SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:23:47 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 9 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 45.56 (from frame neal054_08_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_08_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_08_0001.sfrm) Base offset per exposure: 64 (from frame neal054_08_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_08_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:23:47 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_08_0001.sfrm Nominal time per frame (s): 21 Intensity normalization in deg/min: 2.85714 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:23:49 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_08_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:23:49 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_08_0001.sfrm Active pixel mask written to neal054_am_08_0001.sfrm Fraction of mask marked active: 0.9595 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 58.943 57.368 255.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 82 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:23:49 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 = 92.00% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 2_0003 5 0.33 -0.29 0.26 0.51 0.32 0.67 12073 28 0 0.64 24 0.78 0.78 2.27 1.000 3_0004 13 0.11 0.01 0.01 0.33 0.29 0.09 52883 67 0 0.64 27 0.78 0.78 2.27 1.000 4_0005 8 -0.04 -0.12 0.07 0.19 0.18 0.17 34790 48 0 0.67 29 0.78 0.78 2.27 1.000 5_0006 7 -0.16 -0.17 0.10 0.79 0.23 0.18 41942 46 0 0.57 25 0.78 0.78 2.27 1.000 6_0007 4 -0.05 -0.06 0.05 0.20 0.07 0.11 30894 46 0 0.73 28 0.78 0.78 2.27 1.000 7_0008 13 0.23 -0.04 -0.11 0.52 0.17 0.39 55968 68 8 0.73 28 0.78 0.78 2.27 1.000 8_0009 6 0.27 0.15 -0.06 0.36 0.36 0.11 29428 37 0 0.62 30 0.78 0.78 2.27 1.000 9_0010 7 -0.02 -0.09 0.05 0.20 0.12 0.07 30424 41 0 0.71 26 0.78 0.78 2.27 1.000 10_0011 11 0.16 -0.08 -0.01 0.61 0.16 0.11 27470 40 0 0.75 30 0.78 0.78 2.27 1.000 11_0012 11 0.06 -0.17 0.08 0.26 0.21 0.18 59515 67 0 0.65 28 0.78 0.78 2.27 1.000 12_0013 11 0.12 -0.05 -0.05 0.55 0.22 0.16 56305 61 0 0.70 28 0.78 0.78 2.27 1.000 13_0014 10 0.23 -0.02 0.04 0.34 0.15 0.19 30872 39 0 0.80 30 0.78 0.78 2.27 1.000 14_0015 4 -0.01 -0.13 0.06 0.12 0.13 0.09 105531 110 0 0.56 27 0.78 0.78 2.27 1.000 15_0016 6 0.27 -0.25 -0.08 0.61 0.37 0.10 18600 33 0 0.58 28 0.78 0.78 2.27 1.000 16_0017 8 0.01 -0.14 -0.03 0.15 0.18 0.07 57410 64 0 0.77 29 0.78 0.78 2.27 1.000 17_0018 7 0.42 -0.04 -0.07 0.82 0.28 0.20 9795.2 28 0 0.62 31 0.78 0.78 2.27 1.000 18_0019 20 0.07 -0.08 -0.01 0.24 0.16 0.12 37969 43 5 0.68 27 0.78 0.78 2.27 1.000 19_0020 5 0.14 -0.08 -0.29 0.38 0.09 0.54 56407 68 0 0.74 24 0.78 0.78 2.27 1.000 Background pixels updated = 91.92% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.10 -0.09 -0.03 0.38 0.31 0.13 61172 70 0 0.73 29 0.78 0.78 2.27 1.000 21_0022 8 0.02 -0.07 -0.04 0.34 0.13 0.11 30433 47 13 0.74 29 0.78 0.78 2.27 1.000 22_0023 3 -0.03 -0.09 0.39 0.14 0.10 0.69 13019 28 0 0.66 24 0.78 0.78 2.27 1.000 23_0024 9 0.07 -0.11 -0.03 0.13 0.14 0.09 14896 27 0 0.67 27 0.78 0.78 2.27 1.000 24_0025 8 0.04 -0.10 -0.02 0.25 0.12 0.08 13680 29 0 0.64 27 0.78 0.78 2.27 1.000 25_0026 15 -0.01 -0.14 -0.06 0.13 0.17 0.18 43994 58 0 0.72 27 0.78 0.78 2.27 1.000 26_0027 12 0.22 -0.30 -0.06 0.40 0.38 0.20 30838 56 0 0.69 33 0.78 0.78 2.27 1.000 27_0028 8 0.19 -0.20 0.05 0.34 0.24 0.16 76575 71 0 0.69 28 0.78 0.78 2.27 1.000 I/Sigma = 66.33 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.041 Region 1 Sum = 18993.5; Maximum = 281.905; FM = 0.608 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 6 14 21 22 14 5 1 0 0 0 0 0 0 0 0 0 0 0 2 5 3 2 1 1 1 0 0 11 30 34 26 16 7 3 1 1 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 0 0 0 12 35 44 36 20 9 3 1 1 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 0 0 0 9 28 35 33 23 12 5 2 1 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 7 22 26 23 14 6 2 1 1 0 0 0 0 0 0 0 0 0 1 3 2 2 1 1 0 0 0 5 17 23 21 13 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 3 9 13 14 11 6 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 5 7 7 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 2 1 0 0 !Region 1: Section 4->6 11 31 52 55 36 14 2 1 0 6 19 34 37 27 14 6 4 1 0 1 3 5 8 11 11 7 2 17 56 76 69 48 26 10 4 2 9 34 53 60 53 37 19 9 3 1 5 10 18 25 28 23 14 4 22 72100 91 59 28 11 4 1 13 44 68 72 59 40 22 10 3 1 5 11 19 29 35 29 18 5 16 55 84 89 69 40 16 5 2 9 36 62 74 69 51 28 13 4 2 6 12 21 31 39 38 25 7 13 44 62 62 45 26 10 4 2 8 29 47 56 55 44 25 13 5 1 5 11 19 31 38 34 25 8 9 34 53 55 39 21 8 3 1 5 21 38 45 40 31 19 11 4 1 4 7 13 21 28 30 23 7 5 20 33 38 33 21 9 4 1 3 13 25 33 35 29 19 11 4 1 3 5 10 16 23 26 25 8 3 11 16 19 16 10 6 3 1 2 7 12 17 18 16 13 9 3 1 1 3 6 10 15 20 20 7 1 5 9 13 12 8 4 1 0 1 3 7 10 11 9 6 4 1 0 0 1 2 4 6 8 9 2 !Region 1: Section 7->9 0 0 1 1 4 7 9 7 1 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 14 16 11 3 0 0 0 1 2 3 4 3 1 0 0 0 0 1 0 0 0 0 0 1 2 5 11 20 22 14 4 0 0 0 1 2 4 5 4 1 0 0 0 0 0 0 0 0 0 0 1 2 4 11 23 31 23 6 0 0 0 1 1 5 9 7 1 0 0 0 0 0 0 0 0 0 0 1 2 4 9 20 26 21 6 0 0 0 1 1 4 7 6 2 0 0 0 0 0 0 0 0 0 0 1 1 3 8 17 25 21 6 0 0 0 1 1 4 7 6 2 0 0 0 0 0 0 0 0 0 0 1 1 2 5 12 21 27 6 0 0 0 1 1 3 6 10 2 0 0 0 0 0 0 0 1 0 0 1 1 2 4 9 17 22 6 0 0 1 1 1 2 5 7 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 8 13 2 0 0 0 0 1 2 3 5 1 0 0 0 0 0 0 0 0 0 I/Sigma = 211.87 Thresh = 0.020 Blend = F #Contributing = 48 InitialProfileWt = 0.079 Region 2 Sum = 183147; Maximum = 2472.24; FM = 0.877 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 3 8 10 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 6 10 10 6 2 0 0 2 11 33 48 44 24 5 1 0 0 0 0 0 0 0 0 0 0 1 2 6 11 11 6 2 0 1 3 13 33 53 50 26 6 1 0 0 0 0 0 0 0 0 0 0 1 2 5 8 10 6 1 0 0 3 12 29 46 49 27 6 1 0 0 0 0 0 0 0 0 0 0 0 1 4 7 9 4 1 0 0 3 11 26 44 46 23 4 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 2 0 0 0 1 6 18 31 30 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 3 12 19 14 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 !Region 2: Section 4->6 0 1 4 10 13 8 4 1 1 0 1 2 8 14 12 8 2 0 0 0 2 7 17 14 9 3 1 0 4 19 54 76 61 29 7 1 0 3 15 41 59 49 24 8 1 0 2 8 22 38 39 23 10 2 1 6 25 60 84 72 34 8 1 1 6 25 57 78 67 37 12 2 1 5 16 38 59 61 42 16 3 1 7 28 60 83 80 42 10 1 1 10 35 71100 94 51 15 2 1 8 24 55 93 94 54 19 3 1 7 26 55 78 77 37 8 1 1 11 34 68 92 86 48 15 2 1 9 25 59 87 84 54 21 3 1 4 16 41 62 57 24 5 1 1 7 23 51 75 73 39 13 2 1 6 19 43 69 73 48 21 3 0 2 9 27 40 29 12 4 1 0 3 12 35 52 48 29 10 1 0 3 10 30 51 57 43 18 3 0 1 3 12 17 13 6 2 0 0 1 5 17 28 31 19 7 1 0 1 6 18 33 46 31 13 2 0 0 1 3 5 5 3 1 0 0 0 2 7 6 6 5 2 0 0 1 3 10 5 5 7 4 1 !Region 2: Section 7->9 0 0 1 3 8 6 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 15 17 11 5 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 6 14 24 27 20 9 2 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 3 9 22 39 40 25 11 2 0 1 2 4 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 3 10 25 38 37 26 12 2 0 1 3 4 5 5 4 3 1 0 0 0 0 0 1 1 0 0 0 3 8 19 31 35 26 14 3 0 1 2 4 5 6 6 4 1 0 0 0 0 0 1 1 1 0 0 2 5 14 24 29 24 13 3 0 1 1 3 4 6 5 4 1 0 0 0 0 0 1 1 1 0 0 1 3 9 18 26 19 11 3 0 1 1 2 4 6 5 4 1 0 0 0 0 1 1 1 1 0 0 0 1 5 4 5 6 4 1 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 107.70 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.079 Region 3 Sum = 54522; Maximum = 937.545; FM = 0.818 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 2 5 9 10 10 9 5 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 4 2 1 0 3 7 13 17 21 20 11 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 2 1 1 3 8 14 20 25 22 11 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 0 0 2 6 12 19 24 21 9 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 1 4 8 15 20 16 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 3 6 12 15 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 4 7 8 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 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 3: Section 4->6 1 6 14 22 26 24 18 8 1 1 4 11 17 22 23 15 6 1 0 1 2 4 6 9 6 3 1 1 7 18 31 45 51 39 19 4 1 5 14 27 46 54 37 17 4 0 1 4 8 18 25 18 8 2 2 9 23 42 66 72 51 21 4 1 8 20 42 76 85 55 20 4 0 2 5 14 34 43 27 10 2 1 6 18 41 69 75 54 21 3 1 5 17 47 92100 66 23 4 0 2 6 21 50 58 37 13 2 1 3 13 34 61 67 46 16 2 1 4 15 48 93 96 62 20 3 0 2 7 28 59 60 39 13 2 1 3 11 29 52 56 34 10 1 1 4 15 45 83 84 50 15 2 1 3 9 30 56 56 34 11 2 0 2 7 19 35 36 19 5 1 1 3 12 32 60 60 33 9 1 1 3 9 25 44 45 26 9 1 0 1 5 11 19 17 9 2 0 1 3 9 21 35 34 18 5 1 1 3 9 20 31 32 18 6 1 0 1 2 5 7 6 3 1 0 0 1 3 8 14 13 7 2 0 0 2 3 9 14 13 9 4 1 !Region 3: Section 7->9 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 10 7 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 12 15 10 4 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 15 16 11 5 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 4 10 17 17 11 5 1 0 0 1 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 1 2 5 10 15 17 12 6 1 0 1 1 2 2 3 3 2 1 0 0 0 0 0 0 0 0 0 1 2 5 10 13 14 10 5 1 0 1 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 8 8 7 4 1 0 0 1 2 2 2 3 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 46.74 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 10026.4; Maximum = 169.686; FM = 0.752 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 3 6 3 2 1 1 0 0 0 7 18 12 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 4 9 8 4 2 0 0 0 0 15 33 27 15 6 2 1 1 0 0 0 0 0 0 0 0 0 0 4 7 6 4 1 0 0 0 0 13 27 23 15 5 2 1 1 1 0 0 0 0 0 0 0 0 0 2 4 4 2 1 0 0 1 0 7 18 15 11 5 2 1 1 1 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 3 9 9 7 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 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 0 0 2 2 2 1 1 0 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 0 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 4: Section 4->6 6 17 19 16 11 6 2 1 0 2 8 24 29 27 18 6 3 1 1 3 14 21 21 14 6 3 1 14 36 39 37 26 16 8 3 1 5 18 45 70 65 46 21 8 2 1 6 26 47 48 38 18 7 1 13 33 35 40 34 25 10 4 1 5 19 44 79 88 74 31 12 2 1 7 26 54 67 61 27 11 2 8 24 27 37 37 30 14 6 2 4 15 37 76100 92 44 19 4 1 6 23 52 77 78 40 18 4 4 13 18 29 33 30 15 8 2 2 9 26 62 92 93 51 25 6 1 4 16 43 73 81 48 23 5 2 7 10 18 26 27 16 9 2 1 5 14 40 73 84 54 29 7 1 3 10 29 59 73 49 28 7 1 3 5 11 18 20 12 8 3 1 3 7 25 49 63 43 26 8 0 2 5 18 39 55 41 26 8 0 1 2 6 11 13 9 6 2 0 1 4 13 32 43 31 21 7 0 1 3 10 24 38 31 22 7 0 1 1 2 4 5 4 2 1 0 1 1 5 11 15 14 8 3 0 0 1 3 8 13 13 9 3 !Region 4: Section 7->9 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 7 4 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 9 11 6 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 3 6 12 16 10 5 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 12 18 12 6 2 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 1 2 4 10 15 12 8 3 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 1 3 7 12 11 9 3 0 0 0 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 4 8 9 8 3 0 0 0 0 1 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.23 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.263 Region 5 Sum = 4617.43; Maximum = 62.2581; FM = 0.534 !Region 5: Section 1->3 0 0 1 1 1 0 0 1 0 1 3 2 1 1 0 0 0 0 7 22 14 5 3 1 0 -1 0 1 1 2 1 2 2 1 1 0 3 6 5 1 2 2 0 1 0 22 48 35 15 7 2 1 1 0 1 2 0 0 0 2 1 1 1 3 8 5 1 0 2 1 1 1 27 55 43 21 7 4 3 2 1 1 2 0 -2 -1 -1 1 1 1 4 7 5 0 0 0 1 0 1 24 48 42 22 9 6 4 1 1 1 1 0 -1 0 -1 -1 0 0 3 4 4 1 1 -2 -1 1 0 15 34 35 21 10 5 4 2 0 1 1 1 -1 1 0 -1 1 0 2 3 2 0 1 0 0 1 0 9 19 19 14 8 4 3 3 1 1 -1 1 0 1 0 1 1 1 1 0 2 1 1 0 1 0 0 5 11 11 10 5 2 2 1 0 2 0 1 1 0 0 1 0 1 1 0 1 1 0 -1 0 0 0 2 5 6 5 3 0 0 1 1 1 -1 -1 0 0 0 0 1 1 0 -1 0 0 0 0 -1 0 0 1 1 2 1 0 0 0 0 0 !Region 5: Section 4->6 12 41 28 14 9 4 1 -1 0 6 23 18 14 13 10 4 2 1 0 2 4 7 15 18 10 6 2 42 88 67 36 18 8 3 0 0 24 51 42 32 31 24 15 6 2 3 8 9 18 40 45 36 17 5 52100 82 46 23 11 7 2 1 30 59 53 39 41 34 25 11 3 5 12 15 22 53 66 60 26 8 44 88 84 50 27 19 10 3 1 25 52 58 45 47 47 34 18 6 4 11 19 31 65 87 76 43 13 26 62 67 46 26 17 10 4 1 14 37 43 40 45 47 34 22 7 3 8 15 28 63 87 73 56 19 14 35 39 32 19 15 8 5 2 7 22 28 28 32 40 33 22 7 2 7 12 20 45 69 74 58 20 7 19 23 20 12 10 6 3 1 4 12 16 17 20 28 26 18 7 1 3 6 14 28 49 58 48 19 4 9 11 10 8 7 3 1 1 2 4 7 8 11 17 16 13 5 -1 0 2 6 14 25 34 35 14 1 3 4 2 2 2 0 0 0 1 1 2 1 3 6 6 5 1 0 0 0 0 5 9 13 13 2 !Region 5: Section 7->9 0 0 0 2 7 12 8 5 2 0 0 -1 0 1 1 0 0 0 0 0 -1 0 1 -1 -2 -1 0 0 1 1 7 21 28 25 13 4 0 0 0 1 3 2 1 1 0 0 0 0 1 3 0 -2 -1 0 0 3 4 8 28 41 43 19 5 0 1 1 1 1 2 3 2 0 0 0 1 1 -1 -1 -3 -1 0 1 3 7 14 35 55 53 32 9 0 0 2 2 2 5 5 4 1 0 -1 1 2 1 0 -2 -2 0 1 2 6 13 33 53 50 43 14 0 0 2 2 2 4 5 6 2 -1 0 1 2 1 0 -1 -1 0 1 2 5 9 23 41 51 45 16 1 1 1 1 1 2 5 7 3 0 1 2 1 1 -1 -1 0 0 0 0 2 7 15 29 39 36 15 0 0 1 1 1 2 4 5 3 0 0 0 0 0 -1 -1 1 0 -1 -1 1 3 8 14 21 24 10 0 1 1 1 1 1 1 2 1 1 2 0 1 1 0 -1 -1 0 0 0 0 0 3 5 8 9 2 0 0 0 0 0 1 0 1 0 0 1 0 0 1 1 0 0 0 I/Sigma = 29.88 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 4288.76; Maximum = 67.5779; FM = 0.635 !Region 6: Section 1->3 0 -1 -1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 1 0 0 1 0 1 -1 -1 -1 0 0 0 0 0 1 1 0 0 0 0 0 1 0 3 7 6 5 2 0 0 2 0 0 0 0 -1 -1 1 0 0 0 1 1 0 0 -1 0 0 0 0 4 10 7 4 2 0 0 -1 0 0 0 0 0 -1 0 1 0 0 1 1 1 0 0 0 1 0 0 4 10 8 4 2 0 1 0 0 0 0 0 0 1 1 0 -1 0 1 0 0 0 1 1 1 0 -1 4 7 6 3 2 1 1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 0 1 0 3 5 4 3 1 1 1 1 -1 0 -1 1 0 0 0 0 -1 0 0 0 1 1 0 1 0 0 0 1 2 3 3 2 1 1 0 0 0 1 1 0 0 0 0 0 1 0 1 2 0 0 0 1 0 1 1 2 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 !Region 6: Section 4->6 6 11 9 13 12 7 4 2 1 9 16 16 26 21 15 10 4 2 3 6 8 14 11 9 8 5 2 13 34 38 31 22 16 10 7 1 19 51 62 51 44 35 24 16 4 8 22 28 26 25 22 19 16 5 20 51 50 39 31 21 13 5 1 28 73 83 71 60 45 29 15 4 11 30 39 35 34 30 25 17 6 23 56 58 46 36 23 14 7 3 33 84 96 86 71 51 34 19 8 13 35 44 43 42 36 31 22 8 22 54 57 43 31 23 16 8 3 33 87100 85 68 51 37 21 9 14 38 46 43 43 34 31 23 9 18 41 46 41 26 19 14 6 1 27 65 79 76 55 41 32 18 6 12 28 36 37 32 27 25 21 7 10 23 30 28 21 16 12 5 1 16 40 53 51 39 32 26 13 4 7 18 24 25 23 18 18 15 5 5 15 16 16 13 11 8 4 2 8 24 29 28 25 24 18 10 3 4 12 14 14 15 14 15 10 4 1 4 7 5 4 3 2 2 1 2 7 14 9 7 8 6 4 1 1 4 7 4 5 4 7 4 1 !Region 6: Section 