471 0.14388 0.05053 Goodness of fit: 3.79218 3.45169 2.14210 Background pixels updated = 94.28% 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 14 0.05 -0.02 -0.00 0.24 0.19 0.13 68886 84 0 0.81 30 2.05 3.14 2.53 1.000 51_0052 9 0.02 -0.18 -0.04 0.12 0.26 0.12 58397 70 0 0.74 31 2.05 3.15 2.54 1.000 52_0053 9 0.06 -0.15 -0.00 0.11 0.19 0.13 42099 63 0 0.78 36 2.05 3.16 2.53 1.000 53_0054 10 0.09 -0.14 0.04 0.11 0.19 0.09 49413 64 0 0.72 29 2.04 3.16 2.53 1.000 54_0055 7 0.18 -0.24 -0.01 0.43 0.39 0.21 52822 75 0 0.86 27 2.04 3.17 2.53 1.000 55_0056 11 0.03 -0.18 0.04 0.11 0.27 0.12 106567 102 0 0.69 28 2.04 3.18 2.53 1.000 56_0057 9 0.07 -0.18 0.05 0.11 0.18 0.11 35721 53 0 0.76 27 2.03 3.18 2.55 1.000 57_0058 6 -0.11 -0.00 0.10 0.54 0.25 0.13 48989 63 17 0.64 26 2.03 3.18 2.55 1.000 58_0059 5 0.09 -0.01 0.01 0.15 0.14 0.10 79883 80 0 0.66 27 2.03 3.18 2.55 1.000 59_0060 5 -0.14 0.03 0.13 0.25 0.16 0.16 62303 67 0 0.62 27 2.03 3.18 2.55 1.000 Background pixels updated = 93.60% 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 0.61 -0.47 0.31 1.79 1.07 0.93 55702 64 0 0.76 28 2.03 3.20 2.55 1.000 61_0062 12 0.21 -0.13 0.08 0.51 0.21 0.15 81088 86 0 0.75 29 2.03 3.20 2.55 1.000 62_0063 10 0.41 -0.21 -0.24 0.91 0.28 0.66 34043 57 0 0.74 28 2.03 3.22 2.56 1.000 63_0064 12 -0.05 -0.42 0.03 0.88 0.67 0.10 20403 32 8 0.65 26 2.03 3.22 2.57 1.000 64_0065 11 -0.06 -0.14 0.05 0.27 0.16 0.21 84377 99 0 0.79 32 2.03 3.24 2.57 1.000 65_0066 8 1.58 -0.10 -0.10 4.26 0.24 0.30 25920 47 0 0.72 28 2.03 3.24 2.58 1.000 66_0067 4 0.30 -0.18 0.07 0.55 0.23 0.15 54241 98 0 0.84 32 2.03 3.25 2.58 1.000 67_0068 14 0.31 -0.05 0.04 0.89 0.45 0.13 64106 76 0 0.74 28 2.03 3.25 2.57 1.000 68_0069 14 0.51 -0.12 0.29 1.54 0.43 0.86 43394 59 7 0.74 27 2.03 3.26 2.56 1.000 69_0070 8 0.11 -0.35 0.43 0.21 0.48 0.98 54360 70 0 0.79 28 2.03 3.27 2.58 1.000 70_0071 6 0.39 -0.13 -0.02 0.70 0.18 0.07 30601 43 0 0.73 28 2.03 3.27 2.58 1.000 71_0072 15 0.16 -0.18 -0.01 0.41 0.32 0.21 51495 60 0 0.71 28 2.02 3.28 2.57 1.000 72_0073 7 0.14 -0.15 0.08 0.24 0.22 0.18 39764 57 0 0.70 26 2.03 3.29 2.57 1.000 73_0074 6 0.08 -0.08 0.12 0.14 0.09 0.25 73076 114 0 0.75 31 2.02 3.29 2.58 1.000 74_0075 10 0.03 -0.09 0.11 0.11 0.11 0.13 97964 93 0 0.68 28 2.02 3.29 2.59 1.000 75_0076 11 -0.07 -0.32 0.15 0.56 0.47 0.79 23016 32 0 0.71 32 2.02 3.29 2.61 1.000 76_0077 6 0.01 -0.10 0.07 0.11 0.14 0.15 24465 52 0 0.71 28 2.02 3.29 2.61 1.000 77_0078 5 0.90 0.05 0.10 2.06 0.17 0.17 86553 91 20 0.66 23 2.02 3.29 2.61 1.000 78_0079 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 2.02 3.29 2.60 1.000 79_0080 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 2.02 3.29 2.60 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_04_0080.sfrm I/Sigma = 65.93 Thresh = 0.020 Blend = F #Contributing = 220 InitialProfileWt = 0.000 Region 1 Sum = 27785.7; Maximum = 545.839; FM = 0.863 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 2 7 6 3 1 1 0 0 0 0 1 1 0 0 0 0 0 0 3 8 6 3 1 1 1 0 0 6 21 20 12 5 2 1 1 0 0 1 1 1 0 0 0 0 0 3 9 10 5 2 1 1 0 0 7 29 37 26 11 4 1 1 0 0 1 0 0 1 0 0 0 0 2 7 10 6 2 2 1 1 0 6 29 47 37 16 5 2 1 0 0 0 0 0 0 0 0 0 0 1 3 6 5 2 1 1 1 0 3 19 38 33 16 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 1 9 21 19 9 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 4 9 8 4 2 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 1: Section 4->6 2 6 8 7 4 2 1 0 0 1 2 5 7 6 2 1 0 0 0 1 1 3 3 2 1 0 0 5 18 25 26 17 6 2 1 0 1 6 15 25 26 12 3 1 0 0 2 4 10 15 10 3 1 0 6 28 51 58 44 17 5 2 0 2 10 31 57 65 38 13 3 0 1 2 8 21 37 32 13 3 0 5 33 71 86 65 28 8 2 1 2 13 43 84 99 70 28 7 1 0 3 10 30 59 68 33 8 1 3 26 68 87 65 28 9 3 1 2 13 46 87100 74 33 9 1 1 3 11 31 62 76 42 12 2 2 16 44 55 39 17 5 2 0 1 10 35 62 67 49 24 7 1 1 3 10 27 49 59 35 11 2 1 8 23 29 20 8 3 1 0 1 6 23 39 40 26 13 5 1 0 2 8 21 35 36 23 9 2 0 2 7 9 8 4 2 1 0 0 2 9 17 19 13 7 3 1 0 1 4 12 20 21 14 7 2 0 1 2 3 3 1 1 0 0 0 1 2 6 7 5 3 1 0 0 0 1 4 7 8 5 3 1 !Region 1: 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 1 1 2 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 9 4 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 13 22 12 4 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 16 28 18 6 1 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 16 26 18 6 1 0 1 1 1 2 4 3 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 14 21 16 7 2 0 0 0 1 2 5 5 3 1 0 0 0 0 0 1 0 0 0 0 1 1 4 10 15 14 8 2 0 0 1 1 2 5 6 4 1 0 0 0 0 1 1 1 1 0 0 0 1 2 4 6 6 4 1 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 296.19 Thresh = 0.020 Blend = F #Contributing = 181 InitialProfileWt = 0.000 Region 2 Sum = 403945; Maximum = 17504; FM = 0.908 !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 2 1 0 0 0 0 0 0 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 4 1 0 0 0 0 1 4 12 14 6 2 0 0 0 0 0 1 1 0 0 0 0 0 0 2 9 11 4 0 0 0 0 1 6 26 42 19 2 0 0 0 0 0 1 1 0 0 0 0 0 0 2 8 11 6 1 0 0 0 0 6 29 54 33 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 0 0 0 0 2 12 24 15 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 4 1 0 0 0 0 0 2 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 3 12 22 12 3 0 0 0 0 1 7 17 10 2 0 0 0 0 0 2 7 6 1 0 0 0 1 7 39 71 35 5 0 0 0 0 4 31 60 32 5 0 0 0 0 2 15 35 19 3 0 0 0 1 9 54100 59 11 1 0 0 0 8 54 99 58 11 1 0 0 0 5 37 65 37 8 1 0 0 0 4 26 54 31 7 1 0 0 0 5 30 64 43 9 1 0 0 0 5 28 49 33 8 1 0 0 0 1 7 11 5 1 0 0 0 0 2 10 17 10 2 0 0 0 0 4 11 17 11 3 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 3 5 3 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 1 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 6 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 14 22 12 3 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 14 19 11 3 0 0 0 0 0 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 8 5 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 166.50 Thresh = 0.020 Blend = F #Contributing = 124 InitialProfileWt = 0.000 Region 3 Sum = 154039; Maximum = 8268.16; 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 4 4 3 1 0 0 0 1 3 5 7 4 1 0 0 0 0 1 2 3 2 1 0 0 0 3 7 15 15 6 1 0 0 0 2 9 24 25 11 2 0 0 0 1 3 11 12 5 1 0 0 0 4 20 39 29 8 1 0 0 1 5 32 71 54 15 2 0 0 0 2 15 36 27 8 1 0 0 1 8 31 51 30 6 1 0 0 1 13 58100 60 12 1 0 0 1 7 32 56 33 7 1 0 0 2 10 26 32 14 2 0 0 0 3 19 51 66 31 5 1 0 0 2 11 30 40 20 4 0 0 0 2 6 11 9 3 1 0 0 0 3 11 23 21 8 1 0 0 0 2 7 15 15 7 1 0 0 0 1 2 3 2 1 0 0 0 0 1 4 7 5 2 0 0 0 0 1 3 5 5 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 13 6 1 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 9 5 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 73.50 Thresh = 0.020 Blend = F #Contributing = 48 InitialProfileWt = 0.005 Region 4 Sum = 32903.8; Maximum = 