7->9 0 0 0 1 1 3 4 3 1 0 0 -1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 1 1 2 5 6 8 10 4 1 0 0 1 2 2 2 3 1 0 0 0 0 1 0 0 0 0 1 1 2 2 6 9 12 12 4 0 0 1 1 3 3 4 4 2 0 0 0 1 1 1 0 0 0 0 1 2 3 7 10 16 15 5 0 1 1 1 2 3 5 6 3 0 1 0 1 1 1 0 1 1 1 1 2 3 8 8 14 15 6 1 1 1 1 2 2 4 6 3 0 0 0 0 1 0 0 1 1 1 1 2 2 5 7 10 14 5 0 1 1 2 1 2 4 6 2 0 1 0 1 0 0 1 1 0 0 1 1 1 5 4 7 10 4 0 0 0 0 2 1 3 4 2 0 0 0 0 1 0 0 1 1 1 1 0 1 3 3 6 6 3 1 0 0 0 2 1 2 1 1 0 0 0 0 1 0 0 -1 0 0 0 0 0 1 0 4 2 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 28.35 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.513 Region 7 Sum = 4013.19; Maximum = 53.8797; FM = 0.568 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 3 6 5 4 2 2 1 1 0 0 0 1 0 0 -1 0 1 0 2 3 5 2 0 0 0 1 -1 7 15 15 7 3 4 2 1 0 0 0 1 1 0 -1 0 0 0 2 5 6 3 0 -1 0 0 0 11 23 20 10 4 2 2 2 1 1 1 1 1 0 0 0 1 0 4 8 7 3 1 1 1 1 1 14 32 25 14 7 3 1 1 1 0 0 1 0 0 -1 0 0 0 4 9 7 3 1 0 1 0 -1 17 36 30 16 7 4 4 1 0 0 0 1 0 0 0 0 -1 0 4 8 7 2 1 1 1 0 1 20 35 28 12 5 3 4 2 1 -1 -1 0 0 0 0 0 0 0 2 5 4 2 0 1 0 0 0 16 26 20 9 2 3 2 3 1 0 0 1 0 1 0 1 0 0 1 2 3 1 1 0 0 0 0 8 14 12 7 3 1 1 1 1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 3 4 3 2 1 0 0 1 0 !Region 7: Section 4->6 3 7 9 9 4 5 3 1 1 2 4 8 10 8 16 13 13 2 1 1 4 7 10 30 26 31 4 8 21 23 17 11 12 8 3 1 5 15 20 21 25 39 41 28 9 2 7 9 14 35 68 80 63 23 15 35 35 26 16 13 9 4 1 9 26 31 34 40 49 51 33 13 3 11 14 26 58 85100 76 31 22 50 47 34 22 14 7 4 1 14 36 43 43 49 53 45 33 13 4 13 18 33 67 92 91 74 32 28 57 52 38 24 14 8 3 0 20 40 43 45 51 47 39 27 9 7 14 18 36 67 81 80 60 22 33 56 48 30 18 12 7 3 0 22 39 40 38 40 41 31 18 7 7 13 16 29 53 71 64 44 17 27 45 38 21 12 9 5 3 1 19 34 32 25 26 27 23 14 6 5 11 12 18 35 45 44 32 16 16 30 25 17 8 4 4 2 0 11 25 23 20 17 16 15 9 3 3 7 9 13 22 26 28 20 8 5 7 8 6 3 1 2 1 0 2 4 8 8 5 4 6 2 1 0 1 3 5 7 6 10 5 3 !Region 7: Section 7->9 0 0 1 2 5 15 15 18 2 0 0 0 0 0 1 1 1 0 0 0 -1 0 0 0 0 0 0 1 2 3 5 17 34 43 37 13 0 1 0 1 1 1 3 3 1 0 1 -1 0 1 1 2 0 0 1 3 4 10 27 43 53 44 18 0 1 0 1 0 1 3 5 2 0 1 -1 0 0 0 1 2 1 1 2 4 13 32 47 49 42 18 0 0 0 0 1 2 2 3 1 0 0 0 0 0 0 0 1 0 1 3 4 15 33 42 44 36 13 0 0 1 2 3 2 3 4 2 0 0 0 1 1 1 1 0 0 1 3 4 12 25 36 35 27 11 1 1 1 1 2 2 3 4 2 1 1 1 0 1 1 1 1 0 0 2 3 6 17 23 23 18 9 0 0 1 0 1 1 1 2 0 0 -1 0 0 1 1 1 1 0 0 0 2 5 11 13 14 11 5 -1 0 0 0 1 0 1 1 0 -1 0 0 -1 0 0 0 0 0 0 0 1 1 4 3 5 3 2 0 0 1 0 0 1 0 0 0 0 0 1 0 0 1 -1 0 0 I/Sigma = 42.92 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.201 Region 8 Sum = 9753.92; Maximum = 138.614; FM = 0.744 !Region 8: Section 1->3 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 1 0 1 3 4 4 3 2 1 1 0 0 1 1 0 1 0 0 1 0 1 2 2 1 1 0 1 1 1 2 6 7 5 3 2 1 1 0 0 0 0 0 0 0 1 1 0 0 2 2 1 1 1 1 1 0 2 9 10 7 4 3 2 1 0 0 0 0 0 0 0 1 1 0 1 3 2 1 1 1 1 1 0 4 11 13 8 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 1 1 0 5 14 15 9 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 0 0 6 14 14 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 6 13 11 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 3 6 5 2 1 1 0 0 0 !Region 8: Section 4->6 0 2 9 14 14 10 4 3 1 0 3 15 28 34 29 15 9 3 0 2 7 15 25 29 20 11 3 2 9 25 36 33 20 12 4 1 2 13 40 69 76 59 39 17 4 1 6 19 39 56 59 46 26 7 4 17 35 47 40 25 12 4 1 4 23 56 91 91 69 40 18 4 2 10 26 53 66 66 47 28 7 7 26 48 53 44 28 12 4 1 8 33 74100 95 72 39 16 4 3 13 34 57 66 64 44 25 6 10 33 56 55 40 25 13 4 1 11 41 82100 84 61 37 15 3 4 16 37 55 57 51 39 21 5 12 36 54 50 35 21 10 4 1 12 41 74 85 71 51 28 13 3 5 16 32 45 47 42 28 16 3 12 34 46 39 28 17 8 3 1 11 36 58 62 52 39 20 10 2 4 13 24 33 33 30 19 11 2 11 29 36 29 21 12 5 2 1 10 27 43 44 38 27 14 6 2 3 9 17 23 23 20 13 7 2 4 11 15 9 9 4 2 1 0 3 9 19 14 17 7 5 3 0 1 3 7 7 9 5 5 3 0 !Region 8: Section 7->9 0 0 1 2 7 12 11 7 2 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 7 16 25 24 17 5 0 0 0 0 2 4 5 4 2 0 0 0 0 0 1 0 0 0 0 2 3 10 18 26 23 19 5 0 1 0 1 2 4 4 5 2 0 1 0 0 0 0 0 1 0 0 2 4 10 17 23 21 17 4 0 1 1 1 2 3 4 5 1 0 1 0 0 0 0 0 1 0 1 2 5 9 14 17 18 14 4 0 0 1 0 1 2 4 4 2 0 0 0 0 0 1 0 0 0 1 2 3 8 11 12 13 9 2 1 1 0 1 1 1 3 3 1 0 0 0 1 0 0 0 0 1 0 1 3 6 7 8 7 6 2 0 1 0 1 1 1 1 3 1 0 1 0 1 0 0 0 1 1 0 0 2 4 5 5 5 3 2 0 0 0 0 1 0 1 2 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 173.48 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.079 Region 9 Sum = 110682; Maximum = 2164.17; FM = 0.814 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 12 15 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 4 15 23 19 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 4 13 23 25 13 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 1 3 8 15 22 15 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 2 4 9 13 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 5 6 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 9: Section 4->6 1 6 15 16 8 3 1 0 0 1 8 20 21 14 8 4 1 0 1 5 13 12 11 9 4 1 0 3 14 40 49 33 12 3 1 0 5 21 51 65 52 26 10 3 0 4 16 30 40 39 25 11 4 1 3 16 51 73 58 25 7 2 0 8 30 70 93 80 42 16 5 1 8 27 47 55 54 35 17 6 1 3 14 44 71 76 41 13 3 0 7 28 68 97100 60 25 8 1 7 26 53 67 65 43 22 9 2 2 8 25 46 64 44 17 4 1 3 15 45 73 88 62 31 11 2 3 14 41 59 60 44 27 11 3 1 4 11 24 36 28 14 5 1 1 6 21 40 53 42 26 11 2 1 5 19 34 41 34 25 11 3 1 2 5 11 15 12 8 4 1 1 2 8 17 24 22 17 8 2 0 2 6 14 21 21 17 9 2 0 1 2 4 5 5 4 2 0 0 1 3 5 8 10 9 5 1 0 1 2 4 7 10 10 5 1 0 0 1 1 2 1 1 1 0 0 0 1 1 2 2 3 2 0 0 0 0 1 1 2 3 2 0 !Region 9: Section 7->9 0 1 4 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 11 12 9 5 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 9 14 15 15 12 7 3 1 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 2 8 16 19 19 14 9 4 1 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 13 18 18 14 11 5 2 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 2 6 10 13 11 9 5 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 7 6 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (207 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 207 0 207 12.9301 0.8903 6.836 119.982 Orientation ('UB') matrix: 0.1439677 0.0358438 -0.0040502 0.0303694 -0.0025516 0.0771054 0.0658854 -0.0771471 -0.0044320 A B C Alpha Beta Gamma Vol 6.2463 11.7501 13.0205 90.000 96.755 90.000 949.00 0.0006 0.0006 0.0011 0.000 0.005 0.000 0.19 Corrected for goodness of fit: 0.0014 0.0013 0.0027 0.000 0.013 0.000 0.46 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.173 96.091 24.268 Goniometer zeros (deg): 0.0000* 0.0004 0.0000* 0.0015 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1377 -0.3697 0.0734 -0.1939 -0.1901 0.7914 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 9.90953e+03 3.44043e+03 2.44 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 180 Average input ESD (pix, pix, deg): 0.15928 0.12470 0.04748 Goodness of fit: 2.83291 2.06548 2.23118 Average missing volume: 0.047 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:51 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.60% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 2_0003 7 0.20 -0.16 0.31 0.37 0.24 0.94 12521 28 0 0.64 25 0.78 0.78 2.27 1.000 3_0004 12 -0.02 -0.04 0.04 0.10 0.09 0.08 59077 72 0 0.68 27 0.78 0.78 2.27 1.000 4_0005 7 0.03 -0.05 0.09 0.08 0.06 0.22 40703 53 0 0.69 29 0.78 0.78 2.27 1.000 5_0006 7 -0.19 -0.07 0.19 0.50 0.10 0.35 45756 49 0 0.59 26 0.78 0.78 2.27 1.000 6_0007 4 0.05 -0.01 0.02 0.07 0.03 0.06 32149 45 0 0.68 27 0.78 0.78 2.27 1.000 7_0008 15 -0.00 -0.02 -0.06 0.18 0.07 0.29 50551 62 7 0.74 28 0.78 0.78 2.27 1.000 8_0009 5 0.11 -0.02 0.01 0.12 0.16 0.09 35082 43 0 0.62 29 0.78 0.78 2.27 1.000 9_0010 7 -0.10 -0.01 0.06 0.15 0.08 0.09 31647 42 0 0.73 27 0.78 0.78 2.27 1.000 10_0011 11 0.14 -0.02 -0.06 0.30 0.08 0.17 28361 41 0 0.75 26 0.78 0.78 2.27 1.000 11_0012 11 0.00 -0.05 0.14 0.06 0.06 0.30 62582 68 0 0.68 28 0.78 0.78 2.27 1.000 12_0013 12 0.06 -0.04 -0.04 0.25 0.11 0.12 53850 58 0 0.73 27 0.78 0.78 2.27 1.000 13_0014 8 -0.00 -0.05 0.13 0.14 0.10 0.32 38401 46 0 0.85 30 0.78 0.78 2.27 1.000 14_0015 5 0.01 -0.06 0.06 0.11 0.07 0.09 86292 93 0 0.53 27 0.78 0.78 2.27 1.000 15_0016 7 0.11 -0.13 -0.04 0.25 0.20 0.08 17151 32 0 0.57 28 0.78 0.78 2.27 1.000 16_0017 7 -0.00 -0.02 -0.03 0.06 0.04 0.07 66374 71 0 0.80 30 0.78 0.78 2.27 1.000 17_0018 6 0.38 -0.01 -0.05 0.69 0.20 0.15 10048 30 0 0.61 32 0.78 0.78 2.27 1.000 18_0019 21 0.01 -0.04 -0.01 0.18 0.14 0.12 37093 43 5 0.70 27 0.78 0.78 2.27 1.000 19_0020 5 0.06 -0.04 -0.21 0.16 0.05 0.39 60282 70 0 0.75 24 0.78 0.78 2.27 1.000 Background pixels updated = 92.90% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.13 -0.01 -0.02 0.24 0.26 0.12 62631 70 0 0.72 29 0.78 0.78 2.27 1.000 21_0022 8 0.02 -0.02 -0.03 0.18 0.03 0.08 31315 48 13 0.74 29 0.78 0.78 2.27 1.000 22_0023 4 -0.15 -0.07 0.19 0.29 0.13 0.39 10202 23 0 0.69 25 0.78 0.78 2.27 1.000 23_0024 8 0.09 -0.05 -0.03 0.12 0.08 0.10 16825 30 0 0.65 28 0.78 0.78 2.27 1.000 24_0025 8 -0.04 -0.07 0.00 0.10 0.08 0.07 14214 29 0 0.66 27 0.78 0.78 2.27 1.000 25_0026 15 0.01 -0.07 -0.05 0.11 0.11 0.16 46165 59 0 0.72 27 0.78 0.78 2.27 1.000 26_0027 12 0.06 -0.17 -0.05 0.28 0.24 0.13 31585 57 0 0.72 33 0.78 0.78 2.27 1.000 I/Sigma = 56.80 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.041 Region 1 Sum = 16123.6; Maximum = 187.719; FM = 0.698 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 5 9 11 9 5 2 1 0 0 0 1 0 0 0 0 0 0 0 3 6 4 2 1 1 0 0 0 12 34 33 23 13 5 2 1 0 0 1 0 0 0 0 0 0 0 3 7 5 3 1 1 1 1 0 14 39 42 30 16 7 3 1 1 0 1 1 0 0 0 0 0 0 4 7 6 4 1 1 1 1 0 16 44 46 35 18 7 3 1 0 0 0 0 0 0 0 0 0 0 3 7 5 3 1 1 1 0 0 13 37 42 33 20 9 3 2 1 0 0 0 0 0 0 0 0 0 2 5 4 3 1 1 1 1 0 11 31 35 28 16 7 3 1 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 6 19 23 18 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 4 12 15 13 9 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 5 2 1 1 0 0 !Region 1: Section 4->6 7 16 25 25 18 9 4 2 0 3 11 21 27 26 18 9 4 1 1 2 6 11 15 14 8 5 2 15 60 71 60 39 20 8 4 1 6 35 51 55 48 34 21 12 3 1 5 11 19 27 32 29 22 5 19 70 92 79 54 30 13 5 1 9 44 71 78 70 52 31 16 4 2 8 18 28 38 46 40 28 7 21 81100 88 58 31 15 6 1 10 51 77 86 80 62 39 20 4 2 9 20 34 50 59 49 34 9 17 66 93 86 62 34 15 6 1 9 42 71 81 76 58 37 20 5 2 8 17 30 44 54 49 37 10 17 60 84 79 58 34 15 6 1 9 40 69 82 80 67 40 23 6 2 8 19 31 47 62 54 43 14 9 38 52 47 35 21 11 5 1 4 24 38 44 46 41 30 20 5 1 4 9 17 30 42 43 38 13 6 22 34 35 29 19 10 5 1 3 15 26 34 37 33 24 16 4 1 3 7 12 20 30 34 31 12 1 8 13 15 7 5 3 1 0 1 5 10 14 11 11 9 7 3 0 1 2 5 8 11 12 14 9 !Region 1: Section 7->9 0 0 1 2 5 7 5 4 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 9 16 18 15 4 0 0 0 1 2 3 3 3 1 0 0 0 0 1 1 0 0 0 0 1 2 5 12 24 26 21 6 0 0 1 1 3 5 6 5 1 0 0 0 0 1 0 0 0 0 0 1 3 7 16 28 30 24 7 0 0 0 1 2 5 7 5 2 0 0 0 0 0 0 1 0 0 0 1 3 6 14 26 31 28 8 0 0 1 1 2 5 6 6 2 0 0 0 0 0 0 0 0 0 0 1 3 6 15 31 36 34 14 0 0 1 1 3 6 8 9 5 0 0 0 0 0 0 1 1 0 0 1 2 4 11 22 28 30 14 0 0 1 1 2 4 6 8 5 0 0 0 0 0 0 0 1 0 0 1 1 3 6 16 24 27 15 0 1 1 1 1 4 7 8 6 0 0 0 0 0 0 1 1 1 0 0 1 1 3 5 7 11 10 0 0 0 1 1 1 2 2 4 0 0 0 0 0 0 0 0 0 I/Sigma = 183.41 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.090 Region 2 Sum = 158097; Maximum = 2339.38; FM = 0.927 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 11 13 7 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 3 1 0 0 1 3 11 24 28 17 6 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 5 2 1 0 1 4 16 34 39 26 10 2 0 0 0 0 0 0 0 0 0 0 0 1 3 5 8 7 3 1 0 1 5 18 38 50 40 17 3 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 2 0 0 1 4 14 28 39 37 17 3 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 0 0 1 3 12 26 34 27 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 2 6 17 23 15 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 8 11 7 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 2 1 0 0 !Region 2: Section 4->6 0 1 7 20 23 13 4 1 0 0 1 4 14 20 12 4 1 0 0 0 1 6 11 8 3 1 0 1 4 16 44 54 31 10 2 0 0 2 12 36 49 28 10 3 0 0 1 6 21 30 20 9 3 1 1 7 30 69 83 53 20 5 1 1 5 27 70 86 54 21 5 1 0 3 17 45 58 39 16 5 1 1 10 38 79100 76 31 6 1 1 10 40 81 99 75 30 6 1 0 6 27 55 65 50 23 7 1 1 10 35 67 90 81 37 6 1 1 13 44 79100 82 37 8 1 1 10 33 59 71 56 28 9 2 1 8 30 63 81 63 24 4 1 1 9 36 70 89 70 30 7 1 1 7 25 50 66 55 29 10 2 0 3 14 39 54 37 13 3 0 0 4 17 44 61 44 19 6 1 0 3 13 32 46 40 24 11 3 0 1 6 20 31 20 8 2 0 0 2 7 23 37 26 12 4 1 0 2 6 17 28 26 17 9 3 0 0 2 6 9 5 2 1 0 0 0 2 7 12 7 4 2 0 0 0 2 7 11 10 8 5 1 !Region 2: Section 7->9 0 0 1 2 4 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 11 9 5 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 7 17 23 17 9 3 1 0 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 3 11 23 27 21 12 5 1 0 1 3 5 5 4 3 2 0 0 0 0 0 0 0 0 0 0 0 4 15 27 31 26 16 7 2 0 1 4 6 7 6 4 3 1 0 0 0 0 0 1 1 0 0 0 3 11 23 31 28 17 8 2 0 1 3 6 7 7 5 3 1 0 0 0 0 0 1 1 0 0 0 2 7 16 23 24 17 10 3 0 1 2 5 6 7 5 3 1 0 0 0 0 0 1 1 0 0 0 1 4 9 15 18 16 9 3 0 1 2 3 5 6 6 4 1 0 0 0 0 0 1 1 0 0 0 1 2 5 6 8 7 4 1 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 107.72 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.079 Region 3 Sum = 51573.6; Maximum = 972.429; FM = 0.893 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 2 4 6 7 9 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 1 0 1 3 7 11 16 16 11 4 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 1 0 1 3 7 13 19 20 13 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 1 2 7 13 20 19 12 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 5 11 17 17 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 8 13 11 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 7 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 3: Section 4->6 1 3 7 11 14 17 9 3 0 0 2 4 8 13 16 10 3 0 0 0 1 3 6 7 7 2 0 1 5 13 27 38 37 22 8 1 1 3 11 26 43 39 22 8 1 0 1 4 11 21 21 12 5 1 1 5 17 37 54 51 27 9 1 1 4 16 44 70 61 28 10 1 0 2 7 22 41 35 16 6 1 1 5 19 45 65 56 29 8 1 1 6 24 65 96 78 33 10 1 0 3 12 40 62 50 20 6 1 1 4 18 42 61 54 25 7 1 1 6 28 73100 83 34 8 1 1 4 18 53 73 59 23 6 1 1 3 14 35 51 42 16 4 0 1 6 27 68 92 72 28 6 1 1 5 22 57 73 56 23 5 1 1 3 10 24 35 25 9 2 0 1 6 21 53 73 51 18 4 1 1 6 21 49 63 45 17 4 1 0 2 6 14 19 13 4 1 0 1 5 15 34 48 32 11 3 0 1 6 17 35 47 33 12 3 1 0 1 2 4 5 3 1 0 0 0 2 6 13 13 10 3 1 0 0 2 8 15 15 12 4 1 0 !Region 3: Section 7->9 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 8 8 4 