940.853; FM = 0.814 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 9 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 11 12 7 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 9 12 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 4 8 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 2 4 3 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 2 8 9 4 1 0 0 0 0 2 9 11 5 2 0 0 0 0 1 3 4 2 1 0 0 0 1 10 30 36 21 7 1 1 0 1 9 33 44 30 10 2 1 0 0 3 10 15 12 6 2 1 0 1 11 45 66 47 17 4 1 0 1 11 51 84 68 29 7 1 0 0 3 15 28 29 17 6 1 0 1 7 40 76 63 28 7 2 0 1 7 45100 98 52 16 3 0 0 2 13 35 47 35 15 3 0 0 3 20 51 51 29 9 2 0 0 3 23 69 85 59 22 5 1 0 1 7 26 46 46 25 6 1 0 1 10 26 27 17 7 2 0 0 2 12 36 48 40 20 5 1 0 1 4 14 29 39 26 8 1 0 1 5 13 14 9 4 1 0 0 1 7 19 26 22 13 4 1 0 1 3 8 17 25 19 7 1 0 1 2 7 8 5 3 1 0 0 1 3 11 16 14 8 3 1 0 0 1 5 11 17 14 6 1 0 0 1 2 3 2 1 0 0 0 0 1 3 5 5 3 1 0 0 0 0 2 4 7 6 2 0 !Region 4: 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 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 12 9 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 10 19 16 5 1 0 0 1 1 1 3 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 8 19 18 6 1 0 0 1 1 1 4 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 15 15 6 1 0 0 0 0 1 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 11 12 7 1 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 5 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 48.76 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.024 Region 5 Sum = 14583.2; Maximum = 377.632; FM = 0.825 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 3 1 1 0 0 0 0 3 13 11 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 6 3 1 0 0 0 0 4 19 20 11 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 5 3 1 1 1 0 0 3 14 20 14 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 0 1 0 0 1 6 10 9 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5: Section 4->6 0 2 3 3 1 1 0 0 0 0 1 5 5 3 2 1 0 0 0 1 3 4 3 1 1 0 0 3 14 18 13 8 3 1 1 0 1 9 20 25 20 10 5 2 0 1 3 10 17 17 10 5 2 0 5 27 39 34 23 12 5 1 0 3 21 43 61 59 38 18 5 1 1 6 18 38 47 35 18 5 1 3 22 43 48 37 23 11 3 0 2 17 49 87100 77 42 14 1 1 5 20 53 80 72 45 15 2 2 9 24 34 31 23 12 5 0 1 7 28 62 87 78 49 21 2 0 3 12 38 70 75 55 24 3 1 3 8 16 17 14 8 3 0 1 2 12 30 46 48 34 17 3 0 1 7 19 37 47 39 22 4 0 1 3 6 8 8 5 3 1 0 1 5 13 23 25 20 12 2 0 1 3 10 19 24 23 17 3 0 0 1 2 4 4 3 2 0 0 1 2 6 12 15 13 8 1 0 0 2 5 10 14 14 10 2 0 0 0 1 1 1 1 0 0 0 0 0 2 4 5 4 1 0 0 0 0 1 3 5 4 2 0 !Region 5: Section 7->9 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 4 8 8 5 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 13 17 14 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 19 19 8 1 0 0 1 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 12 15 10 2 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 9 9 2 0 0 -1 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 5 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 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 I/Sigma = 58.23 Thresh = 0.020 Blend = F #Contributing = 20 InitialProfileWt = 0.090 Region 6 Sum = 17112.9; Maximum = 321.937; FM = 0.808 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 4 3 2 1 0 0 1 0 4 14 13 8 3 1 1 1 0 0 0 0 0 0 0 -1 -1 0 3 8 8 4 1 1 0 0 0 9 34 34 21 9 4 2 2 0 0 0 0 0 0 0 0 0 0 2 9 11 6 2 1 0 0 0 10 41 49 34 15 6 2 1 0 0 0 0 1 0 0 -1 0 0 1 6 8 5 2 0 0 0 0 5 23 33 25 12 4 3 2 0 0 0 0 0 0 0 -1 0 0 1 3 4 3 1 0 0 0 0 1 8 14 12 6 2 2 1 0 0 0 0 0 0 -1 -1 0 0 0 1 2 2 1 0 0 0 0 1 3 5 5 3 2 1 1 0 0 0 0 0 0 -1 -1 0 0 0 1 1 1 0 0 0 0 0 1 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 6: Section 4->6 1 4 4 3 2 2 1 0 0 0 3 5 5 4 3 2 1 0 0 2 3 3 3 3 2 1 0 4 18 21 15 12 6 3 1 0 2 10 16 20 23 16 8 3 0 1 3 7 13 17 17 8 3 0 10 46 54 45 33 18 9 4 0 4 23 36 52 61 49 29 11 1 1 5 12 27 44 51 33 12 1 11 58 78 71 53 29 15 7 1 5 29 54 81100 83 57 25 3 2 7 18 41 73 89 73 31 4 5 31 52 56 43 24 15 7 1 3 18 43 73 93 76 57 27 3 1 6 17 41 72 85 74 35 5 1 9 21 26 22 15 10 5 1 1 8 23 40 52 50 36 18 3 1 4 13 27 46 57 47 28 5 1 3 7 9 10 9 5 3 1 0 3 11 17 25 28 20 12 2 0 2 7 13 23 32 28 21 4 0 1 3 3 4 4 3 2 0 0 2 4 7 11 12 10 6 1 0 2 4 7 13 15 16 12 2 0 0 1 1 1 1 1 1 0 0 0 1 2 3 3 2 1 0 0 1 1 3 4 4 4 2 0 !Region 6: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 6 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 8 18 14 5 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 -1 0 1 2 3 5 14 32 33 13 2 0 0 1 1 1 2 4 2 0 0 0 1 0 0 0 0 0 0 0 2 3 5 15 32 35 18 3 0 1 0 1 1 3 5 4 1 0 0 0 0 0 0 0 0 0 0 1 2 4 12 22 25 18 3 0 0 1 0 1 2 5 5 1 0 0 1 0 0 0 1 1 0 0 1 1 3 7 13 16 17 4 0 1 0 1 1 2 4 6 1 0 0 0 0 0 0 1 1 0 0 1 2 2 4 7 11 12 2 0 1 0 0 1 2 4 6 1 0 1 0 0 0 1 1 1 0 0 0 1 1 2 2 3 3 1 0 0 0 0 0 1 1 3 0 0 0 0 0 0 0 0 1 0 I/Sigma = 50.01 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.018 Region 7 Sum = 14509.8; Maximum = 290.387; FM = 0.74 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 3 2 2 1 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 3 11 9 8 6 3 2 0 0 0 1 0 1 0 0 0 0 0 1 2 1 1 1 0 0 0 0 7 31 28 24 17 7 2 2 0 0 0 0 0 1 0 0 0 0 1 3 3 2 1 0 0 0 0 10 48 52 43 28 9 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 2 1 0 0 0 0 8 43 51 39 22 6 2 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 3 18 25 18 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 5 3 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 7: Section 4->6 1 5 4 4 3 1 1 0 0 0 2 2 3 3 2 1 0 0 0 1 0 1 2 2 1 0 0 4 18 16 15 14 9 4 1 0 1 7 8 10 13 12 6 2 0 0 1 3 5 9 12 6 2 0 11 49 49 48 40 24 10 4 0 4 18 23 30 37 39 23 7 1 0 2 5 10 22 44 33 9 1 14 78 97 90 68 31 12 4 1 5 32 50 62 65 61 39 12 1 1 4 9 20 39 79 67 21 3 12 76100 87 57 23 9 2 0 5 35 58 67 61 49 32 13 2 1 5 12 26 45 69 60 30 5 4 35 52 45 28 13 6 1 0 2 19 34 43 39 28 19 8 2 1 4 11 25 38 41 37 22 5 1 7 15 15 11 7 4 1 0 1 5 14 21 21 16 11 4 1 1 2 9 18 25 24 20 13 3 1 2 4 3 3 2 1 1 0 0 2 5 7 8 6 5 2 1 0 2 4 10 13 12 11 6 2 0 0 0 0 1 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 1 3 5 5 4 2 0 !Region 7: Section 7->9 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 5 3 2 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 7 20 17 5 1 0 1 0 0 0 2 2 2 1 0 1 0 0 0 0 0 0 0 1 2 2 5 13 39 37 14 2 0 1 0 1 1 2 4 3 1 0 1 0 0 0 0 0 1 0 1 2 3 7 17 35 37 22 4 0 0 1 2 2 2 4 5 1 0 0 1 1 0 0 0 1 0 0 1 3 9 17 23 25 20 5 0 0 1 1 1 3 5 6 2 0 0 0 1 0 1 1 1 0 0 1 4 8 12 13 14 11 3 0 1 1 1 1 2 3 4 2 0 0 1 1 0 0 1 1 0 0 1 2 5 7 7 7 5 2 0 0 1 1 1 1 2 2 1 0 0 1 1 1 1 1 1 1 0 0 0 2 3 3 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 75.32 Thresh = 0.020 Blend = F #Contributing = 43 InitialProfileWt = 0.012 Region 8 Sum = 29762.9; Maximum = 633.474; FM = 0.812 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 2 3 2 1 1 1 1 1 0 4 9 8 6 3 2 1 1 0 1 1 0 1 1 0 0 0 0 3 6 4 3 1 1 0 0 0 7 20 21 16 8 4 1 1 0 0 0 0 1 0 0 0 0 0 4 12 11 7 2 1 1 1 0 11 44 50 35 15 5 2 1 0 0 0 0 1 0 0 0 0 0 3 13 14 9 2 1 1 1 0 11 50 67 46 17 5 2 1 0 0 0 0 1 1 0 0 0 0 1 6 9 5 2 1 0 0 0 4 27 44 28 10 3 1 1 0 0 0 0 0 1 1 0 0 0 0 2 2 1 1 1 1 0 0 1 7 12 8 4 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 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 8: Section 4->6 1 4 4 3 2 1 0 0 0 0 2 2 3 2 1 1 0 0 0 0 1 1 1 1 1 0 0 3 10 14 13 10 6 2 1 0 1 4 8 12 17 12 4 1 0 0 1 2 6 13 11 4 1 0 5 21 31 33 27 16 5 2 1 1 7 17 31 56 51 20 3 0 1 2 4 17 47 51 23 4 0 9 43 68 67 49 24 7 2 0 2 13 33 64100 78 31 6 1 1 2 7 33 83 84 40 9 1 9 54 94 85 48 18 5 2 0 3 18 48 80 89 55 22 6 1 1 3 12 42 74 66 35 11 2 4 35 68 55 27 9 4 2 0 2 15 42 55 46 26 12 4 1 1 3 13 31 41 36 23 10 2 1 12 23 19 10 4 2 1 0 1 7 18 24 22 14 7 3 1 0 2 8 17 23 21 13 6 2 0 2 3 4 3 2 1 1 0 0 2 4 8 9 7 4 1 0 0 1 3 7 11 12 7 4 1 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 1 1 3 3 2 1 0 !Region 8: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 3 2 0 0 0 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 1 3 10 13 8 2 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 6 19 26 17 6 1 0 1 1 1 1 2 4 2 1 0 0 0 0 0 0 1 1 0 0 1 2 8 19 28 21 11 3 0 0 0 1 2 5 7 5 2 0 0 0 0 0 1 1 1 0 0 1 2 7 13 20 18 12 3 0 0 0 1 2 4 7 8 2 0 0 0 0 0 0 1 2 1 0 0 2 5 9 12 11 8 2 0 0 0 0 2 3 5 6 2 0 0 0 0 0 1 1 2 1 0 1 1 2 5 7 6 4 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 1 1 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 151.48 Thresh = 0.020 Blend = F #Contributing = 122 InitialProfileWt = 0.000 Region 9 Sum = 120793; Maximum = 5057.18; FM = 0.912 !Region 9: Section 1->3 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 1 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 2 5 5 2 1 0 0 0 0 2 7 9 7 3 1 0 0 0 0 1 1 1 0 0 0 0 0 2 6 9 7 3 1 0 0 0 2 9 18 21 15 4 1 0 0 0 1 1 1 0 0 0 0 0 1 4 8 10 7 2 0 0 0 1 7 20 32 30 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 6 3 0 0 0 0 3 11 21 24 11 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 7 9 4 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 !Region 9: Section 4->6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 1 1 1 1 0 0 0 1 4 10 16 14 5 1 0 0 0 2 7 18 20 9 2 0 0 0 1 2 7 10 5 1 0 0 1 6 20 44 48 17 2 1 0 0 2 15 50 68 29 5 1 0 0 1 5 22 35 19 5 1 0 1 5 24 62 78 32 5 1 0 0 2 16 67100 49 9 1 0 0 1 5 28 49 32 10 2 0 0 3 15 41 58 29 5 1 0 0 2 10 42 71 40 9 1 0 0 1 3 16 35 27 11 3 0 0 1 6 15 19 9 2 0 0 0 1 5 15 24 14 4 1 0 0 0 1 6 12 10 6 2 0 0 0 1 3 3 1 1 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 6 6 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 10 13 8 2 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 12 9 3 0 0 0 0 0 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 5 2 0 0 0 0 0 1 2 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 12 Total topped/rescanned pixels: 179 Minimum pixel ceiling(frame): 163809(neal054_04_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_04_0001.sfrm) Total spots predicted: 829 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 74* Outside frame limits: 51* Spots exceeding frame queue size: 1* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 12* 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: 690 Total spot components written: 690 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 690 Twin overlaps written: 0 Average Intensity: 49987.53 Average I/sigma: 87.377 % over "strong" threshold: 91.16 % less than 2 sigma: 0.87 % which spanned more than 1 frame: 83.77 Average X,Y,Z positional errors: 0.16 -0.13 0.01 RMS X,Y,Z positional errors: 0.88 0.45 0.35 % X,Y,Z more than 0.5 pixel: 7.97 8.41 2.17 % X,Y,Z more than 1.0 pixel: 4.20 2.17 1.16 Avg % profile volume populated: 97.66 Avg % profile volume integrated: 25.26 Avg % profile missing I: 2.18 Avg % profile missing volume: 2.34 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 77.78 Max % intensity on XYZ boundaries: 13.92 13.90 1.83 Average spot-shape correlation: 0.728 RMS spot-shape correlation: 0.746 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.096 0.082 4 1.0 2.0 0.300 0.171 2 2.0 4.0 0.474 0.156 16 4.0 8.0 0.635 0.137 22 8.0 16.0 0.717 0.144 57 16.0 32.0 0.727 0.150 114 32.0 64.0 0.747 0.141 234 64.0 128.0 0.772 0.141 156 128.0 256.0 0.831 0.110 85 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): 75.217 Elapsed since INTEGRATE command (sec): 73.741 Integration time, this run (sec): 4.132 Time in unit-cell LS (sec): 0.204 Per-frame integration time (sec): 0.050 Integration completed normally ======================== 10/26/2021 10:23:08 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1577692 will be applied to LS-fit intensities Number of spots read: 690 Number of LS-fit intensities scaled: 47 Number rejected due to poor spot shape: 1 Number unwritable (I, sigma too large): 0 Number written: 689 Sorting Reflection File ============================== 10/26/2021 10:23:08 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_04.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... 689 spot components in 689 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 689 spot components in 689 spots written to file /smb/isengard/data/neal054/work/neal054_04.raw Computing Reflection File Statistics ========== 10/26/2021 10:23:08 Integration of neal054 ................................................................................... Statistics for reflections in neal054_04.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 689 Number of reflection records read = 689 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 689 Number of spot components used = 689 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_04.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 6.243 11.742 13.020 90.000 96.705 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 17 4 17 4 17.6 8343.927 25.31 10.78 0.040 -0.001 0.3 0.000 0.080 0.00 3.5-.47-.30 5.0 2.3 1.3 32.000 28 7 27 8 3.6 12084.156 33.18 10.88 0.045 -0.007 1.2 0.000 0.126 0.00 .58-.27-.02 1.5 .71 .67 64.000 24 7 21 10 4.2 11715.086 33.13 10.97 0.112 0.024 2.7 0.000 0.232 0.00 .38-.25-.00 1.0 .53 1.1 96.000 37 13 31 19 0.0 14645.271 35.49 11.17 0.115 0.003 3.4 0.000 0.252 0.00 .06-.27-.02 .44 .48 .11 128.000 61 26 48 39 0.0 20774.802 42.24 11.48 0.110 -0.009 3.5 0.000 0.265 0.00 .04-.17 .01 .23 .29 .10 160.000 82 31 59 54 0.0 19874.132 40.84 11.77 0.126 0.004 4.6 0.000 0.266 0.00 .05-.11 .01 .20 .25 .08 192.000 111 50 69 92 0.9 32988.870 55.45 12.44 0.085 -0.003 4.3 0.000 0.170 0.00 .09-.12 .01 .14 .22 .09 224.000 101 48 72 77 0.0 49347.887 73.80 13.01 0.086 0.009 5.8 0.000 0.179 0.00 .13-.07 .00 .14 .20 .10 256.000 94 41 75 60 0.0 70117.016 98.94 13.53 0.083 0.008 7.7 0.000 0.180 0.00-.07-.07 .03 .09 .14 .10 288.000 76 24 65 35 0.0 104150.72 150.79 14.63 0.085 0.002 12.1 0.000 0.186 0.00-.04-.07 .04 .06 .13 .13 320.000 27 8 26 9 0.0 125294.22 191.04 14.88 0.057 0.002 10.1 0.000 0.124 0.00 .01-.07 .07 .08 .14 .16 352.000 22 8 22 8 0.0 98214.968 204.28 13.46 0.098 -0.052 20.7 0.000 0.195 0.00 .07-.08 .01 .12 .13 .19 384.000 6 0 6 0 0.0 103737.68 252.92 15.70 0.000 0.000 0.0 0.000 0.000 0.00 .04-.06 .13 .11 .07 .19 416.000 3 1 3 1 0.0 236734.73 426.17 12.94 0.024 -0.003 5.7 0.000 0.047 0.00-.01-.10 .31 .06 .10 .36 448.000 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_04.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 12 22 12 0.0 27599.983 60.89 11.18 0.130 -0.054 7.9 0.000 0.261 0.00 .56 .24 .01 1.7 1.2 .16 32.000 41 26 41 26 0.0 40704.098 83.51 11.44 0.114 -0.037 9.0 0.000 0.228 0.00 .19-.06-.01 .60 .39 .49 64.000 58 39 58 39 1.7 54341.674 100.81 11.93 0.105 -0.022 8.2 0.000 0.209 0.00 .07-.16 .07 .60 .34 .19 96.000 89 64 88 65 1.1 60288.446 99.77 12.89 0.074 -0.025 6.1 0.000 0.148 0.00 .05-.12 .11 .63 .22 .36 128.000 105 71 101 75 1.0 49507.782 85.52 13.40 0.073 0.014 5.6 0.000 0.155 0.00 .17-.08 .02 .68 .15 .23 160.000 106 72 103 75 0.9 51477.348 81.67 13.70 0.091 0.031 6.5 0.000 0.176 0.00 .19-.06-.01 1.2 .13 .30 192.000 101 51 100 52 0.0 51815.701 87.03 13.28 0.084 0.001 4.5 0.000 0.171 0.00 .03-.04-.01 .19 .14 .13 224.000 74 36 74 36 2.7 52033.474 90.89 12.37 0.075 0.008 3.6 0.000 0.151 0.00 .13-.12-.05 .90 .35 .55 256.000 48 22 48 22 0.0 37536.479 74.47 11.68 0.116 -0.003 4.3 0.000 0.232 0.00 .11-.23-.02 .29 .36 .42 288.000 31 8 31 8 0.0 42785.403 76.59 11.35 0.080 0.000 4.0 0.000 0.161 0.00 .45-.53-.02 1.5 .97 .59 320.000 14 6 14 6 0.0 40600.485 71.50 11.19 0.160 0.038 6.1 0.000 0.320 0.00 .78-1.1-.15 1.9 1.7 .18 352.000 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_04.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 5 22 5 0.0 53194.377 82.44 12.35 0.134 -0.021 10.1 0.000 0.267 0.00 .01-.06-.06 .11 .18 .11 30.000 79 37 77 39 0.0 55925.178 88.73 12.84 0.073 0.010 4.0 0.000 0.147 0.00 .02-.07-.03 .09 .16 .09 60.000 107 71 102 76 0.0 58196.294 88.67 13.51 0.089 0.028 6.0 0.000 0.175 0.00 .03-.11-.01 .14 .24 .10 90.000 120 67 116 71 0.8 63161.965 99.24 13.62 0.087 0.011 6.4 0.000 0.176 0.00 .03-.07 .01 .12 .16 .10 120.000 110 77 107 80 0.0 44039.937 77.69 12.92 0.065 0.000 4.8 0.000 0.128 0.00 .04-.12 .05 .16 .20 .11 150.000 91 59 89 61 1.1 46101.581 83.88 12.39 0.096 -0.024 6.3 0.000 0.193 0.00 .07-.18 .06 .34 .31 .29 180.000 67 41 66 42 0.0 46641.154 91.51 11.78 0.100 -0.027 8.5 0.000 0.199 0.00 .14-.18 .04 .57 .32 .50 210.000 38 25 38 25 2.6 30483.419 72.41 11.38 0.097 -0.029 5.7 0.000 0.194 0.00 .36-.28-.08 1.3 .68 .67 240.000 37 12 37 12 5.4 35481.606 87.94 11.08 0.141 -0.045 7.7 0.000 0.283 0.00 1.4-.40 .13 2.9 1.2 .78 270.000 18 5 18 5 5.6 11014.025 30.39 10.79 0.053 0.009 1.2 0.000 0.107 0.00 .93 .36-.30 2.3 1.5 .88 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 67 33 64 36 0.0 30264.004 56.62 11.36 0.114 0.008 4.6 0.000 0.212 0.00 .47-.59 .00 1.4 1.1 .53 2.000 26 0 26 0 0.0 64185.269 122.29 11.85 0.000 0.000 0.0 0.000 0.000 0.00-.07-.13-.16 .11 .23 .18 3.000 394 154 281 267 1.5 27457.855 52.21 12.09 0.091 0.002 4.4 0.000 0.185 0.00 .22-.08-.01 1.0 .40 .39 4.000 202 62 151 113 0.0 97593.765 142.98 14.39 0.082 -0.002 10.2 0.000 0.161 0.00-.03-.06 .07 .08 .11 .13 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 220 101 195 126 0.5 59417.395 91.79 13.15 0.087 0.015 5.5 0.000 0.172 0.00 .03-.09-.03 .12 .20 .10 2.000 10 0 10 0 0.0 86073.120 189.28 13.62 0.000 0.000 0.0 0.000 0.000 0.00 .11-.00-.13 .14 .05 .14 3.000 3 0 3 0 0.0 43488.933 117.07 11.54 0.000 0.000 0.0 0.000 0.000 0.00-.08-.14-.26 .12 .16 .26 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 4 8 4 0.0 37110.900 60.48 11.17 0.142 0.013 5.3 0.000 0.285 0.00 .24-.61-.03 .43 .85 .07 6.000 63 23 58 28 4.8 14423.110 35.51 11.11 0.088 0.004 2.6 0.000 0.190 0.00 .86-.52-.03 2.4 1.1 .82 7.000 169 71 143 97 1.2 17978.706 39.44 11.54 0.116 -0.007 3.7 0.000 0.226 0.00 .23-.07-.01 1.0 .54 .45 8.000 172 99 131 140 0.0 59086.646 90.65 13.16 0.084 -0.017 7.2 0.000 0.170 0.00 .04-.09 .07 .13 .18 .11 9.000 44 12 35 21 0.0 130885.64 214.54 15.26 0.079 -0.001 15.3 0.000 0.144 0.00 .00-.07 .14 .07 .11 .19 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.000 21 7 21 7 0.0 51801.964 78.90 12.13 0.085 -0.003 7.3 0.000 0.170 0.00 .09 .21-.00 .50 .34 .13 5.769 39 18 39 18 0.0 43741.200 78.15 12.43 0.054 -0.012 5.0 0.000 0.107 0.00 .07-.03-.02 .51 .46 .08 9.538 46 16 46 16 0.0 32051.051 65.38 12.49 0.151 -0.068 9.5 0.000 0.302 0.00 .07 .02-.11 .62 .20 .61 13.307 33 12 33 12 3.0 63905.606 105.64 12.46 0.097 -0.030 6.5 0.000 0.194 0.00 .32-.05-.13 1.3 .49 .69 17.076 27 17 27 17 0.0 63351.900 98.80 12.99 0.123 -0.009 9.2 0.000 0.246 0.00 .03-.06-.01 .11 .15 .08 20.845 40 20 40 20 0.0 48580.155 90.51 12.17 0.134 -0.028 8.0 0.000 0.269 0.00 .07-.10-.03 .37 .20 .11 24.614 39 21 39 21 0.0 39782.464 76.02 12.39 0.076 0.021 5.4 0.000 0.153 0.00 .32 .03-.00 1.3 .92 .13 28.383 30 22 30 22 0.0 50210.330 79.48 12.55 0.063 -0.027 4.7 0.000 0.127 0.00 .11-.15-.02 .23 .25 .12 32.152 30 19 30 19 3.3 50222.074 90.18 13.13 0.101 -0.048 9.0 0.000 0.202 0.00 .03-.16 .02 .13 .21 .11 35.921 36 21 36 21 0.0 21645.095 53.05 12.30 0.078 0.008 4.9 0.000 0.155 0.00 .21-.28-.01 1.0 .61 .20 39.690 41 28 41 28 0.0 45313.396 78.20 12.72 0.059 0.015 3.9 0.000 0.117 0.00 .22-.34-.01 1.1 .83 .19 43.459 35 30 35 30 0.0 63811.266 95.04 12.75 0.073 -0.003 5.3 0.000 0.146 0.00 .05-.21 .03 .18 .30 .11 47.228 35 21 35 21 0.0 50505.661 91.64 12.80 0.043 0.001 4.4 0.000 0.086 0.00 .03-.13-.00 .17 .25 .12 50.997 33 25 33 25 0.0 47152.911 76.92 12.74 0.103 0.017 5.3 0.000 0.205 0.00 .09-.18 .01 .22 .26 .14 54.766 29 23 29 23 3.4 75077.628 113.64 13.35 0.077 0.043 5.2 0.000 0.153 0.00 .01-.10 .06 .26 .20 .12 58.535 37 26 37 26 0.0 60472.028 96.23 12.85 0.082 0.016 5.3 0.000 0.163 0.00 .18-.14-.01 .57 .22 .36 62.304 35 22 35 22 2.9 45579.295 84.67 12.71 0.079 -0.002 5.2 0.000 0.158 0.00 .50-.33 .10 2.3 .73 .56 66.073 35 27 35 27 0.0 55467.929 91.50 13.23 0.134 0.031 7.4 0.000 0.269 0.00 .21-.18 .06 .63 .40 .15 69.842 36 23 36 23 2.8 46534.595 88.51 12.56 0.087 0.005 4.3 0.000 0.174 0.00 .34-.12 .19 1.0 .33 .72 73.611 32 18 32 18 3.1 56651.183 96.85 13.14 0.105 0.048 7.5 0.000 0.210 0.00 .13-.15 .12 .88 .30 .48 77.380 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 60.000 52 21 52 21 0.0 48542.724 80.92 12.38 0.068 -0.008 6.1 0.000 0.135 0.00 .09 .06-.02 .54 .45 .10 