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 15 12 5 2 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 15 20 16 7 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 8 19 22 17 8 2 1 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 10 18 21 15 7 2 1 0 1 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 4 10 15 18 13 6 2 1 0 1 2 3 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 5 7 7 6 2 1 0 0 1 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 47.68 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.344 Region 4 Sum = 10215.2; Maximum = 146.04; FM = 0.761 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 4 5 2 1 0 1 0 0 3 17 17 9 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 10 10 5 1 1 1 0 0 8 39 37 21 7 3 1 1 0 0 0 0 0 0 0 0 0 0 2 9 8 5 2 1 0 0 0 8 38 35 23 9 4 2 1 0 0 0 0 0 0 0 0 0 0 1 7 7 4 2 1 0 0 0 6 30 31 21 9 3 2 1 1 0 0 0 0 0 0 0 0 0 1 4 5 3 1 0 0 1 0 3 19 22 16 8 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 0 1 10 13 11 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 6 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 !Region 4: Section 4->6 3 20 19 14 7 4 2 1 0 1 8 12 19 16 10 5 2 0 0 2 7 14 14 10 5 2 1 9 42 45 34 17 9 4 2 0 3 17 32 51 38 25 13 6 1 1 4 19 41 35 26 15 7 1 9 44 49 44 25 15 7 3 1 4 18 39 70 58 43 23 9 2 1 5 23 56 53 43 27 11 2 7 38 46 45 32 22 10 5 1 4 18 41 81 83 70 37 14 2 1 5 26 67 76 69 41 17 3 4 26 35 38 34 26 13 6 1 3 14 34 75 94 89 51 22 4 1 5 22 63 88 92 58 28 5 2 15 22 30 32 26 14 7 1 1 9 25 64 92 95 59 29 6 1 4 17 55 87100 71 37 8 1 7 11 18 24 24 14 8 2 1 5 14 40 73 88 60 34 7 1 3 11 36 71 93 71 43 10 0 3 5 10 15 18 12 6 1 1 3 8 25 51 68 51 30 6 1 3 6 22 49 70 60 39 9 0 1 1 3 6 7 5 2 0 0 1 2 7 20 24 22 10 2 0 1 2 6 19 24 27 15 3 !Region 4: Section 7->9 0 1 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 8 7 6 3 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 11 12 12 10 5 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 14 17 18 15 7 1 0 0 0 1 1 1 2 1 0 0 0 0 0 1 0 0 0 0 0 1 5 14 20 26 21 12 3 0 1 1 0 1 2 2 1 1 0 0 0 0 1 0 0 0 0 0 1 4 12 20 29 26 15 4 0 0 0 1 1 2 3 2 1 0 0 0 1 1 0 0 0 0 0 1 3 8 17 27 26 18 5 0 0 0 1 1 2 3 2 1 0 0 0 0 1 0 0 0 0 0 1 2 5 12 19 21 17 5 0 0 0 1 1 1 2 2 1 0 0 0 0 1 0 0 0 0 0 0 0 2 4 6 11 8 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 28.06 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 5 Sum = 4097.08; Maximum = 63.8177; FM = 0.62 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 5 8 5 3 2 0 0 0 0 0 1 1 0 1 0 0 0 0 2 3 2 1 1 0 0 0 3 22 27 18 9 4 2 1 0 0 -1 0 1 0 0 1 0 0 0 2 4 2 0 1 1 1 0 6 34 38 26 13 5 3 1 0 0 0 1 1 -1 0 0 1 0 1 3 5 2 0 0 1 1 0 6 36 43 31 17 7 3 2 0 0 1 1 1 -1 0 -1 -1 0 1 3 4 2 0 0 -1 -1 0 5 29 32 27 20 9 4 2 0 0 1 0 0 0 0 0 -1 0 1 3 1 1 0 0 -1 -1 0 3 20 22 20 16 9 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 -1 0 0 0 0 0 1 10 12 9 9 6 3 1 0 0 0 -1 1 1 0 1 0 0 0 1 0 1 1 0 2 1 0 1 5 6 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 !Region 5: Section 4->6 1 12 21 14 8 5 2 1 0 1 9 15 12 7 7 4 2 0 0 1 3 4 5 9 8 4 0 7 53 66 44 28 13 6 2 0 4 39 50 34 29 22 13 5 0 1 7 10 8 14 25 25 13 1 12 82 90 64 39 19 8 2 0 7 60 66 50 39 32 19 8 1 1 11 13 14 20 37 33 20 2 12 86100 76 48 25 12 5 1 8 62 73 61 48 42 28 14 2 1 12 16 20 26 47 47 33 4 9 67 80 72 52 30 16 7 1 5 46 61 61 49 47 39 21 3 1 9 15 21 28 54 63 46 6 6 42 53 52 43 29 16 7 0 3 27 39 43 41 43 38 22 2 1 5 9 16 24 49 62 49 7 2 20 28 28 25 21 15 5 0 1 13 22 26 26 31 33 20 2 1 3 6 11 18 34 51 47 7 1 9 14 13 12 12 9 3 0 1 6 10 13 14 17 21 12 1 0 1 2 6 11 19 32 28 3 0 2 4 4 4 5 4 0 0 0 2 2 4 4 6 7 2 0 0 1 0 2 3 5 8 3 0 !Region 5: Section 7->9 0 0 1 2 3 5 5 3 0 0 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 5 14 18 12 1 0 0 0 0 2 1 2 2 0 0 0 0 1 0 0 -1 -2 0 0 0 1 2 7 19 23 17 2 0 0 1 0 1 1 2 3 1 0 0 1 1 2 0 -1 -1 0 0 2 3 5 9 26 32 29 4 0 1 1 2 1 1 3 6 1 0 0 0 2 2 -1 -2 -1 0 1 3 4 7 13 30 42 39 5 0 1 1 3 2 3 5 8 1 0 0 0 2 1 1 0 0 0 0 2 2 6 10 27 41 40 6 0 1 1 2 2 2 4 8 1 0 0 0 1 1 1 -1 0 0 0 2 1 4 8 18 33 38 6 0 1 1 1 1 1 2 7 2 0 1 1 1 1 0 -2 0 0 0 -1 -1 3 6 11 21 22 3 0 0 0 1 1 1 2 3 1 0 1 1 1 1 0 0 -1 0 0 0 0 1 2 3 5 2 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 I/Sigma = 29.44 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 4156.11; Maximum = 70.0149; FM = 0.767 !Region 6: Section 1->3 0 0 0 0 1 -1 0 0 0 0 1 0 0 0 0 0 0 0 0 2 2 2 2 1 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 5 6 6 6 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 7 9 6 4 2 0 0 0 0 0 0 0 -1 -1 0 0 0 0 1 1 0 0 -1 0 0 0 0 6 10 7 5 2 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 0 1 7 9 5 3 1 1 1 0 0 0 -1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 6 6 4 2 1 1 1 0 0 -1 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 3 3 5 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 1 1 0 0 2 2 3 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 !Region 6: Section 4->6 0 5 14 18 11 5 3 3 1 0 6 22 31 18 11 7 7 1 0 2 10 14 9 7 5 5 1 1 15 29 36 26 19 13 9 1 1 18 44 58 43 39 30 21 3 0 8 19 27 21 22 20 16 2 2 23 44 46 33 27 19 11 1 2 30 67 79 60 54 41 26 3 1 13 29 37 30 31 27 19 2 2 29 51 55 43 34 21 13 1 3 41 79 94 79 68 47 30 3 1 17 33 43 38 40 33 26 3 3 31 54 56 42 31 23 16 2 4 45 87100 81 67 50 35 4 2 19 38 46 42 42 35 29 3 2 26 43 47 41 26 19 14 2 3 37 70 85 78 57 42 32 4 1 16 31 39 38 34 29 26 3 1 16 27 35 31 21 16 12 1 2 24 46 61 56 41 33 25 3 1 11 21 28 27 24 20 17 2 1 8 16 19 20 14 13 8 1 1 13 29 35 33 27 26 18 2 1 7 13 17 16 17 15 14 1 0 3 5 4 4 6 6 4 0 0 5 9 7 8 12 13 9 1 0 3 4 3 4 7 8 7 1 !Region 6: Section 7->9 0 0 1 0 1 1 2 1 0 0 0 0 -1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 2 4 7 6 1 0 2 0 0 1 2 2 1 0 0 1 0 0 1 1 0 0 0 0 2 1 2 3 6 8 8 1 0 1 0 1 1 3 3 3 0 0 0 0 0 1 1 1 0 0 0 1 0 2 2 7 11 13 2 0 0 0 1 1 2 3 4 1 0 0 0 0 1 1 1 0 0 0 1 1 1 4 8 11 13 1 0 1 1 1 1 2 3 4 1 0 0 0 0 0 1 0 0 0 0 1 2 1 2 6 8 10 2 0 1 2 1 2 1 2 3 1 0 0 1 0 1 0 0 1 0 0 0 2 1 2 5 5 6 1 0 0 1 1 1 2 2 2 0 0 0 0 0 0 1 0 1 0 0 1 0 0 1 4 3 5 1 0 0 -1 0 1 2 1 2 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 2 1 2 0 0 1 0 0 0 1 0 1 0 0 1 0 0 0 0 0 1 0 I/Sigma = 28.30 Thresh = 0.020 Blend = F #Contributing = 6 InitialProfileWt = 0.449 Region 7 Sum = 3977.5; Maximum = 60.4041; FM = 0.51 !Region 7: Section 1->3 0 0 0 0 0 -1 0 0 0 0 1 1 1 0 0 0 0 0 0 4 4 5 4 3 1 1 0 0 0 0 1 0 -1 0 0 0 0 2 4 3 2 0 1 1 0 2 12 18 15 8 5 5 2 0 0 0 0 1 1 0 0 1 0 0 5 6 5 2 1 1 1 0 3 21 27 22 11 6 4 2 0 0 2 2 2 2 0 0 0 0 1 8 9 7 4 1 1 1 0 4 32 39 29 17 8 3 1 0 0 1 0 1 0 1 -1 0 0 1 8 9 6 3 2 0 1 0 5 35 45 33 19 9 5 3 0 0 0 0 0 1 1 0 1 0 1 7 8 7 3 2 1 1 0 6 40 44 31 15 7 4 4 1 0 -1 -1 0 0 0 0 1 0 1 6 5 4 1 1 1 1 0 5 34 32 23 9 4 3 3 1 0 0 0 1 1 1 0 1 0 1 4 3 3 2 2 1 1 0 2 16 20 15 8 3 2 1 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 1 5 4 3 1 0 0 0 !Region 7: Section 4->6 0 4 6 6 7 4 3 1 0 0 1 2 3 6 9 10 2 0 0 0 0 2 5 16 22 3 0 2 15 22 18 13 9 7 4 0 1 6 9 9 12 24 35 27 4 0 2 3 6 15 47 75 62 10 3 27 34 29 18 12 7 3 0 1 12 16 16 22 37 45 42 9 0 4 7 10 31 71 98 99 23 5 43 53 41 28 15 7 2 0 2 19 25 24 32 44 46 41 10 0 4 7 14 42 82100 95 24 7 49 61 50 32 17 9 3 0 4 24 29 31 36 42 42 35 8 1 5 7 16 46 78 89 82 20 9 56 59 44 25 13 7 5 1 5 27 27 26 28 36 35 27 6 1 6 7 14 34 67 75 63 14 8 49 47 34 17 9 5 2 1 4 24 24 20 19 24 25 18 4 1 5 7 9 22 44 53 42 10 3 24 30 22 12 6 3 1 0 2 12 15 13 13 14 14 13 3 0 2 4 7 17 26 28 30 6 0 2 8 7 4 1 0 0 0 0 1 4 5 5 5 5 5 1 0 0 1 3 7 10 11 11 2 !Region 7: Section 7->9 0 0 0 1 2 8 12 2 0 0 0 0 0 0 1 1 1 0 0 0 0 -1 0 1 1 0 0 0 1 2 3 7 23 38 34 6 0 1 1 0 0 1 2 3 1 0 1 1 -1 0 1 1 1 0 0 3 3 4 15 35 49 53 13 0 1 0 -1 0 1 1 4 2 0 0 0 -1 0 0 0 1 0 0 2 3 6 21 40 51 50 14 0 0 0 -1 0 2 2 3 1 0 0 0 -1 -1 1 1 0 0 0 2 3 7 23 39 46 44 11 0 0 1 0 1 1 2 2 1 0 0 0 -1 1 0 1 0 0 0 2 3 7 15 32 37 33 8 0 1 1 1 0 1 3 3 1 0 1 1 0 1 1 2 1 0 0 2 3 4 10 21 27 22 6 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 1 1 0 0 0 1 3 8 12 14 15 3 0 -1 -1 -1 0 0 1 2 1 0 -1 -1 -1 0 0 0 1 0 0 0 0 1 3 5 5 6 1 0 0 0 -1 0 0 0 0 0 0 0 0 -1 -1 1 0 0 0 I/Sigma = 44.47 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 8 Sum = 10288.6; Maximum = 139.702; FM = 0.775 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 2 2 2 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 0 1 3 5 5 4 2 2 1 0 0 1 1 0 1 0 0 0 0 1 2 3 1 1 1 1 1 0 2 6 9 8 5 3 1 1 0 0 0 0 1 1 0 0 1 0 0 2 3 2 1 1 1 1 0 2 9 14 11 6 4 2 2 1 0 0 0 0 0 0 0 1 0 1 2 3 2 1 2 1 1 0 3 12 17 13 7 5 2 2 1 0 1 0 0 0 0 0 0 0 1 4 4 2 1 1 1 1 0 4 16 21 13 7 4 2 1 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 1 1 0 5 17 20 13 7 3 2 1 0 0 0 0 0 0 1 0 0 0 1 4 3 2 1 1 1 0 0 5 16 16 10 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 2 5 6 3 2 1 0 0 0 !Region 8: Section 4->6 0 1 7 12 12 10 7 2 0 0 2 10 19 25 28 20 7 1 0 1 5 9 19 29 22 8 2 1 6 21 32 33 23 16 6 1 1 6 29 55 69 63 49 22 4 0 3 13 29 49 62 54 30 7 3 14 33 48 43 27 17 6 1 2 15 44 81 88 73 52 26 6 1 6 19 44 61 69 56 35 9 4 23 48 59 51 33 18 6 1 4 24 61 95100 82 52 24 5 1 9 25 50 66 72 54 33 8 6 31 59 64 52 30 18 6 1 5 32 74 99 97 69 47 22 4 2 12 30 50 61 56 46 29 7 8 37 64 59 45 26 14 6 1 6 37 74 87 82 58 37 19 4 2 13 29 42 50 45 35 22 5 8 36 57 49 36 22 11 4 1 6 32 63 68 61 46 27 14 3 2 10 24 32 35 33 24 15 4 7 31 43 36 26 16 8 3 1 5 25 46 49 43 32 19 9 2 1 7 16 23 24 22 16 9 2 2 8 18 13 9 6 4 1 0 1 7 19 19 14 14 10 2 1 0 2 7 9 8 10 8 2 1 !Region 8: Section 7->9 0 0 1 1 6 12 10 6 2 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 14 24 25 17 5 0 0 0 0 1 3 4 4 2 0 0 0 0 0 0 0 0 0 0 1 2 8 16 26 25 20 6 0 1 0 1 1 3 4 5 2 0 0 0 0 0 1 0 0 0 0 1 3 8 16 25 22 19 6 0 1 1 1 2 3 3 5 2 0 0 0 0 0 0 0 0 0 0 1 3 7 13 18 20 17 5 0 1 1 0 1 3 4 5 1 0 0 1 0 0 1 0 0 0 0 2 3 6 10 12 14 12 3 0 1 0 1 1 1 3 3 1 0 0 0 1 0 0 0 0 0 0 1 2 4 7 9 8 7 2 0 0 0 1 1 1 1 2 1 0 0 0 1 1 0 0 1 0 0 0 1 4 4 5 5 4 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 3 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 144.77 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.090 Region 9 Sum = 87683; Maximum = 1613.18; FM = 0.909 !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 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 6 8 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 3 9 16 14 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 2 1 0 0 1 3 10 21 21 11 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 2 1 0 0 1 4 9 19 23 16 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 1 3 7 14 19 15 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 1 2 4 9 12 10 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 2 3 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 0 !Region 9: Section 4->6 0 2 5 7 6 3 1 1 0 0 3 7 14 17 11 5 1 0 0 2 5 11 16 12 6 2 0 1 6 19 29 22 10 3 1 0 1 8 29 51 47 27 10 3 0 1 6 20 39 41 27 12 4 1 1 10 30 51 44 21 6 2 0 2 16 45 79 75 46 18 5 1 1 12 32 54 57 41 19 7 1 1 10 32 62 63 38 13 3 0 2 20 53 94 98 66 29 9 1 2 16 39 64 69 52 27 10 2 2 10 27 54 65 50 22 6 1 2 16 46 86100 80 40 14 2 1 12 34 63 72 57 32 14 2 2 7 18 36 46 41 22 7 1 1 8 28 59 74 65 40 17 2 1 5 20 45 57 49 33 16 3 1 4 9 20 28 25 14 6 1 1 4 12 31 44 42 29 15 2 0 2 8 23 35 34 27 15 2 1 3 6 11 14 13 8 4 1 1 2 5 13 21 23 19 11 2 0 1 3 8 16 20 17 11 2 0 1 2 3 4 4 3 2 0 0 1 2 3 5 7 7 4 1 0 0 1 1 4 7 7 4 1 !Region 9: Section 7->9 0 1 1 3 5 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 11 13 9 5 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 4 9 14 17 14 8 4 1 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 10 16 19 17 11 5 1 0 0 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 3 8 16 19 17 11 6 1 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 5 12 16 15 12 7 2 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 10 11 10 7 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 6 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 12.9296 0.8902 6.836 119.988 Orientation ('UB') matrix: 0.1440014 0.0358422 -0.0039893 0.0302321 -0.0025387 0.0771138 0.0659040 -0.0771512 -0.0043908 A B C Alpha Beta Gamma Vol 6.2459 11.7497 13.0201 90.000 96.759 90.000 948.88 0.0006 0.0006 0.0012 0.000 0.005 0.000 0.19 Corrected for goodness of fit: 0.0013 0.0013 0.0027 0.000 0.013 0.000 0.44 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.130 96.062 24.272 Goniometer zeros (deg): 0.0000* 0.0007 0.0000* 0.0003 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1682 -0.2780 0.0717 -0.1760 -0.1775 0.8256 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.74277e+03 2.99194e+03 2.31 22 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): 0.15343 0.12152 0.04896 Goodness of fit: 2.74373 1.88865 2.08053 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.059 2.444 2.054 Average missing volume: 0.047 % with too much missing I: 3.448 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 2. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:23:52 Current XYZ spot size: 2.059 2.444 2.054 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): 0.288 0.283 0.309 Profile convolver halfwidth: 1.00 1.00 1.90 Background pixels updated = 92.43% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.91 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 2.91 1.000 2_0003 8 -0.01 -0.02 0.03 0.25 0.16 0.05 32311 40 0 0.73 24 2.19 3.31 2.91 1.000 3_0004 11 0.08 0.08 0.01 0.22 0.24 0.12 69817 79 0 0.78 24 2.29 3.35 2.86 1.000 4_0005 8 -0.02 -0.04 0.04 0.09 0.08 0.06 43259 54 0 0.75 29 2.26 3.15 2.75 1.000 5_0006 7 -0.01 -0.10 0.01 0.30 0.24 0.10 51877 52 0 0.67 25 2.27 3.21 2.70 1.000 6_0007 4 0.02 -0.01 0.02 0.04 0.05 0.03 45628 53 0 0.71 25 2.29 3.27 2.68 1.000 7_0008 15 0.09 -0.02 -0.06 0.35 0.11 0.13 56128 66 7 0.81 28 2.56 3.42 2.69 1.000 8_0009 5 0.10 -0.04 -0.00 0.15 0.14 0.06 45127 48 0 0.70 29 2.53 3.54 2.64 1.000 9_0010 7 -0.10 -0.02 0.05 0.37 0.07 0.14 37967 46 0 0.80 27 2.53 3.51 2.64 1.000 10_0011 11 0.17 -0.07 0.01 0.70 0.43 0.20 33801 44 0 0.81 27 2.49 3.51 2.64 1.000 11_0012 11 -0.04 -0.01 0.05 0.14 0.04 0.09 69632 72 0 0.75 27 2.48 3.51 2.62 1.000 12_0013 11 -0.03 -0.07 0.07 0.18 0.20 0.28 68831 67 0 0.80 26 2.53 3.60 2.61 1.000 13_0014 9 -0.08 -0.06 0.02 0.23 0.13 0.07 43516 47 0 0.87 29 2.61 3.67 2.62 1.000 14_0015 5 0.00 -0.03 0.01 0.11 0.03 0.05 97092 99 0 0.63 25 2.61 3.66 2.59 1.000 15_0016 7 0.00 -0.01 -0.03 0.12 0.04 0.04 24690 37 0 0.65 28 2.62 3.67 2.61 1.000 16_0017 7 -0.07 0.06 -0.02 0.16 0.09 0.06 75799 76 0 0.84 29 2.57 3.65 2.62 1.000 17_0018 6 0.41 -0.11 -0.09 0.92 0.23 0.18 12938 32 0 0.69 31 2.63 3.71 2.58 1.000 18_0019 21 -0.06 -0.01 -0.09 0.19 0.09 0.15 46901 48 5 0.76 26 2.68 3.74 2.58 1.000 19_0020 5 -0.03 0.01 -0.11 0.09 0.04 0.19 73016 78 0 0.82 24 2.69 3.75 2.60 1.000 Background pixels updated = 92.41% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 12 0.21 0.10 -0.07 0.38 0.50 0.14 73604 76 0 0.79 28 2.70 3.78 2.62 1.000 21_0022 8 0.03 0.03 -0.05 0.25 0.10 0.08 36034 51 13 0.80 29 2.66 3.75 2.67 1.000 22_0023 4 -0.19 -0.06 0.09 0.38 0.13 0.17 13091 25 0 0.77 25 2.69 3.76 2.68 1.000 23_0024 8 0.11 0.02 -0.08 0.18 0.08 0.11 22497 34 0 0.72 27 2.69 3.76 2.69 1.000 24_0025 8 -0.07 0.01 -0.04 0.33 0.19 0.07 21538 35 0 0.73 27 2.68 3.76 2.69 1.000 25_0026 15 -0.04 0.04 -0.04 0.23 0.21 0.10 53787 63 0 0.79 26 2.65 3.77 2.69 1.000 26_0027 12 0.04 -0.16 -0.10 0.50 0.32 0.12 37764 60 0 0.78 32 2.67 3.77 2.71 1.000 I/Sigma = 63.59 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.041 Region 1 Sum = 25747.8; Maximum = 988.381; FM = 0.85 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 2 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 3 1 1 1 0 0 0 2 7 12 6 2 1 0 0 0 0 1 1 0 0 0 0 0 0 2 7 8 3 1 1 1 0 0 4 21 41 19 3 1 1 0 0 1 1 1 0 0 0 0 0 0 2 8 10 4 1 1 0 0 0 4 26 55 29 5 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 4 2 1 0 1 0 0 2 10 23 15 3 1 1 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 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 1 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 2 2 1 1 0 0 1 7 20 14 4 1 1 0 0 1 3 13 15 7 2 1 0 0 0 1 4 9 8 3 1 0 0 3 23 71 50 11 2 1 0 0 1 11 49 57 24 5 1 0 0 1 2 14 34 30 9 2 0 0 3 31100 77 19 3 1 0 0 2 16 73 92 43 9 2 0 0 1 3 21 58 57 19 3 0 0 2 13 44 41 12 3 1 0 0 1 7 33 49 30 9 2 0 0 0 1 10 33 45 21 4 0 0 1 3 9 11 4 1 0 0 0 0 2 7 13 11 5 1 0 0 0 1 2 10 19 13 3 0 0 0 1 2 2 1 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 1 2 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 3 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 1 0 0 0 1 3 14 21 9 2 0 0 0 0 1 4 6 4 2 0 0 0 0 0 0 0 1 1 0 0 0 1 4 24 40 18 4 1 0 0 0 1 6 11 8 3 1 0 0 0 0 0 1 1 2 1 0 1 1 2 15 36 23 5 1 0 0 1 1 4 12 10 5 1 0 0 0 0 1 1 2 2 1 0 0 1 1 6 19 15 4 1 0 0 0 1 2 8 7 3 1 0 0 0 0 1 1 1 2 1 0 0 0 1 2 5 5 2 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 183.20 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.090 Region 2 Sum = 178477; Maximum = 13089; FM = 0.802 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 6 2 0 0 0 0 0 1 12 31 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 3 0 0 0 0 0 1 16 46 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 5 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 2 6 2 0 0 0 0 0 0 1 4 2 0 0 0 0 0 1 20 55 13 0 0 0 0 0 0 17 52 13 0 0 0 0 0 0 10 34 10 1 0 0 0 0 1 34 95 29 1 0 0 0 0 1 36100 31 1 0 0 0 0 1 27 73 26 2 0 0 0 0 0 11 37 11 0 0 0 0 0 0 13 43 15 1 0 0 0 0 0 10 36 18 2 0 0 0 0 0 1 4 1 0 0 0 0 0 0 1 5 3 0 0 0 0 0 0 1 6 5 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 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 15 6 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13 35 15 2 0 0 0 0 0 3 8 4 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 6 21 15 2 0 0 0 0 0 2 6 5 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 5 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 112.83 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.079 Region 3 Sum = 69160.4; Maximum = 5047.89; FM = 0.825 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 4 8 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 0 0 0 0 0 1 9 22 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 0 1 8 23 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 6 1 0 0 0 0 0 3 9 5 1 0 0 0 0 0 1 4 2 0 0 0 0 0 1 16 46 20 1 0 0 0 0 1 15 50 21 1 0 0 0 0 1 7 28 12 1 0 0 0 0 1 22 67 23 1 0 0 0 0 1 32100 30 1 0 0 0 0 1 23 73 22 1 0 0 0 0 1 10 28 7 1 0 0 0 0 1 21 57 15 1 0 0 0 0 2 21 53 15 1 0 0 0 0 0 2 4 1 0 0 0 0 0 1 7 13 4 0 0 0 0 0 1 10 19 7 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 23 7 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 23 8 1 0 0 0 0 1 3 5 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 8 13 6 1 0 0 0 0 1 4 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 3 1 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 53.57 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.344 Region 4 Sum = 16825.4; Maximum = 751.526; FM = 0.824 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 3 7 5 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 9 8 2 0 0 0 0 0 4 20 21 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 15 4 1 0 0 0 0 3 28 46 14 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4 9 3 1 0 0 0 0 1 14 32 15 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 6 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 4 2 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 2 2 1 0 0 0 3 15 18 7 2 1 0 0 0 1 3 10 11 4 1 0 0 0 0 1 6 9 4 1 0 0 0 3 26 50 28 6 1 0 0 0 1 9 33 46 16 2 0 0 0 1 2 19 40 17 3 1 0 0 1 15 46 47 17 2 0 0 0 1 6 42100 51 6 1 0 0 1 2 27 93 59 9 1 0 0 1 3 11 26 17 3 1 0 0 0 2 15 69 57 12 1 0 0 0 1 12 67 68 17 3 0 0 1 1 2 7 7 2 1 0 0 0 0 3 19 23 7 1 0 0 0 0 2 18 27 11 3 0 0 0 0 1 1 2 1 0 0 0 0 0 1 3 5 3 0 0 0 0 0 1 2 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 5 12 8 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 1 1 8 29 25 6 1 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 4 22 30 13 4 1 0 0 0 1 2 5 5 3 1 0 0 0 0 0 0 1 2 0 0 0 0 1 6 13 11 5 1 0 0 0 0 1 4 7 5 1 0 0 0 0 1 1 2 2 1 0 0 0 0 1 4 6 4 1 0 1 0 0 1 3 6 4 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 32.77 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 5 Sum = 8324.47; Maximum = 327.947; FM = 0.741 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 2 1 1 1 1 1 1 0 1 2 2 1 1 1 1 1 0 1 1 1 1 0 0 0 1 1 2 3 2 1 1 0 1 1 1 4 10 9 4 1 1 1 1 0 1 1 1 1 1 1 0 0 1 4 7 6 3 1 1 1 0 1 10 35 39 17 4 2 1 0 0 0 0 1 0 0 1 0 0 1 2 5 7 3 1 1 1 0 1 7 33 50 30 7 3 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 1 0 1 2 7 13 11 5 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 2 2 2 1 1 0 0 -1 0 0 0 0 0 1 0 0 -1 0 -1 0 0 0 1 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 1 0 0 0 !Region 5: Section 4->6 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 4 3 1 1 2 2 1 0 1 3 2 1 1 2 1 1 0 0 1 0 0 1 1 0 0 1 5 17 17 7 3 2 1 1 0 2 11 13 6 3 1 0 0 0 0 2 3 4 4 2 0 0 1 11 61 80 38 8 2 1 1 0 5 38 58 34 15 4 1 1 0 0 6 13 17 23 8 2 1 1 9 57100 66 20 4 2 1 0 3 32 71 61 38 12 3 1 0 0 5 17 35 60 30 7 1 1 2 12 26 25 14 4 2 0 0 1 6 18 25 27 14 4 1 0 -1 1 5 17 44 36 13 2 0 1 2 3 5 4 1 1 0 0 0 1 2 4 7 4 2 0 0 0 1 1 3 9 12 8 2 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0 0 1 0 1 1 2 1 0 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 !Region 5: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 -1 0 -1 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 4 2 1 1 0 1 1 1 1 2 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 1 8 18 8 2 1 1 1 0 1 2 4 3 1 0 0 1 0 1 1 0 1 0 0 0 0 1 4 17 47 29 7 1 0 0 1 2 4 12 10 4 1 0 1 1 1 1 0 1 2 1 0 0 1 1 10 35 36 15 3 0 1 1 1 3 9 12 7 2 0 1 1 1 1 1 1 2 2 0 0 1 1 2 7 14 11 2 0 1 1 1 1 3 6 5 1 0 1 1 1 1 1 1 1 1 0 0 1 0 2 1 3 3 0 0 1 1 1 2 1 2 2 0 0 1 1 1 2 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 1 0 0 0 I/Sigma = 34.04 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 6791.16; Maximum = 354.352; FM = 0.88 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 -1 0 0 0 0 0 1 1 0 -1 0 0 0 0 1 2 2 0 0 1 0 0 1 1 0 0 0 0 0 0 1 3 4 2 1 1 0 0 0 1 4 7 8 6 2 1 1 0 1 2 1 0 0 0 0 0 0 2 5 5 3 1 1 0 0 0 1 6 11 13 7 2 1 1 0 1 1 1 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 0 2 6 5 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 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 0 0 1 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 !Region 6: Section 4->6 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 2 1 1 1 1 0 0 0 2 2 1 1 1 1 0 0 0 1 1 1 1 2 1 0 0 2 5 6 3 2 1 0 0 0 1 7 11 7 3 1 1 0 0 1 4 6 5 4 2 1 0 3 10 28 33 17 5 1 1 0 2 8 39 56 34 12 1 1 1 1 3 18 29 24 12 2 1 0 5 18 51 57 29 8 2 1 1 3 16 74100 59 20 3 1 1 2 7 35 53 42 21 5 1 0 2 9 22 29 17 5 1 0 1 1 8 34 51 33 13 3 1 0 1 3 17 27 23 15 5 1 0 0 1 3 5 3 2 1 0 0 0 1 5 8 6 4 1 0 0 1 1 3 5 4 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 !Region 6: Section 7->9 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 0 0 1 1 1 0 1 1 1 0 0 1 0 1 0 0 0 0 0 1 1 1 2 2 3 3 1 0 0 0 1 2 1 2 2 1 0 0 0 0 1 0 1 1 0 1 1 1 2 3 9 8 5 1 0 1 1 1 2 4 5 5 1 0 0 0 0 1 1 1 2 1 1 1 1 2 6 15 14 8 3 0 1 1 2 3 6 8 8 3 0 0 0 1 1 1 2 3 1 0 1 1 2 3 7 11 8 3 0 1 1 1 2 3 6 7 3 0 0 0 0 1 1 1 3 1 0 1 1 1 2 2 3 2 1 0 0 1 1 1 1 2 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 32.73 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.449 Region 7 Sum = 7020.58; Maximum = 294.167; FM = 0.683 !Region 7: Section 1->3 1 1 0 0 1 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 0 0 1 1 1 2 2 2 2 1 0 1 1 0 1 1 1 1 1 0 1 2 2 1 1 1 1 1 1 1 3 4 3 2 2 1 1 0 1 1 1 1 0 1 1 0 0 2 4 6 4 2 1 1 0 1 3 11 20 12 5 2 1 1 0 1 1 1 2 1 0 0 0 0 5 12 14 7 2 1 1 0 1 12 35 46 24 6 2 2 1 0 0 1 1 1 1 0 0 0 1 5 10 9 4 2 1 0 1 2 13 29 28 13 4 2 1 1 0 0 0 1 0 0 0 0 0 1 1 3 2 1 1 1 0 0 1 4 7 6 4 2 1 1 0 0 1 1 1 0 1 0 1 0 0 1 1 1 1 1 1 1 0 0 1 1 2 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 0 1 1 1 0 0 !Region 7: Section 4->6 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 1 2 1 2 2 1 0 0 1 1 1 2 2 1 0 1 1 1 1 1 3 3 2 0 1 1 2 4 3 2 2 1 1 0 1 1 2 4 11 7 2 1 0 1 2 2 6 24 16 3 1 0 3 10 21 15 6 3 1 0 0 1 4 10 19 39 22 4 1 0 1 3 5 27 83 51 10 1 1 10 33 53 32 9 2 1 1 0 2 12 26 38 49 25 6 1 0 1 4 10 49100 56 14 2 2 11 30 34 17 4 2 1 1 0 3 12 18 18 21 11 4 1 0 1 3 6 23 42 24 8 1 1 4 7 6 4 2 1 1 0 0 1 3 3 3 3 2 1 0 1 1 1 3 5 6 4 2 0 0 1 1 1 2 2 1 1 0 0 1 1 1 1 1 1 1 0 0 1 1 2 2 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 1 0 0 0 1 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 1 1 3 14 10 3 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 2 1 0 1 2 2 15 48 32 7 1 0 0 0 0 1 3 4 3 1 0 0 0 0 1 1 1 2 1 0 0 2 4 27 57 35 9 1 0 0 0 0 1 3 4 3 1 0 0 0 0 1 1 1 2 1 0 1 1 3 12 24 14 5 1 0 0 0 0 1 1 1 1 0 0 0 -1 0 1 1 0 1 0 1 1 1 2 3 3 2 1 1 1 0 0 0 0 0 1 0 1 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 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 I/Sigma = 44.05 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.201 Region 8 Sum = 14219.1; Maximum = 717.532; FM = 0.881 !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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 1 2 2 1 1 1 1 0 1 2 6 6 2 1 1 1 0 0 0 0 0 1 1 0 0 0 1 4 4 2 2 1 1 0 0 2 8 19 12 3 2 1 0 0 0 1 1 1 1 0 0 0 0 2 6 5 2 1 1 0 0 0 3 13 19 9 2 1 0 0 0 0 0 1 1 0 0 0 0 0 1 2 2 1 1 1 0 0 0 1 5 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 2 4 2 1 0 0 1 1 3 8 5 1 1 0 0 0 1 5 17 15 5 1 0 0 0 1 3 14 20 8 1 0 0 0 2 20 36 15 3 1 1 0 0 2 27 69 43 10 2 0 0 0 1 14 52 50 15 2 0 0 1 10 51 59 18 3 1 0 0 1 7 62100 45 9 1 0 0 1 3 28 66 47 12 2 0 0 2 14 41 34 9 1 0 0 0 1 8 43 53 21 4 1 0 0 1 3 17 31 19 5 1 0 0 1 5 10 9 3 1 0 0 0 1 3 10 13 5 1 0 0 0 1 1 4 7 4 2 1 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 3 2 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 6 13 7 2 0 0 0 0 1 2 4 3 2 0 0 0 0 0 1 0 1 1 0 0 0 1 3 18 27 11 3 0 0 0 1 1 3 7 5 2 1 0 0 0 0 1 1 1 1 0 0 0 1 4 18 23 9 2 1 0 0 1 1 2 6 4 2 1 0 0 1 0 0 1 1 1 0 0 1 1 2 7 8 4 1 1 0 0 1 1 1 2 2 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 2 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 145.08 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.090 Region 9 Sum = 101764; Maximum = 8203.88; FM = 0.828 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 7 11 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 0 1 11 25 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 1 5 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 4 9 2 0 0 0 0 0 0 4 10 3 0 0 0 0 0 1 18 32 6 0 0 0 0 0 2 29 57 14 1 0 0 0 0 1 23 49 15 1 0 0 0 0 2 27 64 21 1 0 0 0 0 2 41100 37 3 0 0 0 0 2 33 79 34 3 0 0 0 0 1 9 23 12 1 0 0 0 0 1 10 35 23 3 0 0 0 0 1 7 29 22 3 0 0 0 0 0 1 3 2 0 0 0 0 0 0 1 3 4 1 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 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 17 7 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 10 26 14 2 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 9 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (206 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 206 0 206 12.9284 0.8884 6.837 120.391 Orientation ('UB') matrix: 0.1440329 0.0358297 -0.0040046 0.0302632 -0.0025069 0.0771219 0.0658966 -0.0771632 -0.0043650 A B C Alpha Beta Gamma Vol 6.2448 11.7491 13.0191 90.000 96.766 90.000 948.57 0.0007 0.0007 0.0014 0.000 0.006 0.000 0.23 Corrected for goodness of fit: 0.0016 0.0016 0.0034 0.000 0.015 0.000 0.56 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.148 96.045 24.263 Goniometer zeros (deg): 0.0000* -0.0039 0.0000* 0.0018 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1991 -0.2046 0.0721 -0.1640 -0.1676 0.8274 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.81284e+03 3.61593e+03 2.45 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 206 206 204 Average input ESD (pix, pix, deg): 0.25489 0.19607 0.06244 Goodness of fit: 2.94690 2.33771 1.85400 Old XYZ spot size: 2.059 2.444 2.054 New XYZ spot size: 2.036 2.407 2.037 Average missing volume: 0.042 % with too much missing I: 3.793 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:23:54 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 2.036 2.407 2.037 Spot size used (deg): 2.036 2.407 2.037 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 13 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): 0.284 0.278 0.308 Profile convolver halfwidth: 1.00 1.00 1.91 Background pixels updated = 92.78% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 0.00 1.000 2_0003 8 0.01 -0.01 0.05 0.25 0.15 0.07 32264 42 0 0.82 24 1.64 2.12 3.04 1.000 3_0004 12 0.10 0.08 0.04 0.22 0.23 0.11 62881 78 0 0.82 23 1.69 2.14 3.37 1.000 4_0005 8 0.16 0.01 0.28 0.44 0.16 0.67 36746 52 0 0.79 29 1.75 2.11 3.27 1.000 5_0006 7 -0.00 -0.09 0.03 0.29 0.23 0.10 50696 52 0 0.74 25 1.75 2.14 3.26 1.000 6_0007 4 0.04 -0.01 0.04 0.05 0.04 0.05 45184 54 0 0.73 25 1.76 2.17 3.29 1.000 7_0008 15 0.08 -0.02 -0.03 