70.000 96 36 96 36 1.0 50501.777 88.83 12.44 0.117 -0.036 8.0 0.000 0.234 0.00 .15-.01-.10 .88 .32 .58 80.000 98 54 98 54 0.0 43067.731 81.31 12.44 0.104 -0.008 7.1 0.000 0.207 0.00 .16-.05-.02 .85 .60 .11 90.000 83 54 83 54 1.2 41443.347 76.57 12.65 0.084 -0.033 6.3 0.000 0.168 0.00 .13-.20-.01 .67 .43 .15 100.000 98 72 97 73 0.0 47115.423 81.43 12.71 0.068 0.008 4.6 0.000 0.137 0.00 .12-.26 .01 .69 .58 .15 110.000 87 61 86 62 1.1 61109.200 97.92 13.00 0.071 0.021 5.1 0.000 0.141 0.00 .05-.13 .02 .23 .23 .13 120.000 99 67 96 70 1.0 53355.685 90.57 12.94 0.098 0.015 5.9 0.000 0.196 0.00 .31-.20 .04 1.5 .49 .40 130.000 76 43 73 46 2.6 52368.267 93.35 12.83 0.099 0.028 5.9 0.000 0.201 0.00 .23-.16 .15 .91 .34 .59 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.580 50 20 50 20 0.0 48906.467 81.84 12.38 0.070 -0.008 6.4 0.000 0.141 0.00 .09 .06-.02 .55 .46 .10 2.630 73 29 73 29 0.0 37918.793 70.30 12.46 0.118 -0.055 7.5 0.000 0.236 0.00 .07 .03-.06 .50 .20 .49 2.680 54 28 54 28 1.9 63621.685 103.68 12.69 0.140 -0.027 10.5 0.000 0.281 0.00 .18-.10-.10 1.0 .38 .54 2.730 73 35 73 35 0.0 45368.049 85.79 12.30 0.072 0.009 4.9 0.000 0.144 0.00 .21-.03-.01 .98 .68 .12 2.780 66 47 66 47 1.5 42871.999 77.43 12.77 0.085 -0.040 6.8 0.000 0.170 0.00 .16-.20-.01 .69 .46 .16 2.830 65 41 65 41 0.0 36879.333 72.27 12.55 0.059 0.019 3.7 0.000 0.117 0.00 .16-.29 .01 .89 .68 .18 2.880 57 43 57 43 0.0 57648.987 92.79 12.80 0.063 0.002 5.0 0.000 0.127 0.00 .04-.21 .02 .16 .30 .12 2.930 66 50 66 50 0.0 59509.861 94.55 12.87 0.079 0.025 5.3 0.000 0.158 0.00 .07-.15 .01 .20 .24 .13 2.980 62 43 61 44 3.2 51240.255 89.68 12.84 0.086 0.016 5.0 0.000 0.173 0.00 .19-.23 .05 .97 .57 .48 3.030 81 53 79 55 1.2 52244.839 89.25 12.83 0.106 0.012 6.0 0.000 0.213 0.00 .38-.15 .10 1.6 .36 .50 3.080 42 24 42 24 2.4 57593.510 100.54 13.22 0.101 0.039 7.1 0.000 0.203 0.00 .12-.13 .12 .77 .26 .43 3.130 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.180 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.230 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.280 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.330 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 3.380 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 3.430 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.480 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 3.530 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.580 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 5.000 689 208 481 416 0.9 49679.014 86.75 12.68 0.087 0.000 6.0 0.000 0.167 0.00 .16-.13 .01 .88 .45 .35 6.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4 2 3 3100.0 -49.399 -0.37 10.90 1.077 -2.714 1.5 0.000 2.967 0.00 1.6 .21 .84 3.9 .95 1.6 0.100 2 0 2 0 50.0 269.681 2.01 10.77 0.000 0.000 0.0 0.000 0.000 0.00 4.2-1.1-2.0 5.3 1.7 2.8 0.200 3 3 3 3 0.0 385.361 2.34 12.46 0.683 -0.683 1.6 0.000 1.366 0.00-.01-.17 .06 .04 .18 .08 0.300 10 5 10 5 0.0 22879.895 47.90 12.25 0.215 0.017 7.2 0.000 0.429 0.00 .67-.37 .32 1.9 1.1 .97 0.400 49 31 45 35 2.0 24794.610 49.84 12.90 0.078 0.026 3.4 0.000 0.163 0.00 .32-.05 .02 1.7 .13 .20 0.500 74 49 70 53 0.0 32570.049 59.38 12.46 0.101 0.024 5.5 0.000 0.197 0.00 .14-.05 .03 .99 .68 .13 0.600 123 77 116 84 0.0 43973.683 78.73 12.78 0.086 0.033 5.3 0.000 0.170 0.00 .14-.11-.03 .57 .30 .39 0.700 122 58 114 66 0.0 51649.865 86.51 12.71 0.088 0.011 5.7 0.000 0.169 0.00 .10-.18 .05 .42 .40 .36 0.800 234 116 218 132 0.0 56879.222 92.94 12.74 0.074 -0.013 5.6 0.000 0.154 0.00 .12-.14-.02 .62 .46 .19 0.900 68 35 68 35 0.0 78729.997 138.04 12.61 0.108 -0.030 13.3 0.000 0.216 0.00 .06-.08 .06 .26 .24 .14 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 670 208 466 412 0.6 50415.147 87.63 12.73 0.087 -0.000 6.0 0.000 0.167 0.00 .07-.11 .02 .42 .25 .28 0.050 6 1 6 1 0.0 37608.483 73.41 11.06 0.056 -0.003 1.6 0.000 0.112 0.00 .43-.16-.11 .67 .94 .17 0.100 1 1 1 1 0.0 27076.301 44.45 10.98 0.012 -0.012 0.5 0.000 0.024 0.00 .52 .11-.06 .52 .11 .06 0.150 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 2 1 2 1 0.0 50979.648 70.54 11.06 0.145 0.125 13.0 0.000 0.289 0.00 .41 .05-.15 .50 .75 .15 0.250 2 0 2 0100.0 61.335 0.38 10.79 0.000 0.000 0.0 0.000 0.000 0.00 6.0-1.1-2.0 6.2 1.7 2.8 0.300 2 1 2 1 0.0 11706.405 29.68 10.75 0.312 -0.008 0.9 0.000 0.624 0.00 3.9-1.3 1.6 4.4 2.5 2.2 0.350 3 0 3 0 0.0 11386.700 24.26 10.84 0.000 0.000 0.0 0.000 0.000 0.00 4.9-2.8-1.1 5.1 3.4 1.3 0.400 1 0 1 0 0.0 862.877 3.40 10.57 0.000 0.000 0.0 0.000 0.000 0.00 7.7 5.5-.43 7.7 5.5 .43 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 1 0 1 0 0.0 36244.301 37.83 10.95 0.000 0.000 0.0 0.000 0.000 0.00 3.1-2.8-.23 3.1 2.8 .23 0.550 1 0 1 0 0.0 1202.800 5.31 10.85 0.000 0.000 0.0 0.000 0.000 0.00 12. .40-.84 12. .40 .84 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_04.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 38 26 38 26 2.6 55063.728 102.00 12.41 0.058 -0.011 5.4 0.000 0.117 0.00 .22-.10 .10 .96 .32 .53 0.050 23 9 23 9 4.3 46694.796 94.81 12.93 0.130 0.003 4.0 0.000 0.259 0.00 .09-.15-.06 .95 .35 .61 0.100 24 15 24 15 4.2 34114.353 65.45 12.68 0.089 0.029 4.4 0.000 0.177 0.00 .53-.06 .02 2.5 .24 .20 0.150 33 20 33 20 0.0 42850.480 79.82 12.57 0.061 0.016 3.7 0.000 0.122 0.00 .13-.25 .10 .35 .44 .50 0.200 44 27 43 28 0.0 44070.589 79.27 13.00 0.131 -0.002 10.3 0.000 0.257 0.00 .12-.07 .07 .25 .18 .16 0.250 35 21 35 21 0.0 56609.136 97.52 12.75 0.100 0.026 6.6 0.000 0.200 0.00 .02-.11 .01 .32 .31 .20 0.300 43 26 42 27 0.0 51856.423 81.41 13.02 0.050 0.002 3.8 0.000 0.096 0.00 .23-.25 .04 1.0 .79 .14 0.350 46 27 45 28 0.0 56892.294 84.70 13.07 0.080 -0.010 6.7 0.000 0.162 0.00 .06-.09 .03 .13 .17 .09 0.400 43 27 42 28 0.0 47147.797 84.10 12.86 0.072 -0.001 4.2 0.000 0.153 0.00 .09-.11 .01 .30 .19 .12 0.450 47 33 46 34 0.0 53658.328 90.87 12.80 0.072 -0.012 5.6 0.000 0.148 0.00 .19-.21 .07 .93 .58 .46 0.500 36 19 36 19 2.8 40613.239 69.10 12.14 0.122 -0.032 7.7 0.000 0.245 0.00 .41-.18-.20 1.4 .46 .74 0.550 30 17 30 17 0.0 78164.057 114.37 12.90 0.062 -0.019 4.0 0.000 0.125 0.00-.02-.06 .01 .21 .12 .12 0.600 41 17 41 17 0.0 43469.365 77.95 12.05 0.104 -0.000 6.2 0.000 0.208 0.00-.00-.17-.06 .30 .34 .17 0.650 41 25 40 26 0.0 45031.960 78.46 12.75 0.084 0.015 6.0 0.000 0.161 0.00 .29 .03-.01 1.3 .90 .15 0.700 30 15 30 15 0.0 44151.043 86.82 12.45 0.099 -0.014 7.8 0.000 0.199 0.00 .15-.07-.09 .53 .27 .55 0.750 26 15 26 15 0.0 63393.442 104.37 12.75 0.104 0.018 7.1 0.000 0.208 0.00-.04-.14 .00 .21 .32 .11 0.800 40 23 39 24 0.0 66793.522 108.13 12.82 0.116 0.021 7.5 0.000 0.227 0.00 .28-.22-.06 1.0 .71 .18 0.850 22 17 22 17 0.0 30375.528 57.26 12.19 0.080 0.021 3.7 0.000 0.160 0.00-.02-.12 .12 .19 .23 .54 0.900 24 16 24 16 4.2 28939.438 62.67 12.33 0.088 0.021 5.0 0.000 0.177 0.00 .27-.12 .03 .00 .25 .13 0.950 23 14 23 14 4.3 46529.210 97.36 12.83 0.105 -0.048 8.3 0.000 0.211 0.00 .17-.02 .03 .71 .35 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.