0.34 0.10 0.10 39446 67 7 0.83 28 1.95 2.25 3.30 1.000 8_0009 5 0.12 -0.02 0.00 0.16 0.14 0.06 40646 49 0 0.72 29 1.92 2.32 3.28 1.000 9_0010 8 0.13 -0.16 0.02 0.30 0.43 0.08 33394 43 0 0.80 26 1.91 2.31 3.27 1.000 10_0011 12 0.24 -0.20 -0.01 0.71 0.62 0.13 29670 43 0 0.84 26 1.94 2.33 3.26 1.000 11_0012 11 -0.05 0.00 0.07 0.16 0.04 0.10 62764 72 0 0.78 27 1.93 2.32 3.30 1.000 12_0013 12 -0.07 -0.08 0.00 0.21 0.21 0.06 61236 64 0 0.82 26 1.97 2.37 3.34 1.000 13_0014 10 0.38 -0.19 -0.00 1.32 0.49 0.09 38523 53 0 0.88 29 2.02 2.43 3.35 1.000 14_0015 5 0.01 -0.03 0.02 0.12 0.04 0.05 87127 99 0 0.64 25 2.01 2.42 3.36 1.000 15_0016 7 -0.01 0.01 -0.02 0.12 0.04 0.03 22255 37 0 0.66 28 2.01 2.42 3.33 1.000 16_0017 7 -0.01 0.06 -0.04 0.04 0.07 0.06 60346 77 0 0.85 28 1.98 2.41 3.31 1.000 17_0018 7 0.34 -0.10 -0.06 0.81 0.21 0.15 11182 31 0 0.72 30 2.02 2.45 3.29 1.000 18_0019 20 -0.08 -0.01 -0.07 0.23 0.11 0.13 38473 49 5 0.76 27 2.04 2.46 3.31 1.000 19_0020 5 -0.05 0.00 -0.09 0.09 0.05 0.17 78002 77 0 0.81 24 2.05 2.46 3.33 1.000 Background pixels updated = 92.76% 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 12 0.18 0.14 -0.05 0.32 0.51 0.13 63149 76 0 0.80 28 2.05 2.48 3.37 1.000 21_0022 8 0.03 0.04 -0.04 0.22 0.11 0.07 26768 51 0 0.80 29 2.03 2.46 3.37 1.000 22_0023 4 -0.21 -0.06 0.07 0.43 0.11 0.14 13755 26 0 0.75 25 2.04 2.48 3.37 1.000 23_0024 8 0.10 0.03 -0.07 0.17 0.07 0.10 22060 34 0 0.73 27 2.04 2.48 3.34 1.000 24_0025 9 0.43 0.26 -0.06 1.56 0.72 0.12 20031 33 0 0.74 27 2.04 2.49 3.33 1.000 25_0026 15 0.02 0.04 -0.03 0.35 0.27 0.10 48644 64 0 0.80 26 2.02 2.49 3.35 1.000 26_0027 12 -0.01 -0.11 -0.10 0.49 0.27 0.12 29021 61 0 0.79 32 2.03 2.49 3.33 1.000 27_0028 9 -0.00 0.03 -0.01 0.27 0.07 0.07 65403 76 0 0.79 29 2.04 2.51 3.34 1.000 28_0029 10 0.66 -0.43 -0.08 1.68 1.04 0.12 50101 52 0 0.77 27 2.05 2.52 3.34 1.000 29_0030 7 -0.14 -0.08 -0.08 0.41 0.21 0.12 28868 49 0 0.82 28 2.05 2.52 3.35 1.000 30_0031 10 0.00 -0.14 0.02 0.16 0.23 0.07 46275 53 0 0.69 27 2.04 2.51 3.35 1.000 31_0032 9 -0.08 -0.13 -0.00 0.18 0.15 0.06 36075 45 0 0.74 24 2.05 2.52 3.35 1.000 32_0033 12 0.30 -0.22 -0.00 0.94 0.39 0.11 47119 63 0 0.78 32 2.05 2.53 3.36 1.000 33_0034 9 0.06 -0.15 -0.03 0.21 0.16 0.05 31726 44 0 0.76 27 2.05 2.53 3.36 1.000 34_0035 10 0.11 -0.12 0.01 0.27 0.36 0.04 55097 64 0 0.80 27 2.04 2.54 3.36 1.000 35_0036 6 0.05 -0.10 -0.02 0.10 0.21 0.07 63647 66 0 0.76 27 2.03 2.54 3.37 1.000 36_0037 7 0.20 0.01 -0.01 0.45 0.25 0.09 18022 28 0 0.76 23 2.03 2.54 3.37 1.000 37_0038 7 0.20 -0.61 -0.07 0.58 1.04 0.13 26646 33 0 0.74 28 2.02 2.53 3.37 1.000 38_0039 10 0.13 -0.33 -0.03 0.19 0.55 0.10 89656 71 0 0.76 28 2.04 2.55 3.38 1.000 39_0040 12 0.01 -0.12 -0.06 0.13 0.14 0.15 52142 60 0 0.82 24 2.03 2.55 3.39 1.000 Background pixels updated = 92.92% 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 13 -0.00 -0.15 -0.02 0.15 0.22 0.07 42857 58 0 0.81 28 2.02 2.55 3.39 1.000 41_0042 2 0.09 -0.16 -0.02 0.10 0.16 0.03 67890 86 0 0.73 30 2.02 2.55 3.39 1.000 42_0043 3 1.74 0.68 -0.39 3.03 1.34 0.64 66418 94 0 0.78 29 2.03 2.55 3.39 1.000 43_0044 16 0.09 -0.16 -0.02 0.28 0.17 0.07 60491 56 0 0.74 25 2.02 2.55 3.39 1.000 44_0045 5 0.33 -0.01 -0.08 0.61 0.26 0.15 41258 48 0 0.68 25 2.02 2.55 3.39 1.000 45_0046 6 0.10 -0.16 0.01 0.11 0.16 0.06 82983 78 0 0.76 26 2.02 2.55 3.40 1.000 46_0047 9 0.06 -0.16 -0.04 0.14 0.17 0.05 42041 55 0 0.74 28 2.03 2.57 3.40 1.000 47_0048 10 0.15 -0.28 0.02 0.31 0.37 0.07 83020 80 0 0.84 25 2.03 2.58 3.40 1.000 48_0049 9 -0.04 -0.23 0.11 0.20 0.28 0.36 45109 51 0 0.78 26 2.03 2.58 3.40 1.000 49_0050 7 -0.06 -0.33 -0.03 0.32 0.42 0.06 36331 60 0 0.74 26 2.04 2.59 3.40 1.000 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (397 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 397 0 397 12.9318 0.8878 6.835 120.543 Orientation ('UB') matrix: 0.1440433 0.0358755 -0.0039543 0.0302027 -0.0024853 0.0771065 0.0659979 -0.0771626 -0.0043220 A B C Alpha Beta Gamma Vol 6.2435 11.7466 13.0231 90.000 96.787 90.000 948.42 0.0004 0.0004 0.0005 0.000 0.003 0.000 0.11 Corrected for goodness of fit: 0.0010 0.0011 0.0015 0.000 0.007 0.000 0.30 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.129 96.026 24.296 Goniometer zeros (deg): 0.0000* -0.0026 0.0000* 0.0209 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1547 -0.2580 0.0700 -0.2163 -0.2020 0.8354 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.08470e+04 8.64697e+03 2.72 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 397 397 389 Average input ESD (pix, pix, deg): 0.27681 0.21398 0.05848 Goodness of fit: 3.06816 3.12621 1.62706 Background pixels updated = 93.10% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 10 -0.10 -0.20 -0.02 0.61 0.26 0.09 68440 64 0 0.68 27 2.05 2.60 3.40 1.000 51_0052 14 0.07 -0.14 -0.00 0.11 0.17 0.04 70906 80 7 0.85 29 2.04 2.61 3.41 1.000 52_0053 5 0.11 -0.03 0.02 0.17 0.12 0.13 72428 89 0 0.82 30 2.04 2.61 3.41 1.000 53_0054 12 0.08 -0.06 0.01 0.13 0.12 0.07 67462 87 0 0.77 31 2.03 2.61 3.43 1.000 54_0055 11 0.23 -0.15 -0.03 0.43 0.27 0.11 35804 52 0 0.78 25 2.04 2.62 3.42 1.000 55_0056 11 0.16 0.09 0.02 0.66 0.44 0.08 41123 45 0 0.74 28 2.04 2.63 3.43 1.000 56_0057 6 0.47 -0.04 -0.04 0.86 0.14 0.09 14487 31 0 0.78 27 2.04 2.63 3.42 1.000 57_0058 11 0.03 -0.14 -0.02 0.23 0.16 0.12 78462 82 0 0.82 28 2.06 2.64 3.43 1.000 58_0059 6 -0.06 -0.11 0.00 0.30 0.15 0.16 52390 66 0 0.84 30 2.06 2.65 3.42 1.000 59_0060 12 0.02 -0.15 -0.01 0.18 0.29 0.12 41314 49 0 0.71 26 2.06 2.64 3.43 1.000 Background pixels updated = 93.13% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 60_0061 14 0.36 -0.04 -0.04 0.81 0.39 0.10 45595 63 0 0.79 28 2.06 2.66 3.44 1.000 61_0062 8 0.03 -0.18 -0.02 0.12 0.19 0.14 90247 112 0 0.88 33 2.07 2.67 3.45 1.000 62_0063 9 0.04 -0.12 -0.01 0.07 0.15 0.10 68933 95 0 0.85 30 2.06 2.67 3.46 1.000 63_0064 11 0.15 -0.14 -0.02 0.20 0.19 0.07 77779 75 0 0.77 27 2.06 2.68 3.47 1.000 64_0065 10 -0.01 -0.08 -0.00 0.18 0.13 0.07 41308 47 0 0.80 25 2.06 2.68 3.46 1.000 65_0066 3 0.34 -0.07 -0.07 0.37 0.18 0.09 36563 44 0 0.86 27 2.06 2.68 3.46 1.000 66_0067 8 0.14 -0.05 -0.00 0.23 0.08 0.07 39683 53 0 0.75 26 2.06 2.68 3.46 1.000 67_0068 13 -0.02 -0.19 -0.02 0.30 0.25 0.12 57680 60 0 0.80 27 2.05 2.68 3.46 1.000 68_0069 10 0.16 -0.21 0.01 0.77 0.42 0.08 37068 50 0 0.72 26 2.04 2.68 3.46 1.000 69_0070 11 0.05 -0.09 0.02 0.19 0.15 0.07 20041 36 9 0.80 29 2.04 2.69 3.45 1.000 70_0071 8 0.20 -0.11 -0.04 0.26 0.17 0.08 56505 58 0 0.75 24 2.04 2.69 3.45 1.000 71_0072 10 0.09 -0.14 -0.04 0.13 0.20 0.07 30548 52 0 0.78 27 2.03 2.69 3.45 1.000 72_0073 8 0.27 -0.28 0.09 0.45 0.53 0.20 52959 58 0 0.78 23 2.03 2.69 3.44 1.000 73_0074 3 0.20 -0.14 0.01 0.23 0.20 0.04 90543 99 0 0.83 22 2.03 2.69 3.44 1.000 74_0075 10 0.11 -0.17 -0.01 0.16 0.19 0.12 44266 51 0 0.83 24 2.03 2.69 3.45 1.000 75_0076 8 0.12 -0.16 0.01 0.16 0.19 0.06 48604 55 0 0.77 27 2.04 2.70 3.45 1.000 76_0077 7 0.13 -0.17 -0.02 0.24 0.21 0.09 73942 75 0 0.81 29 2.04 2.70 3.45 1.000 77_0078 12 -0.12 -0.06 0.06 0.39 0.14 0.20 67440 86 8 0.81 26 2.04 2.70 3.46 1.000 78_0079 8 0.00 -0.09 0.01 0.21 0.14 0.06 41440 47 0 0.66 27 2.03 2.70 3.45 1.000 79_0080 5 0.09 -0.09 0.03 0.17 0.13 0.05 111382 94 0 0.70 24 2.03 2.71 3.46 1.000 Background pixels updated = 92.76% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80_0081 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 2.03 2.71 3.46 1.000 81_0082 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 2.03 2.71 3.46 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_08_0082.sfrm I/Sigma = 99.50 Thresh = 0.020 Blend = F #Contributing = 217 InitialProfileWt = 0.000 Region 1 Sum = 45103; Maximum = 1407.3; FM = 0.853 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 3 1 1 0 0 0 0 2 6 8 4 1 0 0 0 0 1 2 1 0 0 0 0 0 0 3 8 8 3 1 0 0 0 1 4 17 25 10 2 1 0 0 0 1 2 1 0 0 0 0 0 1 4 12 14 4 1 1 0 0 1 6 33 52 20 3 1 1 0 0 1 1 1 0 0 0 0 0 0 3 11 14 5 1 1 1 0 1 6 37 59 24 4 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 3 13 21 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 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 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 1 2 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 6 11 8 2 1 0 0 0 1 3 8 9 4 1 0 0 0 0 1 3 6 4 2 1 0 0 3 17 35 22 6 1 1 0 0 1 8 23 26 11 2 1 0 0 1 2 8 18 13 4 1 0 0 5 39 80 49 12 2 1 0 0 3 20 60 65 28 5 1 0 0 1 5 23 51 37 9 1 0 0 7 51100 63 17 3 1 0 0 4 30 81 91 44 9 1 0 0 1 7 34 77 61 16 2 0 0 3 20 41 31 10 2 1 0 0 2 13 36 48 29 7 1 0 0 1 4 15 42 45 15 2 0 0 1 3 9 10 5 1 0 0 0 1 2 9 16 13 4 1 0 0 0 1 4 15 22 10 2 0 0 1 1 2 3 2 1 0 0 0 0 1 2 6 6 2 1 0 0 0 0 2 6 10 6 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 9 4 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 23 27 9 2 0 0 0 1 2 6 9 5 2 0 0 0 0 0 0 1 1 1 0 0 1 2 9 37 45 16 3 1 0 0 1 2 9 14 7 2 1 0 0 0 0 0 1 1 1 0 0 0 1 4 21 35 17 4 1 0 0 1 1 5 12 9 3 1 0 0 0 0 0 1 2 1 0 0 0 1 2 9 20 14 5 1 0 0 0 1 3 8 9 4 1 0 0 0 0 0 1 2 2 1 0 0 0 1 4 10 9 4 1 0 0 0 0 1 5 6 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 I/Sigma = 245.36 Thresh = 0.020 Blend = F #Contributing = 181 InitialProfileWt = 0.000 Region 2 Sum = 300223; Maximum = 25249; FM = 0.815 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 1 10 25 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 0 1 12 31 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 9 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 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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 3 0 0 0 0 0 0 2 8 3 0 0 0 0 0 0 1 5 2 0 0 0 0 0 1 18 50 15 1 0 0 0 0 1 19 58 19 1 0 0 0 0 0 10 33 12 1 0 0 0 0 1 32 78 26 1 0 0 0 0 1 39100 36 1 0 0 0 0 1 23 62 24 1 0 0 0 0 1 10 30 9 0 0 0 0 0 1 13 42 14 1 0 0 0 0 0 9 30 12 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 1 5 2 0 0 0 0 0 0 2 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 4 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 20 8 1 0 0 0 0 0 2 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 14 6 1 0 0 0 0 0 2 5 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 4 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 147.29 Thresh = 0.020 Blend = F #Contributing = 120 InitialProfileWt = 0.000 Region 3 Sum = 111300; Maximum = 7726.36; FM = 0.866 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 11 14 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 2 12 18 5 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 0 0 2 3 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 9 15 6 1 0 0 0 0 1 7 14 8 1 0 0 0 0 0 2 6 5 1 0 0 0 0 3 26 44 17 2 0 0 0 0 2 24 54 26 3 0 0 0 0 1 8 28 19 3 0 0 0 0 4 36 69 25 1 0 0 0 0 4 43100 41 2 0 0 0 0 2 21 63 29 2 0 0 0 0 2 17 33 9 1 0 0 0 0 3 24 53 17 1 0 0 0 0 2 14 38 15 1 0 0 0 0 1 5 6 2 0 0 0 0 0 2 7 10 3 0 0 0 0 0 1 5 10 5 1 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 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 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 2 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 1 8 8 1 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 20 12 2 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 16 8 1 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 5 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 3 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 64.73 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.003 Region 4 Sum = 28130.2; Maximum = 1087.14; FM = 0.873 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 0 0 0 3 6 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 4 2 0 1 0 0 0 3 10 18 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 3 1 1 0 0 0 2 14 34 21 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 1 7 23 19 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 2 6 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 2 3 2 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 2 8 16 9 2 0 0 0 0 1 5 13 11 3 1 0 0 0 1 2 5 7 3 1 0 0 0 2 13 36 24 5 1 0 0 0 1 8 30 29 10 2 0 0 0 1 2 10 17 11 3 1 0 0 2 19 72 59 12 1 0 0 0 1 13 63 73 23 3 0 0 0 1 4 22 42 25 6 1 0 0 1 11 55 68 23 3 0 0 0 0 8 54100 51 8 1 0 0 0 3 22 69 57 13 1 0 0 1 2 16 32 17 3 1 0 0 0 2 18 56 44 10 1 0 0 0 1 9 45 54 16 2 0 0 0 1 5 11 7 2 1 0 0 0 1 6 19 19 6 1 0 0 1 1 4 16 25 11 2 0 0 0 1 3 5 3 1 0 0 0 0 1 3 8 8 4 1 0 0 0 1 2 7 12 7 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 4 3 1 0 !Region 4: Section 7->9 0 0 0 0 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 1 2 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 8 3 1 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 12 15 6 1 0 0 0 1 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 5 23 31 9 2 0 0 0 1 1 4 7 3 1 1 0 0 0 0 0 1 0 1 0 0 1 1 3 19 32 12 2 0 0 1 1 1 4 8 4 2 1 0 0 0 0 0 0 0 1 0 0 1 1 1 7 16 9 3 1 0 1 0 0 2 4 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 1 4 9 7 3 0 0 0 0 1 1 3 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.26 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.009 Region 5 Sum = 20471.4; Maximum = 510.222; FM = 0.827 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 2 1 1 1 0 0 0 1 1 1 1 0 0 0 0 1 3 4 3 2 1 0 1 0 1 7 11 9 4 2 1 1 0 1 2 1 0 1 0 0 0 0 2 6 7 5 2 1 1 1 0 2 13 22 20 9 3 1 1 0 1 1 1 1 1 1 1 1 0 1 7 12 10 4 1 1 1 0 2 17 45 52 23 5 1 1 0 0 0 0 0 0 0 0 0 0 0 4 8 9 4 1 1 1 0 1 11 35 49 29 8 3 1 0 0 0 0 1 0 0 0 0 0 1 1 2 3 2 1 0 0 0 1 3 8 15 14 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 2 4 5 3 1 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 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 1 1 1 0 0 0 !Region 5: Section 4->6 0 1 4 4 2 1 1 0 0 0 0 3 3 2 1 0 0 0 0 0 1 2 2 1 1 1 0 1 7 17 17 8 3 2 1 0 0 3 13 15 10 5 2 1 1 0 1 5 7 9 8 3 2 1 2 12 34 40 19 5 2 1 0 1 5 24 36 24 11 5 2 1 1 2 8 15 19 17 9 2 1 1 17 68100 54 13 3 1 1 1 8 45 84 66 33 11 3 1 0 3 13 29 46 50 23 5 1 1 12 51 95 74 26 7 2 0 0 5 32 81 94 66 26 4 0 0 2 9 30 69 95 50 9 1 1 3 11 29 35 17 6 1 0 0 2 7 25 45 43 24 5 1 0 1 3 10 33 59 45 12 1 0 1 3 7 12 8 3 1 0 0 1 2 6 14 17 12 4 1 0 0 1 3 10 21 24 11 2 0 1 2 3 5 5 1 0 0 0 0 1 3 6 8 6 3 1 0 0 1 2 4 10 14 8 1 0 0 0 1 2 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 1 3 4 2 0 !Region 5: Section 7->9 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 6 3 1 0 0 1 1 1 1 2 1 1 0 0 1 1 1 0 1 1 0 0 0 1 1 4 8 13 9 2 0 0 1 1 1 2 4 3 1 0 0 1 1 0 1 0 1 0 0 0 2 2 4 19 35 19 5 1 0 1 1 1 3 9 6 2 1 0 1 0 0 0 0 0 0 0 0 1 3 6 29 64 40 8 1 0 1 1 2 5 15 12 3 1 0 0 1 0 0 0 1 0 1 0 1 1 3 15 39 37 11 2 0 1 1 1 3 9 11 4 1 0 1 0 0 0 0 1 1 1 0 0 1 2 4 13 21 12 3 0 1 0 1 1 3 7 5 1 0 1 0 0 0 0 0 1 1 0 1 0 1 2 7 14 9 2 0 1 0 0 1 2 5 4 1 0 1 1 0 1 0 0 0 1 0 0 0 0 1 2 4 2 0 0 1 0 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 I/Sigma = 50.75 Thresh = 0.020 Blend = F #Contributing = 26 InitialProfileWt = 0.035 Region 6 Sum = 16601.2; Maximum = 430.615; FM = 0.872 !Region 6: Section 1->3 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 2 2 1 1 0 0 0 1 1 1 1 1 1 1 0 0 1 2 4 3 2 1 1 0 0 1 3 7 8 5 2 1 0 0 1 2 2 2 1 1 1 0 0 2 6 7 5 3 1 1 0 0 2 10 17 16 8 2 1 1 0 1 3 2 2 1 1 1 1 0 2 8 10 8 3 2 2 1 0 2 15 32 35 18 5 2 1 0 1 2 3 2 1 1 2 1 0 1 8 11 8 4 2 2 1 0 2 18 39 41 22 7 2 1 0 1 1 1 2 1 1 2 1 0 1 3 5 4 3 2 2 1 0 1 6 15 16 10 4 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 2 1 2 1 1 0 0 1 2 4 3 2 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 6: Section 4->6 0 1 2 3 2 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 3 9 12 9 4 1 1 1 0 1 5 9 10 7 4 1 1 0 0 1 3 7 8 5 2 1 1 8 21 26 18 7 2 1 1 0 3 11 20 24 16 7 2 1 0 1 3 8 17 21 12 3 1 1 14 45 66 49 21 6 2 1 1 6 26 56 70 50 20 4 1 1 2 6 24 54 64 34 7 1 1 20 59 83 65 29 9 2 1 1 9 35 77100 71 28 5 1 1 2 9 35 80 86 47 11 1 1 8 22 32 30 15 5 1 1 1 4 13 30 47 37 17 4 1 1 1 3 14 37 43 30 10 2 0 2 3 7 9 7 3 1 1 0 1 3 6 13 15 9 3 1 0 1 2 4 11 18 16 8 2 0 1 1 2 2 3 1 1 0 0 0 1 2 5 7 4 2 1 0 0 1 2 5 9 8 5 2 0 0 0 0 1 1 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 1 2 3 2 1 0 !Region 6: Section 7->9 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 4 4 2 1 0 0 1 0 1 1 2 1 1 0 0 0 0 1 1 1 0 0 0 1 1 3 7 13 10 3 1 0 1 1 1 2 3 4 2 1 0 0 0 0 0 1 1 1 0 1 2 3 6 21 39 28 6 1 0 1 2 2 4 9 10 4 1 0 1 1 1 1 0 1 1 1 1 2 3 10 32 50 39 12 2 0 1 2 2 6 12 13 6 2 0 1 1 0 1 0 1 2 1 1 1 2 4 14 24 26 12 3 0 1 2 2 3 6 10 7 3 0 0 1 0 1 0 1 2 1 0 1 1 2 5 11 15 10 3 0 1 1 1 1 3 6 6 3 0 1 1 0 0 1 1 2 2 0 0 1 1 3 6 8 7 3 0 1 1 1 1 2 3 5 2 0 1 0 0 0 1 1 2 1 0 0 0 1 1 2 2 2 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 1 1 1 I/Sigma = 51.32 Thresh = 0.020 Blend = F #Contributing = 40 InitialProfileWt = 0.014 Region 7 Sum = 16102.8; Maximum = 422.519; FM = 0.863 !Region 7: Section 1->3 0 1 0 0 0 0 1 0 0 0 0 1 1 1 0 1 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 0 0 1 1 0 0 1 2 3 1 0 1 0 0 0 1 5 6 4 2 1 1 0 0 0 1 0 0 1 1 0 0 1 4 8 6 2 1 1 0 0 1 7 17 16 8 4 1 1 0 0 1 1 1 1 1 0 0 0 2 8 11 9 4 2 1 1 0 3 14 28 32 16 5 2 2 0 1 1 2 1 1 1 0 1 0 2 9 15 12 5 1 1 1 0 3 19 41 43 19 5 2 1 0 1 1 1 1 1 1 0 0 0 1 5 8 5 2 1 1 0 1 2 11 22 18 9 3 1 1 1 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 2 4 4 2 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 !Region 7: Section 4->6 0 1 1 1 2 1 1 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 1 3 2 0 0 0 1 4 6 7 5 3 1 0 0 1 1 4 8 11 5 2 0 0 0 0 2 6 12 7 3 0 1 5 13 20 18 11 4 2 1 1 1 4 14 29 31 14 4 1 0 1 1 7 24 39 20 5 1 2 10 29 51 45 23 8 3 1 1 3 14 46 86 75 30 6 1 0 1 4 25 83100 47 9 1 2 15 51 78 55 22 7 2 0 1 6 31 78 99 69 26 6 1 1 2 10 43 93 91 44 9 1 1 10 30 37 25 9 3 1 1 1 5 19 39 44 29 14 4 1 0 2 7 21 40 39 24 8 1 1 2 6 8 8 4 2 1 1 0 2 4 10 15 13 7 3 1 0 1 2 6 16 18 12 4 1 0 1 1 2 3 2 1 1 0 0 1 1 3 7 7 4 1 1 0 0 1 3 7 9 5 2 1 0 0 1 1 1 1 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 1 2 2 1 0 0 !Region 7: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 4 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 2 8 18 12 4 1 0 0 1 1 1 2 3 3 2 0 0 0 1 1 0 1 1 1 0 0 1 6 31 49 29 7 1 0 0 1 1 3 6 6 3 1 0 0 1 1 1 1 1 1 1 0 1 2 11 34 46 30 9 2 0 0 1 1 3 7 8 6 2 0 0 1 1 1 1 1 2 1 0 1 2 6 15 21 20 9 2 0 0 1 1 2 4 8 8 3 0 0 0 1 1 1 2 4 1 0 1 1 2 7 10 10 6 2 0 1 1 1 1 3 5 7 3 0 1 1 1 1 1 2 4 2 0 0 0 1 3 5 4 2 1 0 0 0 1 1 2 3 3 1 0 0 0 1 1 1 1 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 67.27 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.002 Region 8 Sum = 26089.6; Maximum = 943.039; FM = 0.873 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 1 1 1 0 0 0 1 2 3 2 1 1 0 0 0 1 1 1 1 1 0 0 0 0 2 5 4 2 1 0 0 0 0 3 8 9 5 2 1 1 0 0 1 2 1 1 1 0 0 0 1 5 9 7 2 1 0 0 0 1 7 18 20 9 3 1 1 0 0 1 2 1 1 0 0 0 0 1 5 11 9 3 1 1 0 0 1 8 25 30 12 3 1 1 0 0 1 1 1 1 0 0 0 0 1 3 7 5 2 1 1 0 0 1 5 16 17 6 2 1 1 0 0 0 1 1 1 1 0 0 0 0 1 2 2 1 1 1 0 0 0 2 4 3 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 2 2 1 0 0 0 1 2 4 6 3 1 0 0 0 1 1 3 10 9 3 1 0 0 1 1 2 8 9 3 1 0 0 2 6 14 19 10 2 1 0 0 1 3 15 38 29 7 1 0 0 1 1 9 33 32 8 1 0 0 4 15 40 46 19 3 1 0 0 1 7 51100 56 11 2 0 0 1 3 31 87 62 15 2 0 1 5 26 63 50 15 3 1 0 0 2 16 78100 42 8 2 1 0 1 7 45 81 48 13 2 1 0 4 18 36 23 7 2 1 0 0 2 11 40 43 20 5 1 0 0 1 4 21 33 23 8 2 0 0 1 4 7 7 3 1 0 0 0 1 3 10 15 9 3 1 0 0 1 1 6 12 11 4 1 0 0 1 1 1 2 1 0 0 0 0 1 1 2 4 3 1 1 0 0 0 1 2 4 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 !Region 8: Section 7->9 0 0 0 0 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 1 1 3 4 2 1 0 0 1 1 1 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 1 1 3 11 14 5 2 0 0 1 1 1 2 2 3 2 1 0 0 0 0 0 1 1 1 0 0 1 1 7 28 26 9 3 1 0 0 1 1 3 4 5 3 1 0 0 0 1 0 1 2 1 0 0 1 2 9 24 22 11 4 1 0 0 1 1 3 6 7 4 1 0 0 0 0 1 1 2 2 0 0 1 1 4 10 12 9 4 1 0 0 1 1 2 4 8 6 1 0 0 0 0 1 1 3 3 1 0 0 1 2 4 6 6 4 1 0 0 0 1 1 2 6 5 1 0 0 0 0 0 1 3 2 1 0 0 0 1 2 2 2 1 0 0 0 0 1 1 1 2 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 175.51 Thresh = 0.020 Blend = F #Contributing = 126 InitialProfileWt = 0.000 Region 9 Sum = 142770; Maximum = 9579.97; FM = 0.838 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 4 1 0 0 0 0 1 5 20 16 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 10 9 1 0 0 0 0 1 7 32 37 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 1 0 0 0 0 0 3 12 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 6 6 1 0 0 0 0 0 1 7 11 3 0 0 0 0 0 1 4 9 3 1 0 0 0 1 5 30 41 8 1 0 0 0 0 3 33 61 15 1 0 0 0 0 1 20 43 15 1 0 0 0 1 8 49 80 19 1 0 0 0 0 5 49100 30 2 0 0 0 0 2 29 67 27 3 0 0 0 0 4 18 34 10 1 0 0 0 0 2 16 42 16 2 0 0 0 0 1 9 28 16 3 0 0 0 0 1 2 3 1 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 1 4 4 1 0 0 0 0 0 0 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 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 8 2 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 7 21 16 4 0 0 0 0 0 1 4 6 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 9 11 4 1 0 0 0 0 0 2 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 5 Total topped/rescanned pixels: 97 Minimum pixel ceiling(frame): 163809(neal054_08_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_08_0001.sfrm) Total spots predicted: 862 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 102* Outside frame limits: 51* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 5* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 703 Total spot components written: 703 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 703 Twin overlaps written: 0 Average Intensity: 49626.18 Average I/sigma: 75.595 % over "strong" threshold: 92.46 % less than 2 sigma: 0.71 % which spanned more than 1 frame: 86.06 Average X,Y,Z positional errors: 0.10 -0.10 -0.01 RMS X,Y,Z positional errors: 0.52 0.33 0.14 % X,Y,Z more than 0.5 pixel: 7.82 5.41 0.71 % X,Y,Z more than 1.0 pixel: 3.70 2.28 0.43 Avg % profile volume populated: 97.36 Avg % profile volume integrated: 17.58 Avg % profile missing I: 2.57 Avg % profile missing volume: 2.64 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 3.71 3.65 3.28 Average spot-shape correlation: 0.768 RMS spot-shape correlation: 0.781 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.002 0.000 1 1.0 2.0 0.518 0.113 4 2.0 4.0 0.479 0.178 7 4.0 8.0 0.713 0.124 31 8.0 16.0 0.747 0.137 55 16.0 32.0 0.755 0.116 140 32.0 64.0 0.770 0.132 225 64.0 128.0 0.813 0.141 170 128.0 256.0 0.877 0.081 70 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): 125.764 Elapsed since INTEGRATE command (sec): 124.288 Integration time, this run (sec): 4.530 Time in unit-cell LS (sec): 0.025 Per-frame integration time (sec): 0.056 Integration completed normally ======================== 10/26/2021 10:23:59 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1089689 will be applied to LS-fit intensities Number of spots read: 703 Number of LS-fit intensities scaled: 49 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 703 Sorting Reflection File ============================== 10/26/2021 10:23:59 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_08.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... 703 spot components in 703 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 703 spot components in 703 spots written to file /smb/isengard/data/neal054/work/neal054_08.raw Computing Reflection File Statistics ========== 10/26/2021 10:23:59 Integration of neal054 ................................................................................... Statistics for reflections in neal054_08.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 703 Number of reflection records read = 703 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 703 Number of spot components used = 703 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_08.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 6.244 11.747 13.023 90.000 96.787 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 0 16 0 0.0 10122.344 23.17 10.72 0.000 0.000 0.0 0.000 0.000 0.00 1.8 .07-.04 2.8 1.3 .60 32.000 21 0 21 0 0.0 14948.181 31.97 10.81 0.000 0.000 0.0 0.000 0.000 0.00 .30-.29-.03 1.1 .48 .18 64.000 29 0 29 0 0.0 12726.080 28.40 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .07-.22-.02 .68 .41 .15 96.000 45 0 45 0 0.0 18005.762 33.13 11.05 0.000 0.000 0.0 0.000 0.000 0.00 .09-.16-.02 .43 .36 .11 128.000 66 0 66 0 0.0 23181.255 39.01 11.32 0.000 0.000 0.0 0.000 0.000 0.00 .06-.14-.01 .31 .44 .09 160.000 83 3 80 6 0.0 26442.946 41.43 11.68 0.061 0.000 2.9 0.000 0.123 0.00 .06-.12-.02 .17 .22 .09 192.000 103 10 93 20 1.0 38355.485 53.42 12.20 0.078 0.000 4.0 0.000 0.154 0.00 .10-.08-.01 .16 .28 .14 224.000 116 18 99 35 0.0 53456.104 69.47 12.66 0.107 0.001 7.4 0.000 0.228 0.00 .13-.07-.01 .15 .13 .06 256.000 98 24 79 43 3.1 74947.327 98.66 13.30 0.110 0.003 10.4 0.000 0.240 0.00-.06-.07-.00 .09 .14 .07 288.000 65 20 53 32 1.5 96460.091 136.57 14.48 0.101 -0.012 12.8 0.000 0.227 0.00-.03-.09 .00 .15 .20 .08 320.000 33 11 29 15 0.0 104326.85 169.06 13.99 0.137 0.040 19.7 0.000 0.286 0.00 .02-.06 .02 .06 .11 .10 352.000 18 5 15 8 0.0 95114.489 186.32 14.34 0.161 -0.047 33.5 0.000 0.372 0.00 .01-.06-.01 .09 .10 .09 384.000 7 1 7 1 0.0 70718.113 202.07 12.87 0.071 -0.012 13.7 0.000 0.141 0.00 .00-.07-.04 .13 .12 .15 416.000 3 0 3 0 0.0 32542.199 179.46 13.28 0.000 0.000 0.0 0.000 0.000 0.00-.03-.02-.17 .07 .05 .17 448.000 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_08.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 21 0 21 0 0.0 22082.229 47.15 10.97 0.000 0.000 0.0 0.000 0.000 0.00 .21 .00-.01 .56 .60 .13 32.000 41 0 41 0 0.0 36116.585 67.96 11.32 0.000 0.000 0.0 0.000 0.000 0.00 .34-.00-.04 1.2 .59 .20 64.000 68 0 68 0 0.0 39793.680 66.92 11.71 0.000 0.000 0.0 0.000 0.000 0.00 .12-.09-.00 .31 .21 .25 96.000 83 5 82 6 0.0 49032.982 78.30 12.43 0.129 0.008 9.1 0.000 0.249 0.00 .07-.10-.01 .42 .18 .09 128.000 107 22 98 31 0.9 54755.930 74.33 13.15 0.142 0.002 11.8 0.000 0.283 0.00 .04-.10 .01 .20 .12 .08 160.000 109 33 102 40 0.0 63750.372 86.40 13.51 0.108 0.004 12.7 0.000 0.217 0.00 .03-.06-.01 .27 .09 .09 192.000 97 34 93 38 4.1 62542.607 86.09 13.01 0.092 -0.011 10.4 0.000 0.199 0.00 .01-.05 .01 .31 .16 .16 224.000 79 19 77 21 0.0 43085.435 70.07 12.25 0.100 0.007 9.6 0.000 0.225 0.00 .09-.07-.04 .42 .20 .09 256.000 53 13 52 14 0.0 39945.026 64.76 11.56 0.113 0.026 8.5 0.000 0.227 0.00 .14-.12-.02 .63 .29 .06 288.000 32 8 32 8 0.0 41661.722 72.49 11.24 0.144 -0.057 15.4 0.000 0.289 0.00 .18-.25-.05 1.0 .69 .13 320.000 13 2 13 2 0.0 34242.015 48.64 11.15 0.184 -0.021 12.0 0.000 0.367 0.00 .60-1.1-.07 .94 1.2 .21 352.000 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_08.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 24 10 23 11 0.0 52579.200 72.24 12.30 0.089 0.002 7.2 0.000 0.204 0.00 .02-.01-.01 .11 .08 .06 30.000 75 28 68 35 2.7 57276.723 82.10 12.67 0.059 -0.003 5.3 0.000 0.130 0.00 .02-.03-.02 .11 .11 .08 60.000 114 42 105 51 1.8 66786.004 86.64 13.15 0.121 -0.007 12.6 0.000 0.229 0.00 .01-.10-.01 .16 .25 .13 90.000 119 34 112 41 0.8 66696.982 87.21 13.36 0.130 0.011 14.0 0.000 0.256 0.00 .04-.08-.00 .12 .12 .08 120.000 111 17 108 20 0.0 49886.572 75.75 12.80 0.121 0.000 12.7 0.000 0.246 0.00 .05-.12 .01 .25 .34 .09 150.000 93 2 93 2 0.0 40551.768 66.47 11.97 0.289 -0.005 27.6 0.000 0.579 0.00 .11-.15-.01 .30 .26 .09 180.000 74 0 74 0 0.0 30100.221 55.18 11.54 0.000 0.000 0.0 0.000 0.000 0.00 .17-.13-.04 .55 .26 .12 210.000 47 0 47 0 0.0 31703.947 62.95 11.19 0.000 0.000 0.0 0.000 0.000 0.00 .09-.16 .01 .55 .35 .16 240.000 33 0 33 0 0.0 19289.472 43.63 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .41-.24-.05 1.4 .80 .15 270.000 13 0 13 0 0.0 9438.531 22.59 10.71 0.000 0.000 0.0 0.000 0.000 0.00 1.1 .42 .01 2.2 1.0 .63 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 71 8 69 10 0.0 28818.701 47.27 11.27 0.122 -0.009 5.7 0.000 0.245 0.00 .34-.36-.03 .95 .73 .12 2.000 27 8 21 14 0.0 68491.848 109.12 11.74 0.129 -0.007 15.0 0.000 0.307 0.00-.11-.07-.06 .14 .21 .11 3.000 408 28 385 51 0.2 33052.224 50.62 11.90 0.093 0.002 5.9 0.000 0.192 0.00 .13-.07-.01 .54 .28 .16 4.000 197 43 155 85 2.0 88898.296 128.82 14.10 0.115 0.000 14.4 0.000 0.238 0.00-.02-.07 .01 .10 .14 .08 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 226 58 181 103 1.8 63291.425 84.85 12.93 0.102 -0.001 9.9 0.000 0.221 0.00 .01-.07-.01 .14 .20 .11 2.000 10 2 10 2 0.0 68119.080 184.11 13.06 0.265 -0.068 42.2 0.000 0.530 0.00-.00-.05-.09 .10 .10 .13 3.000 2 1 2 1 0.0 118887.20 160.37 11.48 0.259 -0.172 54.1 0.000 0.518 0.00-.16-.24-.14 .20 .25 .15 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 7 0 7 0 0.0 20393.900 31.56 11.11 0.000 0.000 0.0 0.000 0.000 0.00 .55-.93-.08 .86 1.3 .15 6.000 65 0 65 0 0.0 17596.885 32.92 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .36-.27-.01 1.1 .60 .16 7.000 176 4 174 6 0.0 21813.700 37.99 11.45 0.066 -0.000 3.2 0.000 0.129 0.00 .14-.06-.02 .72 .34 .20 8.000 170 17 160 27 0.6 56372.766 79.77 12.69 