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 1586.949 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3173.898 1 0 1 0 0.0 878.635 5.79 13.89 0.000 0.000 0.0 0.000 0.000 0.00 .01-.03-.27 .01 .03 .27 6347.797 82 48 70 60 1.2 8924.459 26.26 13.11 0.157 -0.058 3.9 0.000 0.347 0.00 .06-.04 .01 .17 .10 .09 12695.594 267 141 215 193 0.0 24348.833 47.90 12.42 0.097 -0.009 4.7 0.000 0.205 0.00 .06-.11 .02 .33 .20 .25 25391.188 225 95 202 118 1.8 44492.282 74.48 12.29 0.088 0.012 6.2 0.000 0.180 0.00 .22-.18-.01 .92 .46 .52 50782.375 68 21 63 26 1.5 103920.57 131.25 13.29 0.075 0.008 10.3 0.000 0.160 0.00 .54-.13-.00 2.1 1.0 .22 101564.750 37 11 32 16 0.0 196010.63 208.59 14.59 0.072 -0.005 16.2 0.000 0.151 0.00 .09-.14 .03 .51 .48 .16 203129.500 8 2 7 3 0.0 281358.75 319.00 14.19 0.080 -0.017 25.8 0.000 0.176 0.00 .03-.08 .14 .08 .11 .25 406259.000 1 0 1 0 0.0 414392.00 555.49 12.46 0.000 0.000 0.0 0.000 0.000 0.00 .07-.11 .13 .07 .11 .13 812518.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.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 1.889 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.779 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.668 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.557 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.447 144 41 128 57 3.5 16483.267 41.04 11.03 0.113 0.003 3.2 0.000 0.238 0.00 .64-.25-.06 1.9 .93 .73 11.336 337 154 263 228 0.3 38519.726 69.07 12.13 0.105 -0.015 5.7 0.000 0.214 0.00 .05-.12 .01 .15 .21 .11 13.225 140 77 120 97 0.0 76027.153 107.01 13.97 0.071 -0.006 6.5 0.000 0.149 0.00 .02-.05 .04 .10 .08 .11 15.114 59 24 55 28 0.0 111635.12 161.25 16.06 0.073 0.025 10.1 0.000 0.136 0.00-.02-.03 .08 .07 .06 .11 17.004 9 6 9 6 0.0 182647.67 194.39 17.78 0.090 0.056 14.6 0.000 0.179 0.00-.03-.05 .12 .04 .06 .14 18.893 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 2 1 2 1 50.0 145.786 0.98 10.85 0.129 0.071 0.2 0.000 0.259 0.00-2.1-1.1-.20 2.2 1.1 .50 -1.380 1 1 1 1100.0 173.055 1.32 11.04 3.099 -3.099 4.1 0.000 6.197 0.00-1.3 .53 .15 1.3 .53 .15 -1.260 1 0 1 0 0.0 2313.500 11.20 11.09 0.000 0.000 0.0 0.000 0.000 0.00-1.2-.17 .10 1.2 .17 .10 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 1 1 1 1 0.0 7636.400 24.17 10.87 0.179 -0.179 4.3 0.000 0.358 0.00-.83-.11 .33 .83 .11 .33 -0.780 1 1 1 1 0.0 2727.900 11.85 11.25 0.070 0.070 0.8 0.000 0.139 0.00-.68-.45 .15 .68 .45 .15 -0.660 4 2 4 2 0.0 4716.300 17.37 11.21 0.206 0.020 2.2 0.000 0.412 0.00-.61-.36 .11 .61 .40 .13 -0.540 4 3 4 3 0.0 1399.602 7.54 11.36 0.165 -0.033 1.1 0.000 0.331 0.00-.48-.04-.09 .48 .28 .49 -0.420 9 5 9 5 0.0 8358.033 25.46 11.30 0.112 -0.019 1.9 0.000 0.225 0.00-.39-.15 .18 .39 .40 .23 -0.300 22 4 22 4 0.0 28204.498 59.27 11.53 0.129 -0.006 3.1 0.000 0.258 0.00-.23-.16 .07 .24 .32 .17 -0.180 107 46 95 58 0.0 57251.720 91.88 13.04 0.083 -0.007 7.0 0.000 0.179 0.00-.10-.05 .01 .11 .13 .10 -0.060 219 99 189 129 0.0 69160.957 114.33 13.45 0.085 -0.001 7.6 0.000 0.170 0.00-.00-.09 .04 .04 .15 .12 0.060 211 107 164 154 0.0 48932.596 75.62 12.65 0.087 0.007 5.3 0.000 0.176 0.00 .11-.13 .03 .12 .19 .19 0.180 38 23 36 25 0.0 33944.589 65.21 11.85 0.093 -0.000 5.1 0.000 0.189 0.00 .23-.28 .07 .23 .39 .46 0.300 20 12 20 12 5.0 7972.198 25.22 11.52 0.201 0.000 5.2 0.000 0.403 0.00 .36-.12-.10 .36 .41 .14 0.420 10 5 10 5 0.0 14811.020 36.49 11.18 0.146 0.040 4.3 0.000 0.292 0.00 .48-.17-.10 .49 .50 .13 0.540 4 3 4 3 0.0 4135.425 16.23 11.15 0.087 0.025 1.1 0.000 0.174 0.00 .59-.13-.15 .59 .66 .18 0.660 6 2 6 2 0.0 11882.934 32.78 11.03 0.323 -0.034 4.5 0.000 0.646 0.00 .71-.15-.11 .71 .71 .13 0.780 2 1 2 1 0.0 11467.850 30.60 10.92 0.099 -0.055 3.1 0.000 0.198 0.00 .85-.58-.28 .85 .68 .32 0.900 2 0 2 0 0.0 1785.527 10.03 10.94 0.000 0.000 0.0 0.000 0.000 0.00 .99-.13-.29 .99 .43 .36 1.020 4 3 4 3 0.0 12927.050 32.93 10.94 0.023 -0.014 0.6 0.000 0.045 0.00 1.1-.87-.13 1.1 1.1 .26 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 21 5 20 6 14.3 6430.913 21.07 10.85 0.085 0.002 0.7 0.000 0.219 0.00 4.0-.26-.47 4.8 2.2 1.7 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 6 2 6 2 16.7 11416.803 26.19 10.90 0.067 -0.012 1.2 0.000 0.135 0.00 4.9-3.1-.41 5.3 3.3 2.1 -1.380 1 1 1 1100.0 -160.807 -1.39 10.78 0.129 0.129 0.2 0.000 0.259 0.00-2.7-1.3 .25 2.7 1.3 .25 -1.260 1 1 1 1 0.0 35727.898 54.65 11.17 0.242 0.242 13.2 0.000 0.484 0.00 .51-1.1-.05 .51 1.1 .05 -1.140 2 1 2 1 0.0 20700.500 46.36 11.13 0.459 -0.021 3.9 0.000 0.919 0.00 .57-1.1-.12 .60 1.1 .16 -1.020 3 3 3 3 0.0 11730.233 31.22 11.17 0.049 -0.028 1.6 0.000 0.097 0.00 .83-.97-.41 .87 .97 .41 -0.900 6 4 6 4 0.0 16472.113 38.94 11.08 0.100 0.008 3.9 0.000 0.200 0.00-.07-.84-.11 .69 .84 .34 -0.780 3 2 3 2 0.0 39728.132 64.23 11.12 0.146 0.091 8.9 0.000 0.292 0.00 .32-.68-.11 .36 .68 .12 -0.660 16 8 16 8 0.0 15248.831 38.59 11.18 0.092 0.035 3.2 0.000 0.185 0.00 .07-.58-.02 .40 .58 .23 -0.540 23 14 23 14 0.0 31820.078 64.51 11.30 0.074 0.002 2.9 0.000 0.148 0.00 .07-.48 .11 .38 .48 .59 -0.420 33 21 33 21 0.0 36226.576 64.84 11.48 0.091 0.020 5.4 0.000 0.183 0.00 .05-.35 .11 .17 .35 .47 -0.300 90 56 84 62 0.0 32665.733 61.98 11.83 0.099 -0.005 5.2 0.000 0.197 0.00 .13-.23 .02 .43 .23 .25 -0.180 215 113 180 148 0.5 51847.312 86.77 12.91 0.075 -0.003 5.8 0.000 0.152 0.00 .04-.12 .04 .17 .12 .11 -0.060 211 89 180 120 0.0 72199.114 110.65 13.78 0.094 0.001 7.8 0.000 0.174 0.00 .01-.01 .01 .11 .04 .09 0.060 46 16 45 17 0.0 44445.360 81.33 12.20 0.090 -0.000 5.0 0.000 0.180 0.00 .06 .10-.05 .29 .11 .16 0.180 16 6 16 6 0.0 12896.930 38.33 11.36 0.183 -0.064 3.1 0.000 0.367 0.00 .57 .23-.21 1.3 .23 .73 0.300 5 1 5 1 20.0 1811.184 8.66 11.18 0.795 -0.038 2.0 0.000 1.590 0.00 3.7 .36-.24 5.8 .37 .43 0.420 3 2 3 2 33.3 4037.018 17.56 11.00 0.576 -0.217 6.0 0.000 1.152 0.00 .02 .46-.04 .92 .47 .14 0.540 2 1 2 1 0.0 9324.050 27.25 11.10 0.135 0.013 1.1 0.000 0.270 0.00 .50 .56-.13 .50 .56 .13 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 1 0 1 0 0.0 13950.000 29.67 10.83 0.000 0.000 0.0 0.000 0.000 0.00 .70 .80-.13 .70 .80 .13 0.900 2 0 2 0 0.0 13951.100 32.21 10.74 0.000 0.000 0.0 0.000 0.000 0.00 1.6 .97-1.4 1.6 .97 2.1 1.020 1 0 1 0 0.0 2478.600 12.52 11.05 0.000 0.000 0.0 0.000 0.000 0.00 .31 1.1-.25 .31 1.1 .25 1.140 1 1 1 1100.0 -202.405 -1.80 10.93 0.103 -0.103 0.2 0.000 0.206 0.00 5.7 1.2 3.2 5.7 1.2 3.2 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 1 2 1 0.0 1480.939 6.20 10.67 0.002 -0.001 0.0 0.000 0.004 0.00 5.5 3.5-.31 6.0 4.0 .34 