0.142 0.009 9.3 0.000 0.291 0.00 .08-.10-.00 .15 .23 .08 9.000 47 11 37 21 0.0 105568.43 175.07 15.01 0.107 0.002 17.2 0.000 0.189 0.00 .02-.06 .03 .06 .10 .10 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.000 36 1 36 1 0.0 46745.008 75.69 12.70 0.177 -0.006 25.0 0.000 0.353 0.00 .07 .01 .09 .30 .20 .32 5.860 33 1 33 1 3.0 38237.047 64.27 12.14 0.062 0.005 9.3 0.000 0.124 0.00 .14-.08-.02 .37 .38 .10 9.719 44 4 44 4 0.0 48549.784 77.60 12.45 0.117 0.014 22.2 0.000 0.235 0.00 .08-.10 .03 .72 .32 .09 13.579 24 1 24 1 0.0 44642.596 71.92 12.42 0.053 -0.011 13.2 0.000 0.106 0.00 .10-.02-.03 .44 .12 .09 17.438 45 6 45 6 2.2 46517.784 74.95 12.49 0.214 -0.012 29.4 0.000 0.427 0.00 .01 .04-.06 .24 .28 .13 21.298 30 2 30 2 0.0 22565.960 44.07 12.21 0.144 0.017 11.3 0.000 0.287 0.00 .17 .07-.04 .89 .41 .11 25.157 41 8 41 8 0.0 48532.813 86.17 12.60 0.091 0.014 14.5 0.000 0.181 0.00 .11-.10-.06 .91 .56 .11 29.017 38 6 38 6 0.0 42060.837 63.24 12.38 0.091 0.016 8.0 0.000 0.182 0.00 .09-.17-.01 .55 .27 .08 32.876 30 6 30 6 0.0 42380.594 67.53 12.51 0.117 0.060 12.1 0.000 0.233 0.00 .15-.18-.02 .40 .54 .08 36.736 41 7 41 7 0.0 55130.721 74.34 12.35 0.056 0.014 6.7 0.000 0.112 0.00 .03-.21-.03 .15 .34 .11 40.595 26 3 26 3 0.0 58050.315 84.33 12.49 0.067 0.009 6.5 0.000 0.133 0.00 .33-.03-.08 1.1 .49 .23 44.455 32 7 32 7 0.0 63915.159 81.65 12.37 0.106 0.032 9.6 0.000 0.211 0.00 .07-.22-.00 .21 .28 .06 48.314 38 13 38 13 2.6 62127.403 87.79 12.61 0.129 -0.001 13.5 0.000 0.257 0.00-.00-.17 .02 .36 .25 .19 52.174 37 12 37 12 0.0 45923.998 72.51 12.39 0.105 0.005 8.8 0.000 0.209 0.00 .16-.04-.01 .46 .29 .09 56.033 39 12 39 12 0.0 50398.828 73.77 12.16 0.069 -0.020 9.2 0.000 0.139 0.00 .17-.09-.02 .60 .30 .13 59.893 35 12 35 12 0.0 73963.114 92.98 12.69 0.086 -0.024 7.6 0.000 0.171 0.00 .08-.14-.02 .16 .17 .10 63.752 34 13 34 13 0.0 46783.200 70.82 12.32 0.139 -0.020 9.6 0.000 0.278 0.00 .05-.12-.01 .26 .18 .09 67.612 39 18 39 18 2.6 34593.206 62.38 12.62 0.121 -0.048 8.7 0.000 0.242 0.00 .12-.14-.01 .42 .26 .08 71.471 27 10 27 10 0.0 55217.730 74.19 12.47 0.085 0.019 7.8 0.000 0.171 0.00 .16-.20 .03 .28 .33 .13 75.331 34 18 34 18 2.9 66225.939 88.48 12.50 0.155 -0.034 13.4 0.000 0.309 0.00 .01-.10 .02 .29 .15 .13 79.190 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 2 0 2 0 0.0 61333.950 76.54 11.99 0.000 0.000 0.0 0.000 0.000 0.00 .28-.10 .01 .33 .17 .02 60.000 96 6 96 6 1.0 46212.654 75.76 12.58 0.114 0.006 20.5 0.000 0.229 0.00 .08-.04 .04 .36 .29 .21 70.000 86 8 86 8 1.2 43945.383 70.95 12.35 0.175 -0.009 24.8 0.000 0.350 0.00 .07-.02-.04 .54 .28 .11 80.000 100 13 100 13 0.0 39574.259 66.95 12.32 0.096 0.016 13.4 0.000 0.192 0.00 .12-.08-.04 .83 .45 .11 90.000 81 15 81 15 0.0 48000.437 71.37 12.49 0.085 0.027 8.3 0.000 0.170 0.00 .14-.16-.04 .64 .49 .15 100.000 92 22 92 22 1.1 62305.933 84.84 12.46 0.113 0.014 11.5 0.000 0.226 0.00 .06-.18-.00 .32 .25 .13 110.000 99 31 99 31 0.0 54204.702 79.71 12.40 0.088 -0.016 9.6 0.000 0.177 0.00 .14-.09-.02 .47 .27 .11 120.000 91 39 91 39 1.1 43944.341 69.13 12.52 0.120 -0.028 8.3 0.000 0.239 0.00 .10-.13-.01 .33 .22 .08 130.000 56 26 56 26 1.8 64508.685 84.36 12.46 0.129 -0.012 11.4 0.000 0.258 0.00 .07-.15 .02 .30 .26 .14 140.000 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_08.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 6.220 79 3 79 3 1.3 41276.539 68.74 12.44 0.122 -0.002 17.0 0.000 0.245 0.00 .11-.05 .04 .39 .32 .23 6.270 83 8 83 8 1.2 48404.847 75.95 12.45 0.124 0.022 20.2 0.000 0.248 0.00 .03-.04-.02 .54 .21 .11 6.320 82 10 82 10 0.0 38841.861 70.25 12.42 0.132 -0.024 17.0 0.000 0.265 0.00 .14 .01-.05 .84 .50 .11 6.370 75 14 75 14 0.0 44099.429 68.68 12.47 0.119 0.037 13.6 0.000 0.237 0.00 .08-.13-.01 .45 .27 .08 6.420 85 16 85 16 0.0 55186.526 75.54 12.36 0.064 0.017 6.8 0.000 0.128 0.00 .14-.17-.05 .63 .46 .16 6.470 66 19 66 19 1.5 65238.068 91.38 12.60 0.125 0.000 13.5 0.000 0.250 0.00 .03-.18 .02 .31 .26 .15 6.520 82 24 82 24 0.0 51587.778 75.63 12.29 0.085 -0.011 9.3 0.000 0.171 0.00 .15-.09-.02 .52 .29 .11 6.570 82 33 82 33 1.2 47814.131 72.97 12.49 0.110 -0.025 8.2 0.000 0.220 0.00 .09-.13-.01 .34 .22 .09 6.620 68 32 68 32 1.5 57463.615 79.78 12.50 0.134 -0.014 10.8 0.000 0.267 0.00 .08-.15 .02 .28 .25 .13 6.670 1 1 1 1 0.0 67691.297 76.97 13.74 0.181 -0.181 13.9 0.000 0.362 0.00-.10-.06-.01 .10 .06 .01 6.720 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.770 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.820 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.870 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.920 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.970 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.020 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 7.070 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.120 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.170 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.220 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9.000 703 80 623 160 0.7 49635.390 75.43 12.45 0.112 0.000 11.2 0.000 0.233 0.00 .10-.10-.01 .52 .33 .14 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1 1 1 1100.0 13.572 0.16 14.7515.662-15.662 2.5 0.00031.325 0.00-.14-.11 .09 .14 .11 .09 0.100 1 0 1 0 0.0 510.319 3.00 10.90 0.000 0.000 0.0 0.000 0.000 0.00-.45-.11 .04 .45 .11 .04 0.200 1 0 1 0 0.0 595.367 3.07 11.41 0.000 0.000 0.0 0.000 0.000 0.00 .26-.23-.11 .26 .23 .11 0.300 3 0 3 0 33.3 504.294 3.18 12.77 0.000 0.000 0.0 0.000 0.000 0.00 .25 .09-.05 .34 .11 .17 0.400 31 3 31 3 3.2 35154.160 53.73 12.32 0.164 -0.014 12.0 0.000 0.329 0.00 .06-.07-.01 .47 .14 .10 0.500 57 10 57 10 1.8 36685.982 53.58 12.38 0.111 -0.002 6.4 0.000 0.222 0.00 .11-.12-.02 .54 .24 .08 0.600 124 26 119 31 0.8 42669.144 63.08 12.30 0.069 0.002 5.9 0.000 0.151 0.00 .09-.08 .01 .45 .26 .14 0.700 132 25 127 30 0.0 40507.892 65.76 12.21 0.096 0.000 11.3 0.000 0.179 0.00 .09-.11-.00 .40 .35 .19 0.800 234 41 225 50 0.0 52092.717 75.87 12.43 0.130 0.000 12.0 0.000 0.247 0.00 .16-.10-.03 .69 .41 .13 0.900 119 29 113 35 0.0 74642.489 116.15 12.94 0.132 0.001 16.1 0.000 0.249 0.00 .00-.10-.01 .19 .25 .09 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 686 80 606 160 0.7 50227.705 76.26 12.48 0.112 0.000 11.2 0.000 0.233 0.00 .06-.08-.01 .34 .22 .10 0.050 1 0 1 0 0.0 22967.199 38.61 11.29 0.000 0.000 0.0 0.000 0.000 0.00 .09-.62-.10 .09 .62 .10 0.100 5 0 5 0 0.0 9308.840 20.55 11.03 0.000 0.000 0.0 0.000 0.000 0.00 1.8-1.6-.16 2.6 1.8 .19 0.150 1 0 1 0 0.0 7581.600 19.34 10.68 0.000 0.000 0.0 0.000 0.000 0.00 4.6 2.1-.33 4.6 2.1 .33 0.200 1 0 1 0 0.0 12787.300 25.65 10.69 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .41 1.9 1.2 .41 1.9 0.250 1 0 1 0 0.0 4380.400 10.22 10.60 0.000 0.000 0.0 0.000 0.000 0.00 .62 .41 .03 .62 .41 .03 0.300 3 0 3 0 0.0 37776.066 49.65 10.92 0.000 0.000 0.0 0.000 0.000 0.00 1.8-1.1 .10 2.5 1.2 .33 0.350 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.400 1 0 1 0 0.0 79515.398 109.72 11.30 0.000 0.000 0.0 0.000 0.000 0.00-.06-.17-.06 .06 .17 .06 0.450 1 0 1 0 0.0 100171.00 76.00 11.18 0.000 0.000 0.0 0.000 0.000 0.00-.17-.86-.11 .17 .86 .11 0.500 3 0 3 0 0.0 16732.767 22.52 10.94 0.000 0.000 0.0 0.000 0.000 0.00 2.7-.63-.52 3.2 2.2 .67 0.550 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 39 8 38 9 0.0 53369.047 84.19 12.39 0.084 -0.015 8.1 0.000 0.167 0.00 .02-.13 .02 .34 .33 .13 0.050 35 7 35 7 0.0 41735.011 71.96 12.29 0.087 -0.035 8.4 0.000 0.173 0.00 .07-.10-.01 .25 .19 .09 0.100 38 6 38 6 0.0 42388.427 72.19 12.56 0.086 -0.002 13.3 0.000 0.172 0.00 .06-.04 .00 .29 .21 .08 0.150 33 8 33 8 6.1 45608.009 72.01 12.64 0.155 -0.025 15.4 0.000 0.310 0.00 .07-.11 .07 .44 .24 .35 0.200 42 5 42 5 0.0 43991.031 63.25 12.06 0.085 0.005 6.2 0.000 0.170 0.00 .10-.09 .00 .29 .21 .09 0.250 29 8 29 8 0.0 58859.114 94.31 12.40 0.155 0.045 17.7 0.000 0.310 0.00 .25-.10-.04 .80 .31 .12 0.300 37 10 36 11 0.0 68343.087 83.18 12.90 0.115 0.033 12.2 0.000 0.240 0.00 .14-.06 .01 .50 .26 .10 0.350 29 8 29 8 0.0 61800.237 89.35 13.07 0.144 0.003 12.9 0.000 0.287 0.00 .06 .02-.04 .19 .35 .11 0.400 36 8 36 8 0.0 46984.069 69.61 12.08 0.119 -0.037 10.7 0.000 0.238 0.00 .08-.07-.01 .20 .21 .07 0.450 49 9 49 9 2.0 52618.014 75.15 12.14 0.107 0.016 11.3 0.000 0.214 0.00 .19-.14-.03 .59 .27 .11 0.500 40 8 40 8 0.0 53641.717 77.64 12.40 0.186 -0.017 22.5 0.000 0.371 0.00 .17-.04-.03 .84 .40 .20 0.550 36 9 36 9 0.0 62775.132 83.19 12.49 0.113 -0.007 12.4 0.000 0.227 0.00 .12-.03 .01 .48 .27 .19 0.600 25 7 24 8 0.0 40810.448 59.26 12.14 0.087 -0.005 5.0 0.000 0.147 0.00 .05-.11-.04 .20 .19 .10 0.650 40 10 40 10 0.0 62534.830 90.46 13.14 0.168 -0.022 16.9 0.000 0.336 0.00-.06-.12 .01 .21 .21 .11 0.700 31 11 31 11 0.0 67023.177 93.88 12.89 0.097 0.025 10.4 0.000 0.193 0.00 .24-.00-.06 .93 .42 .10 0.750 29 4 29 4 0.0 36707.041 60.65 12.31 0.066 0.006 10.8 0.000 0.133 0.00 .08-.28-.03 .56 .66 .11 0.800 39 9 39 9 0.0 36117.938 59.96 12.44 0.077 -0.001 8.1 0.000 0.154 0.00 .17-.16-.02 .87 .55 .08 0.850 29 3 29 3 0.0 54686.996 86.21 12.27 0.031 -0.001 4.5 0.000 0.062 0.00 .12-.23-.04 .40 .46 .09 0.900 35 7 35 7 0.0 26690.935 51.74 12.11 0.086 0.010 8.1 0.000 0.172 0.00-.05-.11 .01 .45 .22 .12 0.950 32 12 32 12 6.2 34138.537 58.55 12.27 0.080 0.015 4.8 0.000 0.160 0.00 .09-.10-.03 .28 .19 .11 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.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 .00 662.348 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1324.695 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2649.391 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5298.781 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10597.562 108 17 97 28 4.6 14020.330 31.32 12.90 0.165 -0.014 5.5 0.000 0.361 0.00 .05-.06-.01 .17 .16 .15 21195.125 315 44 289 70 0.0 40376.467 57.81 12.41 0.106 -0.003 7.7 0.000 0.230 0.00 .06-.08-.01 .18 .15 .08 42390.250 197 25 187 35 0.0 52251.751 79.36 11.95 0.120 0.006 13.8 0.000 0.244 0.00 .06-.13-.02 .49 .35 .12 84780.500 68 14 60 22 0.0 105309.14 138.90 12.99 0.103 -0.001 21.9 0.000 0.222 0.00 .48-.15-.01 1.4 .78 .29 169561.000 15 4 14 5 0.0 213752.03 247.76 13.84 0.120 0.002 27.3 0.000 0.276 0.00 .01-.12-.03 .12 .15 .13 339122.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.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 1.712 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.425 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.137 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.849 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.562 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.274 342 15 335 22 0.0 26584.987 46.89 11.30 0.119 -0.008 9.0 0.000 0.250 0.00 .16-.14-.02 .73 .45 .17 11.986 239 41 215 65 0.4 52471.119 71.94 12.73 0.105 0.005 7.7 0.000 0.223 0.00 .07-.06-.01 .13 .10 .10 13.698 72 26 61 37 5.6 100499.45 129.82 14.37 0.126 -0.011 14.7 0.000 0.284 0.00-.03-.07 .00 .08 .10 .08 15.411 50 21 35 36 0.0 120501.11 156.13 16.15 0.104 0.016 15.1 0.000 0.231 0.00-.03-.09 .03 .16 .20 .08 17.123 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 0 0.0 3724.100 13.15 10.74 0.000 0.000 0.0 0.000 0.000 0.00-1.9-.63 .22 1.9 .63 .22 -1.380 2 0 2 0 0.0 7412.050 20.89 10.76 0.000 0.000 0.0 0.000 0.000 0.00-1.3 .06 .25 1.3 .21 .44 -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 2 1 2 1 0.0 7601.950 24.21 13.20 0.666 -0.236 16.6 0.000 1.333 0.00-1.1-.68 .18 1.1 .91 .21 -1.020 2 0 2 0 0.0 1767.250 7.17 10.99 0.000 0.000 0.0 0.000 0.000 0.00-.93 .32 .20 .93 .71 .22 -0.900 3 0 3 0 0.0 5413.467 16.77 10.91 0.000 0.000 0.0 0.000 0.000 0.00-.85-.40 .17 .85 .51 .19 -0.780 3 0 3 0 0.0 13351.299 29.77 10.77 0.000 0.000 0.0 0.000 0.000 0.00-.75-.38-.03 .75 .57 .17 -0.660 2 0 2 0 0.0 7232.450 19.58 11.03 0.000 0.000 0.0 0.000 0.000 0.00-.59 .33 .26 .60 .50 .27 -0.540 10 0 10 0 0.0 11431.322 27.53 10.96 0.000 0.000 0.0 0.000 0.000 0.00-.48-.24 .10 .48 .39 .13 -0.420 10 1 10 1 0.0 12090.536 29.16 11.28 0.951 -0.004 2.3 0.000 1.902 0.00-.35-.14 .17 .35 .32 .38 -0.300 18 4 18 4 0.0 28850.128 57.69 11.29 0.214 -0.128 27.6 0.000 0.428 0.00-.24-.15-.01 .24 .22 .12 -0.180 85 21 74 32 2.4 61309.837 85.40 12.70 0.100 -0.015 11.1 0.000 0.253 0.00-.11-.05-.01 .11 .13 .07 -0.060 243 39 215 67 1.2 67795.783 98.89 13.24 0.120 0.008 14.4 0.000 0.245 0.00 .00-.07-.00 .04 .12 .08 0.060 204 28 187 45 0.0 45652.263 63.34 12.30 0.088 0.001 6.3 0.000 0.189 0.00 .12-.10-.01 .12 .15 .07 0.180 59 8 59 8 0.0 39754.635 60.35 11.85 0.147 0.002 6.3 0.000 0.295 0.00 .23-.16-.03 .23 .20 .09 0.300 14 1 14 1 0.0 13759.336 29.68 11.36 0.328 0.002 1.9 0.000 0.655 0.00 .36-.23-.14 .36 .51 .16 0.420 11 1 11 1 0.0 8461.754 22.03 11.11 0.119 0.007 1.7 0.000 0.238 0.00 .48 .20-.14 .48 .62 .18 0.540 8 0 8 0 0.0 15016.390 30.31 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .57-.11-.11 .57 .48 .14 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 3 0 3 0 0.0 6751.733 17.36 11.01 0.000 0.000 0.0 0.000 0.000 0.00 .82-.56-.12 .82 .75 .12 0.900 3 0 3 0 0.0 13429.966 28.84 10.97 0.000 0.000 0.0 0.000 0.000 0.00 .96-.46-.07 .96 .60 .09 1.020 2 0 2 0 0.0 6438.600 18.22 10.90 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.33-.15 1.1 .65 .15 1.140 4 0 4 0 0.0 25504.875 33.88 10.86 0.000 0.000 0.0 0.000 0.000 0.00 1.2-.52 .52 1.2 1.2 .98 1.260 2 0 2 0 0.0 13560.700 32.35 10.84 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.15-.19 1.3 .66 .22 1.380 12 0 12 0 0.0 6534.325 16.36 10.77 0.000 0.000 0.0 0.000 0.000 0.00 3.1-.25-.30 3.4 1.7 .40 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 6 0 6 0 0.0 17314.917 26.84 10.99 0.000 0.000 0.0 0.000 0.000 0.00 2.3-2.0-.11 2.9 2.1 .31 -1.380 2 1 2 1 0.0 4711.350 17.99 13.13 0.666 -0.381 16.6 0.000 1.333 0.00 1.1-1.3-.02 2.4 1.3 .30 -1.260 1 0 1 0 0.0 8819.300 18.99 11.19 0.000 0.000 0.0 0.000 0.000 0.00 .79-1.2-.10 .79 1.2 .10 -1.140 2 0 2 0 0.0 12850.550 24.95 10.95 0.000 0.000 0.0 0.000 0.000 0.00 1.4-1.1-.06 1.6 1.1 .07 -1.020 3 0 3 0 0.0 16066.933 33.64 10.96 0.000 0.000 0.0 0.000 0.000 0.00-.12-.94 .12 .76 .94 .19 -0.900 3 0 3 0 0.0 45248.100 57.00 10.94 0.000 0.000 0.0 0.000 0.000 0.00 .72-.85-.11 .96 .85 .12 -0.780 4 0 4 0 0.0 2826.900 10.81 10.96 0.000 0.000 0.0 0.000 0.000 0.00-.31-.70 .07 .54 .70 .17 -0.660 6 1 6 1 0.0 17054.466 34.66 11.05 0.098 0.027 4.8 0.000 0.196 0.00-.23-.60 .00 .82 .60 .12 -0.540 6 1 6 1 0.0 18918.283 38.38 11.12 0.119 0.006 1.7 0.000 0.238 