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 0 4 0 25.0 5166.530 18.51 10.83 0.000 0.000 0.0 0.000 0.000 0.00 3.8-.36-2.9 4.4 1.3 3.0 -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 1 2 1 0.0 4602.574 16.42 10.85 0.192 0.019 1.1 0.000 0.384 0.00 2.5-1.6-.91 3.8 2.3 .91 -0.900 1 0 1 0 0.0 1202.800 5.31 10.85 0.000 0.000 0.0 0.000 0.000 0.00 12. .40-.84 12. .40 .84 -0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.660 2 1 2 1 0.0 1279.890 6.34 10.93 0.002 0.002 0.0 0.000 0.004 0.00 .01-.31-.63 1.5 .66 .63 -0.540 4 2 4 2 0.0 9210.294 26.61 10.90 0.041 -0.037 1.6 0.000 0.082 0.00 2.7 .76-.46 4.0 2.8 .46 -0.420 5 1 5 1 0.0 19898.720 59.29 11.43 0.153 0.004 1.6 0.000 0.306 0.00 1.8-1.2-.33 3.0 2.3 .33 -0.300 30 10 29 11 0.0 24041.474 59.02 11.57 0.097 0.003 3.1 0.000 0.217 0.00 .40-.23-.22 .92 .72 .22 -0.180 115 45 110 50 1.7 49576.742 89.29 12.29 0.109 -0.005 5.3 0.000 0.234 0.00 .20-.10-.10 .58 .31 .11 -0.060 303 148 253 198 0.0 44869.155 76.12 12.66 0.087 -0.004 5.6 0.000 0.178 0.00 .06-.09 .00 .20 .19 .04 0.060 163 97 146 114 0.6 64308.010 100.78 13.30 0.084 0.004 7.0 0.000 0.169 0.00-.01-.12 .11 .22 .18 .11 0.180 46 21 39 28 2.2 62136.133 113.11 13.20 0.079 0.012 8.0 0.000 0.164 0.00-.10-.16 .22 .52 .33 .22 0.300 7 4 6 5 0.0 58926.699 134.19 12.71 0.079 -0.003 7.5 0.000 0.156 0.00-.19-.31 .34 .39 .38 .34 0.420 2 1 2 1 0.0 34526.049 94.18 11.58 0.013 0.001 0.3 0.000 0.026 0.00-.08-.60 .43 .35 .64 .43 0.540 1 0 1 0 0.0 208666.00 371.29 12.77 0.000 0.000 0.0 0.000 0.000 0.00-.03-.10 .55 .03 .10 .55 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 4 4 4 4 25.0 2568.951 11.94 10.99 0.070 -0.073 0.8 0.000 0.140 0.00 3.0-.78 2.9 4.1 1.9 2.9 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 273 0 273 0 1.1 52836.340 96.79 12.53 0.000 0.000 0.0 0.000 0.000 0.00 .26-.10-.06 1.2 .59 .40 1.000 416 208 208 416 0.7 47607.019 80.66 12.78 0.087 0.000 6.0 0.000 0.167 0.00 .09-.14 .05 .52 .33 .31 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_04.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 689 208 481 416 0.9 49679.014 86.75 12.68 0.087 0.000 6.0 0.000 0.167 0.00 .16-.13 .01 .88 .45 .35 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_04.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 103 20 83 40 0.0 117883.67 187.03 15.13 0.082 0.000 13.1 0.000 0.152 0.00 .00-.05 .06 .07 .09 .15 1.842 96 29 67 58 0.0 78680.571 111.66 13.66 0.076 0.000 8.3 0.000 0.145 0.00-.06-.06 .03 .09 .12 .12 1.468 87 31 56 62 0.0 54457.894 81.87 12.91 0.090 0.000 6.9 0.000 0.175 0.00 .06-.09 .01 .13 .17 .11 1.285 90 36 54 72 0.0 40152.407 62.89 12.59 0.079 0.000 4.2 0.000 0.157 0.00 .10-.10 .01 .13 .22 .09 1.168 64 25 39 50 1.6 30964.877 53.27 12.25 0.107 0.000 5.0 0.000 0.206 0.00 .10-.13 .00 .16 .25 .09 1.085 60 19 41 38 0.0 22958.531 45.06 11.77 0.108 0.000 4.1 0.000 0.212 0.00 .03-.12 .01 .19 .26 .08 1.021 72 24 48 48 0.0 20061.857 40.47 11.57 0.141 0.000 4.7 0.000 0.271 0.00 .08-.15 .01 .23 .30 .09 0.970 45 12 33 24 0.0 12732.727 32.27 11.22 0.094 0.000 2.4 0.000 0.193 0.00 .06-.27-.01 .42 .46 .10 0.928 33 7 26 14 3.0 13042.640 34.03 11.00 0.099 0.000 3.1 0.000 0.196 0.00 .33-.30-.02 1.0 .66 .99 0.893 39 5 34 10 10.3 9611.196 29.29 10.84 0.012 0.000 0.3 0.000 0.025 0.00 1.9-.28-.14 3.5 1.6 1.0 0.862 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 21 8 18 11 28.6 323.784 2.19 11.83 0.562 -0.297 1.4 0.000 1.508 0.00 .95-.35 .11 2.7 1.1 1.3 809.359 21 9 19 11 0.0 1154.663 6.18 12.03 0.261 0.007 1.7 0.000 0.587 0.00 1.3 .30-.26 3.3 1.2 .69 1618.719 46 22 37 31 0.0 2399.189 10.70 11.76 0.217 -0.058 2.2 0.000 0.511 0.00 .25-.06 .02 .79 .42 .44 3237.438 48 24 43 29 0.0 4723.160 17.77 12.18 0.265 -0.077 4.7 0.000 0.613 0.00 .09-.09-.08 .32 .27 .44 6474.875 84 37 73 48 0.0 9481.798 27.75 12.25 0.170 -0.031 4.7 0.000 0.387 0.00 .19-.27 .04 .96 .73 .32 12949.750 124 53 103 74 0.0 18538.198 39.34 12.14 0.138 -0.005 5.3 0.000 0.305 0.00 .12-.14-.01 .40 .28 .22 25899.500 140 58 107 91 0.0 38144.688 59.20 12.53 0.088 -0.005 5.2 0.000 0.206 0.00 .09-.17 .02 .30 .35 .10 51799.000 111 46 85 72 0.0 73338.594 90.46 13.26 0.087 -0.006 7.9 0.000 0.200 0.00 .03-.09 .03 .11 .16 .12 103598.000 63 21 51 33 0.0 138166.70 140.87 14.12 0.080 0.016 10.7 0.000 0.175 0.00-.00-.07 .04 .09 .14 .13 207196.000 31 8 23 16 0.0 276779.65 242.76 14.97 0.062 0.000 14.3 0.000 0.117 0.00-.00-.04 .07 .07 .08 .16 414392.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 5 2 4 3100.0 -13.497 -0.10 10.87 1.077 -7.946 1.5 0.000 2.967 0.00 2.7-.32-.11 4.8 1.4 2.3 1.881 14 6 13 7 7.1 448.980 2.76 12.03 0.547 -0.251 1.4 0.000 1.287 0.00 .97-.04 .18 2.7 1.8 .86 3.539 17 9 17 9 0.0 958.755 5.37 11.88 0.317 -0.003 1.8 0.000 0.633 0.00 1.0 .04-.30 3.1 .18 .75 6.659 43 23 35 31 0.0 2248.440 9.84 11.82 0.225 -0.072 2.2 0.000 0.524 0.00 .17-.05 .04 .75 .42 .45 12.528 69 31 58 42 0.0 5172.533 18.23 12.04 0.204 -0.050 3.7 0.000 0.494 0.00 .35-.20-.07 1.1 .75 .40 23.569 171 64 134 101 0.0 15041.992 34.79 12.04 0.144 -0.015 5.1 0.000 0.319 0.00 .13-.18 .01 .45 .39 .27 44.341 199 80 146 133 0.0 40648.770 61.43 12.61 0.086 -0.005 5.5 0.000 0.193 0.00 .06-.14 .02 .14 .23 .10 83.420 113 38 88 63 0.0 96385.254 110.40 13.65 0.084 0.010 9.1 0.000 0.171 0.00 .01-.08 .03 .11 .16 .12 156.942 50 14 40 24 0.0 194869.79 203.61 15.05 0.068 0.003 13.9 0.000 0.134 0.00-.00-.04 .06 .07 .09 .15 295.260 8 2 7 3 0.0 307053.38 349.52 14.05 0.080 -0.015 25.8 0.000 0.176 0.00 .01-.10 .17 .05 .11 .25 555.485 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 76 39 39 76 0.0 62950.308 96.78 13.04 0.015 0.003 1.1 0.000 0.033 0.00 .14-.10 .07 .51 .28 .32 0.030 66 38 38 66 0.0 56936.677 80.14 12.96 0.046 0.008 3.1 0.000 0.092 0.00 .08-.16 .02 .19 .31 .09 0.060 64 41 41 64 0.0 64899.739 93.42 12.79 0.073 -0.005 5.6 0.000 0.143 0.00 .03-.17 .05 .17 .25 .13 0.090 39 35 35 39 2.6 43160.625 73.84 12.74 0.106 0.062 5.7 0.000 0.210 0.00 .23-.11 .09 .93 .33 .52 0.120 37 37 37 37 2.7 61389.219 95.47 12.73 0.131 0.048 9.3 0.000 0.262 0.00-.02-.19 .03 .49 .35 .14 0.150 35 35 35 35 0.0 43892.857 73.39 12.89 0.165 -0.064 9.8 0.000 0.331 0.00 .05-.15 .03 .22 .26 .13 0.180 20 20 20 20 0.0 21738.847 49.80 11.91 0.198 -0.082 7.5 0.000 0.395 0.00 .08-.12 .10 .22 .20 .65 0.210 18 18 18 18 0.0 26239.333 61.26 13.17 0.222 0.037 10.4 0.000 0.443 0.00 .03-.03 .02 .10 .09 .08 0.240 14 14 14 14 0.0 15450.101 36.93 12.26 0.250 -0.007 8.1 0.000 0.499 0.00 .10-.21-.01 .25 .37 .07 0.270 8 8 8 8 0.0 15946.613 39.84 12.39 0.281 0.153 7.3 0.000 0.561 0.00 .00-.18 .06 .23 .23 .10 0.300 9 9 9 9 0.0 9139.921 27.10 12.79 0.312 -0.255 7.0 0.000 0.625 0.00 .71-.44 .36 2.0 1.2 1.0 0.330 1 1 1 1 0.0 1874.400 9.34 14.52 0.355 -0.355 3.3 0.000 0.710 0.00-.15-.02 .08 .15 .02 .08 0.360 3 3 3 3 