0.00 .10-.46-.05 .57 .46 .12 -0.420 23 1 23 1 0.0 22989.861 45.15 11.16 0.259 -0.077 54.1 0.000 0.518 0.00 .14-.34-.03 .56 .34 .11 -0.300 90 11 90 11 0.0 44923.875 67.30 11.73 0.138 0.000 8.8 0.000 0.277 0.00 .08-.22-.03 .20 .22 .10 -0.180 246 58 221 83 1.2 58148.115 79.10 12.81 0.111 0.003 9.9 0.000 0.218 0.00 .05-.12-.01 .18 .12 .08 -0.060 242 43 231 54 0.0 57213.446 85.72 12.85 0.098 0.001 12.6 0.000 0.205 0.00 .02-.01-.00 .20 .04 .11 0.060 44 7 44 7 4.5 32860.518 62.56 12.03 0.191 -0.004 16.1 0.000 0.382 0.00 .06 .10-.02 .24 .10 .08 0.180 8 1 8 1 0.0 6716.474 20.81 11.63 0.362 0.004 1.9 0.000 0.724 0.00 .17 .23 .02 .95 .24 .25 0.300 6 0 6 0 0.0 11024.534 24.84 10.89 0.000 0.000 0.0 0.000 0.000 0.00 .45 .36 .27 .66 .36 .77 0.420 2 0 2 0 0.0 1252.950 6.04 11.42 0.000 0.000 0.0 0.000 0.000 0.00 .89 .51-.29 .99 .51 .29 0.540 1 0 1 0 0.0 7746.200 20.84 10.76 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .61-.19 1.2 .61 .19 0.660 2 0 2 0 0.0 1483.696 6.55 11.00 0.000 0.000 0.0 0.000 0.000 0.00-.03 .70 .02 .52 .70 .16 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 1 0 1 0 0.0 1476.000 6.31 11.04 0.000 0.000 0.0 0.000 0.000 0.00-.93 .95 .27 .93 .95 .27 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 2 0 2 0 0.0 8597.150 22.16 10.63 0.000 0.000 0.0 0.000 0.000 0.00 2.5 1.2-.23 2.5 1.2 .24 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 3 0 3 0 0.0 5040.100 13.08 10.78 0.000 0.000 0.0 0.000 0.000 0.00 3.5 2.0-.61 4.0 2.1 .71 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 0 1 0 0.0 5597.300 10.59 10.63 0.000 0.000 0.0 0.000 0.000 0.00 5.2 2.3-1.1 5.2 2.3 1.1 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.540 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 -0.420 10 3 10 3 0.0 14997.960 41.12 11.29 0.088 -0.027 6.5 0.000 0.177 0.00 1.0 .15-.35 1.9 .96 .35 -0.300 27 5 26 6 3.7 14809.401 42.16 11.74 0.288 -0.115 17.2 0.000 0.574 0.00 .67-.33-.23 1.5 .97 .24 -0.180 133 29 125 37 0.0 50024.478 74.58 12.18 0.087 0.009 8.4 0.000 0.197 0.00 .19-.11-.10 .42 .31 .10 -0.060 415 62 389 88 0.2 51848.846 74.95 12.50 0.120 -0.004 12.0 0.000 0.257 0.00 .06-.09-.00 .21 .16 .03 0.060 98 21 96 23 2.0 60067.603 89.53 12.97 0.102 0.016 11.7 0.000 0.205 0.00-.09-.12 .09 .27 .21 .10 0.180 14 2 14 2 7.1 14903.889 47.80 12.46 0.163 -0.037 13.0 0.000 0.325 0.00-.46-.16 .23 .71 .59 .23 0.300 1 0 1 0 0.0 12412.000 26.16 10.97 0.000 0.000 0.0 0.000 0.000 0.00-.64-.04 .34 .64 .04 .34 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 2 0 2 0 0.0 23380.099 35.18 10.90 0.000 0.000 0.0 0.000 0.000 0.00-.05-.60 .58 1.3 1.0 .58 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 1 1 1 1 0.0 482.858 2.40 12.99 0.951 -0.951 2.3 0.000 1.902 0.00-.31-.02 1.1 .31 .02 1.1 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 1 0 1 0 0.0 12787.300 25.65 10.69 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .41 1.9 1.2 .41 1.9 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 543 0 543 0 0.4 40098.362 64.30 12.05 0.000 0.000 0.0 0.000 0.000 0.00 .12-.10-.01 .58 .36 .14 1.000 160 80 80 160 1.9 82001.681 105.83 13.80 0.112 0.000 11.2 0.000 0.233 0.00 .01-.09-.01 .14 .16 .12 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_08.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 703 80 623 160 0.7 49635.390 75.43 12.45 0.112 0.000 11.2 0.000 0.233 0.00 .10-.10-.01 .52 .33 .14 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_08.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 104 26 78 52 1.0 106134.38 163.86 14.83 0.124 0.000 18.6 0.000 0.250 0.00-.01-.07 .00 .12 .16 .10 1.904 102 21 81 42 2.9 73057.206 100.94 13.21 0.103 0.000 10.0 0.000 0.226 0.00-.04-.07-.00 .09 .12 .07 1.512 93 16 77 32 0.0 56138.176 73.25 12.69 0.120 0.000 8.2 0.000 0.260 0.00 .10-.07-.01 .14 .12 .06 1.321 76 8 68 16 1.3 43516.519 60.31 12.27 0.083 0.000 5.3 0.000 0.165 0.00 .11-.09-.02 .15 .18 .15 1.201 75 6 69 12 0.0 37609.679 51.57 12.03 0.066 0.000 3.1 0.000 0.136 0.00 .10-.08-.02 .16 .32 .09 1.115 63 2 61 4 0.0 26077.252 41.11 11.68 0.047 0.000 2.3 0.000 0.091 0.00 .04-.15-.02 .15 .23 .09 1.049 55 1 54 2 0.0 23241.936 38.78 11.38 0.088 0.000 4.1 0.000 0.192 0.00 .08-.13-.02 .34 .49 .09 0.996 51 0 51 0 0.0 19133.869 34.39 11.17 0.000 0.000 0.0 0.000 0.000 0.00 .05-.15-.01 .32 .32 .08 0.953 46 0 46 0 0.0 15555.211 31.10 10.96 0.000 0.000 0.0 0.000 0.000 0.00 .20-.20-.03 .61 .41 .16 0.916 38 0 38 0 0.0 11644.656 27.21 10.78 0.000 0.000 0.0 0.000 0.000 0.00 .83-.10-.03 2.0 .89 .41 0.885 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 5 14 7 31.2 445.304 3.07 13.07 1.255 -0.308 3.0 0.000 2.913 0.00-.01-.01 .02 .22 .15 .30 855.434 19 2 19 2 0.0 1252.997 5.63 11.57 0.315 0.032 2.0 0.000 0.630 0.00 .22-.06-.06 .71 .52 .20 1710.867 28 1 28 1 0.0 2556.561 9.49 11.82 0.452 0.020 4.0 0.000 0.904 0.00 .23-.09-.04 1.1 .73 .18 3421.734 61 5 59 7 0.0 5018.882 15.26 11.88 0.435 -0.043 7.6 0.000 1.106 0.00 .27-.17-.03 1.1 .58 .20 6843.469 98 5 95 8 0.0 10311.353 24.50 11.76 0.128 0.006 4.3 0.000 0.316 0.00 .17-.06-.02 .69 .40 .22 13686.938 114 11 112 13 0.0 20636.081 37.68 11.87 0.251 -0.022 12.6 0.000 0.560 0.00 .07-.12-.02 .32 .24 .08 27373.875 158 26 143 41 0.0 39587.957 56.51 12.43 0.116 -0.001 8.0 0.000 0.266 0.00 .06-.12-.01 .20 .23 .08 54747.750 128 26 113 41 0.0 78024.814 83.28 12.83 0.099 -0.005 10.1 0.000 0.240 0.00 .05-.09-.00 .12 .15 .07 109495.500 61 19 54 26 0.0 152284.64 135.03 13.82 0.142 -0.010 20.9 0.000 0.314 0.00 .02-.08 .00 .11 .11 .07 218991.000 20 10 16 14 0.0 279527.50 220.74 15.52 0.072 0.036 16.0 0.000 0.181 0.00-.01-.05 .03 .04 .08 .07 437982.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3 3 3 3100.0 163.812 1.30 14.07 3.813 -3.813 4.1 0.000 7.625 0.00-.10-.03 .01 .11 .11 .17 1.786 7 1 7 1 28.6 395.733 2.50 12.73 0.951 -0.166 2.3 0.000 1.902 0.00 .02-.06 .12 .31 .15 .42 3.190 14 3 14 3 0.0 949.912 4.81 12.06 0.502 0.010 2.1 0.000 1.004 0.00 .16-.12-.04 .68 .48 .15 5.697 31 3 31 3 0.0 2014.877 7.75 11.72 0.393 0.035 2.7 0.000 0.786 0.00 .21-.04-.05 1.0 .73 .20 10.174 60 3 58 5 0.0 4816.527 14.27 11.65 0.211 -0.009 3.3 0.000 0.557 0.00 .32-.16-.04 1.1 .57 .21 18.170 127 7 125 9 0.0 11161.185 25.33 11.79 0.193 -0.007 6.2 0.000 0.483 0.00 .15-.08-.01 .62 .38 .19 32.450 192 20 180 32 0.0 29764.150 44.69 11.89 0.148 -0.004 7.9 0.000 0.344 0.00 .07-.13-.02 .29 .27 .09 57.954 171 35 147 59 0.0 69217.157 78.13 12.92 0.100 -0.006 8.7 0.000 0.228 0.00 .05-.08 .00 .11 .14 .07 103.503 67 20 60 27 0.0 127370.45 135.55 14.06 0.126 -0.003 19.3 0.000 0.267 0.00-.00-.08 .00 .09 .11 .07 184.852 31 12 25 18 0.0 226565.33 221.33 14.64 0.099 0.019 22.2 0.000 0.203 0.00 .00-.06-.00 .09 .11 .11 330.137 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 26 13 13 26 0.0 105552.40 114.07 13.62 0.011 0.000 1.2 0.000 0.023 0.00-.02-.06-.04 .09 .09 .07 0.030 20 11 11 20 0.0 94666.651 107.92 13.82 0.046 0.006 4.4 0.000 0.092 0.00 .07-.08-.00 .10 .10 .06 0.060 18 14 14 18 0.0 109274.76 126.58 13.99 0.073 0.029 8.4 0.000 0.151 0.00-.00-.09-.02 .11 .11 .10 0.090 21 19 19 21 0.0 60858.586 78.01 13.53 0.101 -0.016 7.1 0.000 0.201 0.00 .08-.12 .00 .14 .19 .08 0.120 17 17 17 17 0.0 72646.329 89.38 13.85 0.133 0.059 11.2 0.000 0.267 0.00 .06-.07 .00 .11 .09 .05 0.150 13 13 13 13 0.0 100895.12 121.19 13.62 0.167 0.103 17.7 0.000 0.334 0.00 .05-.10-.01 .13 .14 .07 0.180 9 9 9 9 0.0 116432.97 121.70 14.59 0.192 0.043 21.6 0.000 0.383 0.00 .00-.08 .03 .08 .10 .05 0.210 3 3 3 3 0.0 99211.835 129.76 13.94 0.230 0.040 28.7 0.000 0.460 0.00-.07-.09-.07 .12 .14 .08 0.240 7 7 7 7 0.0 94364.572 130.37 13.80 0.255 -0.196 29.7 0.000 0.510 0.00-.10-.07-.02 .13 .15 .09 0.270 5 5 5 5 0.0 41301.860 83.06 14.16 0.292 -0.039 16.9 0.000 0.585 0.00-.02-.08-.09 .06 .11 .12 0.300 4 4 4 4 0.0 47254.250 90.70 13.65 0.305 -0.300 20.8 0.000 0.611 0.00 .11-.10-.10 .20 .12 .16 0.330 2 2 2 2 0.0 55473.001 72.74 13.76 0.347 -0.225 22.4 0.000 0.695 0.00 .05-.15 .06 .12 .15 .07 0.360 1 1 1 1 0.0 625.916 5.22 14.22 0.362 0.362 1.9 0.000 0.724 0.00-.04 .18 .00 .04 .18 .00 0.390 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 1 1 1 1 0.0 89850.000 158.27 13.35 0.447 -0.447 70.7 0.000 0.893 0.00-.11-.13-.04 .11 .13 .04 0.450 2 2 2 2 0.0 14452.650 44.12 14.31 0.471 -0.372 22.6 0.000 0.942 0.00 .14-.02-.20 .17 .05 .24 0.480 2 2 2 2 0.0 7360.506 35.49 12.33 0.505 -0.477 12.8 0.000 1.011 0.00-.09-.10-.10 .17 .20 .13 0.510 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.570 9 9 9 9 33.3 4923.878 22.38 14.02 0.797 -0.797 11.8 0.000 1.594 0.00-.19-.17 .13 .38 .44 .39 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 11 11 11 11 27.3 7666.218 32.65 13.92 0.649 -0.649 15.6 0.000 1.298 0.00-.17-.17 .08 .35 .41 .35 -0.460 1 1 1 1 0.0 89850.000 158.27 13.35 0.447 -0.447 70.7 0.000 0.893 0.00-.11-.13-.04 .11 .13 .04 -0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.380 1 1 1 1 0.0 90586.602 91.30 13.88 0.350 -0.350 32.0 0.000 0.701 0.00-.06-.14 .06 .06 .14 .06 -0.340 3 3 3 3 0.0 62538.533 101.72 14.02 0.305 -0.305 27.1 0.000 0.610 0.00 .03-.06-.03 .10 .07 .05 -0.300 3 3 3 3 0.0 101052.70 108.73 14.62 0.275 -0.275 28.4 0.000 0.551 0.00-.07-.07 .02 .07 .07 .04 -0.260 4 4 4 4 0.0 112339.45 152.27 12.30 0.249 -0.249 33.5 0.000 0.498 0.00-.16-.15-.09 .19 .21 .12 -0.220 5 5 5 5 0.0 96005.080 107.20 14.98 0.195 -0.195 20.1 0.000 0.391 0.00 .01-.08 .00 .09 .08 .04 -0.180 8 8 8 8 0.0 40254.163 66.85 13.38 0.162 -0.162 10.8 0.000 0.324 0.00 .09-.11-.01 .15 .14 .06 -0.140 11 11 11 11 0.0 48934.500 64.95 13.25 0.119 -0.119 7.1 0.000 0.237 0.00 .09-.07-.02 .12 .10 .05 -0.100 11 11 11 11 0.0 101003.75 122.61 14.21 0.082 -0.082 9.3 0.000 0.163 0.00-.02-.09-.01 .10 .11 .14 -0.060 13 13 13 13 0.0 86482.316 99.73 13.44 0.040 -0.040 3.7 0.000 0.080 0.00 .04-.06-.01 .10 .08 .07 -0.020 19 10 10 19 0.0 115552.96 123.83 13.97 0.008 0.001 0.9 0.000 0.017 0.00-.04-.07-.03 .09 .09 .07 0.020 14 14 14 14 0.0 94137.072 104.59 13.59 0.041 0.041 3.9 0.000 0.082 0.00 .08-.08-.03 .10 .11 .06 0.060 16 16 16 16 0.0 95052.144 108.78 13.83 0.077 0.077 7.5 0.000 0.155 0.00 .05-.10-.01 .11 .17 .07 0.100 14 14 14 14 0.0 72699.978 90.16 13.77 0.122 0.122 10.3 0.000 0.245 0.00 .06-.11 .01 .15 .16 .06 0.140 9 9 9 9 0.0 142401.32 140.44 13.89 0.163 0.163 20.9 0.000 0.326 0.00 .01-.09-.01 .10 .13 .06 0.180 5 5 5 5 0.0 128430.90 130.10 14.45 0.192 0.192 22.8 0.000 0.384 0.00-.02-.08 .03 .07 .12 .07 0.220 3 3 3 3 0.0 82980.800 138.97 14.63 0.239 0.239 29.9 0.000 0.478 0.00-.03 .03-.02 .07 .09 .03 0.260 4 4 4 4 0.0 22238.825 58.78 14.11 0.294 0.294 12.4 0.000 0.589 0.00-.01-.09-.11 .05 .12 .13 0.300 2 2 2 2 0.0 10880.400 28.16 13.10 0.334 0.334 7.3 0.000 0.668 0.00 .26-.19-.12 .29 .19 .22 0.340 1 1 1 1 0.0 625.916 5.22 14.22 0.362 0.362 1.9 0.000 0.724 0.00-.04 .18 .00 .04 .18 .00 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 1 1 1 1 0.0 3174.100 8.82 12.92 0.452 0.452 4.0 0.000 0.904 0.00 .24 .02-.33 .24 .02 .33 0.460 1 1 1 1 0.0 438.713 4.07 13.39 0.485 0.485 2.0 0.000 0.969 0.00 .05 .07-.01 .05 .07 .01 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 8 8 16 0.0 73673.857 101.88 13.80 0.006 0.000 0.7 0.000 0.013 0.00 .00-.08-.04 .10 .10 .07 1.000 20 12 12 20 0.0 71365.211 100.37 13.33 0.017 0.001 1.7 0.000 0.035 0.00 .06-.09-.05 .17 .18 .10 2.000 17 11 11 17 11.8 41639.404 64.20 12.93 0.038 0.001 2.4 0.000 0.076 0.00 .01-.09 .04 .12 .11 .28 3.000 7 5 5 7 0.0 48993.857 62.37 12.76 0.058 0.006 3.7 0.000 0.118 0.00 .06-.05-.07 .14 .07 .14 4.000 5 4 4 5 0.0 33089.820 46.03 12.43 0.099 0.022 4.6 0.000 0.193 0.00 .10-.19-.03 .12 .26 .07 5.000 4 4 4 4 0.0 38430.075 51.56 12.34 0.107 0.015 5.5 0.000 0.214 0.00 .09-.05-.02 .11 .08 .05 6.000 3 3 3 3 0.0 42988.767 53.11 12.63 0.122 -0.023 6.5 0.000 0.245 0.00 .09-.07-.04 .10 .11 .05 7.000 5 5 5 5 20.0 46458.489 65.17 13.01 0.117 0.049 7.6 0.000 0.233 0.00 .05-.06-.06 .12 .11 .11 8.000 7 6 6 7 0.0 103291.23 103.64 14.48 0.084 0.012 8.6 0.000 0.182 0.00 .07-.07 .00 .11 .08 .05 9.000 10 10 10 10 0.0 106919.76 118.27 13.93 0.080 0.052 9.5 0.000 0.161 0.00 .04-.07 .04 .09 .09 .08 10.000 10 10 10 10 0.0 79986.759 99.98 14.35 0.105 -0.045 10.5 0.000 0.211 0.00 .03-.05 .00 .11 .08 .04 11.000 5 5 5 5 0.0 126108.46 136.99 14.88 0.086 0.021 11.7 0.000 0.171 0.00-.05-.11 .04 .07 .12 .10 12.000 6 6 6 6 0.0 74083.683 113.71 13.87 0.110 0.044 12.5 0.000 0.221 0.00 .02-.09 .00 .12 .11 .04 13.000 9 9 9 9 0.0 89270.077 128.44 14.16 0.105 -0.037 13.5 0.000 0.210 0.00-.07-.09-.06 .11 .12 .13 14.000 2 2 2 2 0.0 29955.900 63.56 14.24 0.222 0.019 14.1 0.000 0.445 0.00-.04 .02-.02 .08 .12 .04 15.000 2 1 1 2 0.0 214422.00 174.68 16.31 0.088 0.000 15.4 0.000 0.162 0.00-.03-.00 .08 .04 .01 .08 16.000 5 5 5 5 0.0 71730.840 89.65 14.12 0.184 0.046 16.6 0.000 0.369 0.00-.16-.34 .08 .49 .58 .14 17.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 18.000 1 1 1 1 0.0 123983.00 92.52 13.40 0.204 -0.204 18.8 0.000 0.407 0.00 .18-.09 .04 .18 .09 .04 19.000 1 1 1 1 0.0 53247.301 83.60 11.24 0.229 -0.229 19.1 0.000 0.458 0.00-.21-.23-.13 .21 .23 .13 20.000 2 2 2 2 0.0 40513.452 71.05 14.70 0.283 -0.283 20.1 0.000 0.567 0.00 .07-.05-.06 .12 .06 .07 21.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 22.000 1 1 1 1 0.0 71425.203 171.65 16.55 0.131 0.131 22.4 0.000 0.261 0.00 .06-.08 .04 .06 .08 .04 23.000 1 1 1 1 0.0 14282.300 46.51 11.27 0.506 -0.506 23.5 0.000 1.012 0.00-.23-.28-.19 .23 .28 .19 24.000 21 11 11 21 0.0 148617.83 163.72 14.97 0.224 -0.003 37.9 0.000 0.488 0.00-.03-.06-.01 .07 .11 .07 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 703 80 623 160 0.7 49635.390 75.43 12.45 0.112 0.000 11.2 0.000 0.233 0.00 .10-.10-.01 .52 .33 .14 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 60 0 60 0 1.7 74296.515 105.72 13.27 0.000 0.000 0.0 0.000 0.000 0.00 .03-.09 .01 .13 .14 .07 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_08.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.904 78 161 48.45 1.33 0.124 26 16.15 0.124 163.86 1.0 to 1.512 159 316 50.32 1.30 0.116 47 14.87 0.103 100.94 2.9 to 1.321 236 471 50.11 1.27 0.117 63 13.38 0.120 73.25 0.0 to 1.201 304 619 49.11 1.23 0.115 71 11.47 0.083 60.31 1.3 to 1.115 373 774 48.19 1.21 0.113 77 9.95 0.066 51.57 0.0 to 1.049 434 924 46.97 1.18 0.112 79 8.55 0.047 41.11 0.0 to 0.996 488 1073 45.48 1.16 0.112 80 7.46 0.088 38.78 0.0 to 0.953 539 1218 44.25 1.15 0.112 80 6.57 0.000 34.39 0.0 to 0.916 585 1375 42.55 1.14 0.112 80 5.82 0.000 31.10 0.0 to 0.885 623 1520 40.99 1.13 0.112 80 5.26 0.000 27.21 0.0