0.0 43935.400 85.73 12.72 0.379 -0.260 29.3 0.000 0.758 0.00 .03-.13 .09 .08 .14 .09 0.390 5 5 5 5 0.0 4715.512 17.59 13.12 0.408 -0.350 6.1 0.000 0.816 0.00 .06-.04 .04 .08 .08 .09 0.420 3 3 3 3 0.0 7421.800 25.89 11.71 0.437 -0.389 10.6 0.000 0.875 0.00 .48-.16-.01 .82 .17 .09 0.450 4 4 4 4 0.0 7595.475 22.64 11.77 0.468 -0.468 9.1 0.000 0.937 0.00 .32-.20-.13 .42 .57 .16 0.480 1 1 1 1 0.0 6334.300 29.89 14.75 0.509 -0.509 15.2 0.000 1.018 0.00-.05-.06 .06 .05 .06 .06 0.510 1 1 1 1 0.0 10962.000 32.35 13.37 0.519 -0.519 16.8 0.000 1.038 0.00-.12 .01-.03 .12 .01 .03 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 12 12 12 12 8.3 4796.376 20.16 12.02 0.748 -0.748 10.6 0.000 1.496 0.00-.10-.03 .07 .43 .26 .15 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 17 17 17 17 5.9 6081.201 22.82 12.24 0.632 -0.632 11.3 0.000 1.264 0.00-.03-.01 .03 .41 .25 .14 -0.460 3 3 3 3 0.0 7624.733 25.81 11.75 0.440 -0.440 11.0 0.000 0.879 0.00 .14-.42-.06 .23 .60 .15 -0.420 5 5 5 5 0.0 6069.712 20.01 13.23 0.401 -0.401 7.1 0.000 0.802 0.00 .04-.09 .05 .08 .11 .09 -0.380 2 2 2 2 0.0 52410.200 131.92 13.69 0.377 -0.377 34.4 0.000 0.755 0.00-.08-.03 .07 .11 .03 .08 -0.340 6 6 6 6 0.0 12441.051 31.05 13.01 0.313 -0.313 8.9 0.000 0.625 0.00 1.1-.70 .55 2.4 1.4 1.3 -0.300 5 5 5 5 0.0 10012.680 27.72 11.91 0.269 -0.269 5.7 0.000 0.538 0.00 .13-.10-.02 .19 .12 .04 -0.260 13 13 13 13 0.0 18066.586 45.32 12.72 0.235 -0.235 9.1 0.000 0.470 0.00-.03-.05-.00 .13 .14 .06 -0.220 13 13 13 13 0.0 27209.030 54.91 11.93 0.202 -0.202 8.8 0.000 0.404 0.00 .09-.13 .22 .20 .23 .76 -0.180 21 21 21 21 0.0 52547.057 82.76 12.84 0.167 -0.167 11.1 0.000 0.333 0.00 .04-.13 .06 .23 .20 .13 -0.140 19 19 19 19 5.3 49415.089 88.10 12.19 0.124 -0.124 8.2 0.000 0.247 0.00 .29-.03 .19 1.3 .33 .73 -0.100 37 37 37 37 0.0 60822.578 91.56 12.78 0.075 -0.075 5.6 0.000 0.150 0.00 .09-.17 .03 .23 .30 .14 -0.060 38 38 38 38 0.0 54263.315 82.14 12.91 0.039 -0.039 2.8 0.000 0.079 0.00 .09-.16 .04 .22 .34 .10 -0.020 58 29 29 58 0.0 59739.423 92.17 12.83 0.011 0.000 0.8 0.000 0.023 0.00 .18-.10 .06 .58 .31 .36 0.020 46 46 46 46 0.0 65546.775 89.66 13.29 0.042 0.042 3.1 0.000 0.083 0.00 .04-.15 .03 .12 .21 .10 0.060 39 39 39 39 0.0 59072.513 87.33 12.77 0.074 0.074 5.1 0.000 0.149 0.00 .03-.16 .06 .18 .22 .12 0.100 32 32 32 32 3.1 66877.975 98.17 13.06 0.118 0.118 8.3 0.000 0.237 0.00-.03-.17 .05 .51 .34 .13 0.140 27 27 27 27 0.0 33620.937 59.60 12.88 0.152 0.152 7.5 0.000 0.305 0.00 .09-.22-.02 .18 .35 .13 0.180 11 11 11 11 0.0 29675.096 67.73 12.56 0.206 0.206 9.2 0.000 0.412 0.00 .07-.09-.05 .22 .14 .29 0.220 12 12 12 12 0.0 14429.708 37.03 12.73 0.238 0.238 7.9 0.000 0.477 0.00 .12-.17 .01 .21 .37 .07 0.260 6 6 6 6 0.0 18788.384 43.82 12.52 0.281 0.281 8.6 0.000 0.561 0.00-.01-.22 .08 .26 .27 .12 0.300 3 3 3 3 0.0 2537.659 12.06 12.36 0.309 0.309 3.3 0.000 0.617 0.00 .03 .08-.01 .11 .09 .04 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 2 2 2 0.0 11044.600 28.80 12.38 0.387 0.387 8.7 0.000 0.773 0.00 .08-.05 .09 .10 .11 .10 0.420 1 1 1 1 0.0 1245.500 6.52 11.18 0.431 0.431 2.8 0.000 0.861 0.00 1.4-.25-.09 1.4 .25 .09 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_04.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 63 33 33 63 3.2 22528.263 50.96 12.30 0.010 -0.000 0.4 0.000 0.020 0.00 .31-.16 .15 1.2 .59 .65 1.000 54 31 31 54 0.0 31406.934 63.77 12.47 0.022 0.002 1.4 0.000 0.048 0.00 .08-.16 .04 .26 .36 .41 2.000 47 30 30 47 0.0 36158.254 65.86 12.51 0.038 0.005 2.5 0.000 0.083 0.00 .07-.16 .02 .28 .24 .11 3.000 36 27 27 36 0.0 38340.453 65.50 12.60 0.055 0.008 3.6 0.000 0.111 0.00 .09-.17 .03 .20 .29 .13 4.000 41 32 32 41 2.4 48349.328 84.78 13.06 0.053 -0.001 4.4 0.000 0.110 0.00-.01-.14 .05 .28 .26 .11 5.000 36 30 30 36 0.0 48341.944 73.57 12.74 0.074 0.019 5.5 0.000 0.144 0.00 .06-.16 .02 .15 .27 .11 6.000 27 24 24 27 0.0 50750.715 78.03 12.65 0.082 -0.019 6.4 0.000 0.166 0.00 .05-.14 .04 .14 .19 .09 7.000 12 11 11 12 0.0 31433.033 57.00 12.38 0.132 0.012 7.5 0.000 0.258 0.00 .14-.06 .01 .25 .21 .09 8.000 12 12 12 12 0.0 34691.034 59.28 13.05 0.141 0.036 8.4 0.000 0.283 0.00 .05-.13 .09 .12 .15 .11 9.000 17 15 15 17 0.0 54966.859 78.18 12.83 0.121 0.001 9.4 0.000 0.259 0.00 .05-.15 .05 .09 .22 .10 10.000 12 12 12 12 0.0 47071.308 73.49 13.06 0.141 0.029 10.3 0.000 0.282 0.00 .10-.11 .05 .15 .14 .11 11.000 8 8 8 8 0.0 48728.625 72.69 12.84 0.158 0.000 11.4 0.000 0.315 0.00 .11-.02-.02 .18 .11 .06 12.000 5 5 5 5 0.0 64467.880 100.54 13.36 0.126 0.028 12.7 0.000 0.253 0.00 .05-.11 .09 .11 .14 .15 13.000 6 6 6 6 0.0 62994.281 78.47 12.98 0.173 0.047 13.6 0.000 0.345 0.00 .13-.36-.03 .24 .55 .08 14.000 4 4 4 4 0.0 66374.350 86.02 13.59 0.166 0.081 14.3 0.000 0.332 0.00 .08-.10 .01 .12 .13 .12 15.000 8 8 8 8 0.0 87945.888 107.14 14.80 0.145 0.055 15.5 0.000 0.289 0.00 .01-.03 .08 .09 .10 .12 16.000 8 8 8 8 0.0 135050.56 180.77 13.47 0.091 -0.005 16.6 0.000 0.182 0.00-.04-.10 .07 .07 .13 .15 17.000 1 1 1 1 0.0 24169.699 57.18 16.63 0.311 -0.311 17.8 0.000 0.622 0.00-.05-.06 .10 .05 .06 .10 18.000 3 3 3 3 0.0 180147.77 181.62 15.36 0.103 -0.026 18.6 0.000 0.206 0.00-.04-.04 .08 .04 .08 .08 19.000 2 2 2 2 0.0 193058.65 240.53 12.95 0.082 -0.082 19.5 0.000 0.163 0.00-.03-.09 .12 .03 .09 .16 20.000 1 1 1 1 0.0 92556.398 105.02 12.28 0.196 -0.196 20.6 0.000 0.393 0.00-.05-.13 .04 .05 .13 .04 21.000 2 2 2 2 0.0 108107.00 132.14 14.02 0.164 -0.164 21.6 0.000 0.328 0.00-.03-.04 .08 .05 .10 .09 22.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 23.000 2 2 2 2 0.0 102099.45 157.76 11.93 0.148 -0.148 23.3 0.000 0.295 0.00 .01-.12 .11 .13 .22 .16 24.000 9 5 5 9 0.0 180065.00 190.79 14.63 0.179 -0.005 36.2 0.000 0.312 0.00-.00-.07 .09 .08 .09 .12 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 689 208 481 416 0.9 49679.014 86.75 12.68 0.087 0.000 6.0 0.000 0.167 0.00 .16-.13 .01 .88 .45 .35 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 71 0 71 0 1.4 48466.063 85.06 13.08 0.000 0.000 0.0 0.000 0.000 0.00 .10-.12 .01 .38 .19 .27 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_04.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.842 83 184 45.11 1.24 0.082 20 10.87 0.082 187.03 0.0 to 1.468 150 343 43.73 1.33 0.079 49 14.29 0.076 111.66 0.0 to 1.285 206 510 40.39 1.39 0.082 80 15.69 0.090 81.87 0.0 to 1.168 260 678 38.35 1.45 0.081 116 17.11 0.079 62.89 0.0 to 1.085 299 837 35.72 1.47 0.083 141 16.85 0.107 53.27 1.6 to 1.021 340 994 34.21 1.47 0.084 160 16.10 0.108 45.06 0.0 to 0.970 388 1166 33.28 1.47 0.087 184 15.78 0.141 40.47 0.0 to 0.928 421 1326 31.75 1.47 0.087 196 14.78 0.094 32.27 0.0 to 0.893 447 1467 30.47 1.45 0.087 203 13.84 0.099 34.03 3.0 to 0.862 481 1641 29.31 1.43 0.087 208 12.68 0.012 29.29 10.3