SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:24:28 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 12 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 40.94 (from frame neal054_11_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_11_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_11_0001.sfrm) Base offset per exposure: 64 (from frame neal054_11_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_11_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 10:24:29 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_11_0001.sfrm Nominal time per frame (s): 26 Intensity normalization in deg/min: 2.30769 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:24:31 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_11_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:24:31 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_11_0001.sfrm Active pixel mask written to neal054_am_11_0001.sfrm Fraction of mask marked active: 0.9548 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 62.435 60.860 270.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 80 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:24:31 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 = 92.47% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 20 0.78 0.78 2.27 1.000 2_0003 9 0.32 0.11 0.07 0.57 0.40 0.33 29411 51 0 0.56 24 0.78 0.78 2.27 1.000 3_0004 5 0.05 -0.20 0.03 0.31 0.21 0.06 16557 36 0 0.49 27 0.78 0.78 2.27 1.000 4_0005 8 0.02 -0.11 0.02 0.24 0.12 0.12 61661 70 0 0.50 26 0.78 0.78 2.27 1.000 5_0006 12 -0.20 -0.07 0.01 0.80 0.25 0.27 18547 41 8 0.54 26 0.78 0.78 2.27 1.000 6_0007 11 0.45 -0.19 -0.04 0.74 0.35 0.14 23001 39 9 0.57 28 0.78 0.78 2.27 1.000 7_0008 7 0.29 0.12 -0.02 0.66 0.35 0.16 62357 69 0 0.72 28 0.78 0.78 2.27 1.000 8_0009 11 0.23 -0.14 -0.11 0.36 0.27 0.20 53309 64 0 0.67 32 0.78 0.78 2.27 1.000 9_0010 11 0.69 -0.10 -0.19 1.60 0.48 0.49 57846 76 0 0.66 25 0.78 0.78 2.27 1.000 10_0011 6 0.00 -0.17 0.05 0.19 0.18 0.12 74287 95 0 0.75 26 0.78 0.78 2.27 1.000 11_0012 7 0.01 -0.20 -0.04 0.26 0.21 0.22 53845 72 0 0.70 29 0.78 0.78 2.27 1.000 12_0013 16 0.15 -0.20 0.00 0.41 0.26 0.20 16973 33 0 0.68 26 0.78 0.78 2.27 1.000 13_0014 8 0.17 -0.02 -0.06 0.41 0.24 0.11 28500 47 0 0.50 27 0.78 0.78 2.27 1.000 14_0015 7 0.57 0.17 -0.02 1.46 0.65 0.16 15979 34 0 0.74 28 0.78 0.78 2.27 1.000 15_0016 7 0.19 -0.20 0.07 0.40 0.26 0.12 57786 44 14 0.54 30 0.78 0.78 2.27 1.000 16_0017 9 -0.02 -0.14 0.00 0.23 0.16 0.14 44311 66 0 0.78 33 0.78 0.78 2.27 1.000 17_0018 6 0.50 -0.14 0.01 0.95 0.16 0.55 7165.1 23 0 0.69 24 0.78 0.78 2.27 1.000 18_0019 18 0.18 -0.13 -0.07 0.47 0.26 0.15 49638 62 0 0.71 27 0.78 0.78 2.27 1.000 19_0020 11 0.28 -0.23 -0.07 0.49 0.37 0.11 73164 81 0 0.72 30 0.78 0.78 2.27 1.000 Background pixels updated = 92.66% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 0.06 -0.16 -0.01 0.22 0.18 0.12 71953 89 0 0.71 27 0.78 0.78 2.27 1.000 21_0022 13 -0.09 -0.11 -0.06 0.51 0.45 0.24 35804 51 0 0.72 27 0.78 0.78 2.27 1.000 22_0023 3 0.12 -0.13 -0.10 0.23 0.15 0.12 16322 36 0 0.68 31 0.78 0.78 2.27 1.000 23_0024 7 0.70 -0.18 -0.20 1.47 0.23 0.24 21484 39 0 0.69 25 0.78 0.78 2.27 1.000 24_0025 7 0.24 -0.02 -0.06 0.43 0.29 0.41 12433 31 0 0.73 26 0.78 0.78 2.27 1.000 25_0026 12 -0.07 -0.15 -0.08 0.43 0.20 0.16 28608 46 0 0.64 28 0.78 0.78 2.27 1.000 26_0027 17 0.18 -0.28 -0.13 0.34 0.39 0.28 35753 53 6 0.71 27 0.78 0.78 2.27 1.000 I/Sigma = 54.38 Thresh = 0.020 Blend = F #Contributing = 57 InitialProfileWt = 0.035 Region 1 Sum = 15580.6; Maximum = 217.307; FM = 0.7 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 3 3 2 1 1 0 0 0 0 8 9 9 4 2 1 1 0 0 0 1 0 0 0 0 0 0 0 5 8 6 4 2 1 1 1 0 14 25 22 14 7 3 2 1 0 0 0 0 0 0 0 0 0 0 4 7 6 3 2 1 1 0 0 13 24 21 14 7 3 1 1 1 0 0 0 0 0 0 0 0 0 4 7 6 3 1 1 0 0 0 11 25 23 15 8 3 2 1 1 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 7 14 14 10 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 1 0 0 5 11 10 7 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 3 7 7 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 4 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 !Region 1: Section 4->6 7 15 26 22 17 10 5 2 0 3 13 32 37 38 28 18 9 2 1 4 14 19 27 26 22 12 3 16 38 47 45 38 23 11 5 1 10 31 53 69 75 59 35 16 3 3 12 24 40 58 57 44 23 5 16 38 47 47 43 27 14 6 2 10 31 54 75 90 72 47 23 5 3 11 25 44 69 72 58 35 9 16 43 57 56 48 27 13 6 2 12 41 70 92100 72 44 23 6 4 16 33 55 77 72 56 34 9 10 26 35 36 34 23 13 6 2 8 24 41 58 71 61 42 22 6 2 9 19 35 56 63 54 34 9 8 21 28 31 30 20 11 6 2 6 19 34 50 62 54 39 24 8 2 7 16 29 45 53 51 38 13 5 15 21 22 22 14 8 4 1 4 14 25 36 44 37 28 17 6 1 5 11 21 33 38 36 27 10 3 7 10 12 14 11 7 4 1 2 7 12 19 27 26 21 14 5 1 3 6 11 19 25 27 22 8 1 3 5 6 6 5 2 1 1 1 3 6 11 13 14 7 6 2 0 1 3 6 9 11 9 9 4 !Region 1: Section 7->9 0 1 1 2 6 8 9 6 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 7 16 20 20 13 4 0 0 1 1 1 2 3 3 1 0 0 0 0 0 0 1 0 0 1 1 3 8 18 26 26 18 5 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 0 1 0 1 2 4 10 20 25 26 18 6 0 0 1 1 1 2 4 4 2 0 0 0 0 0 0 0 1 0 1 1 3 7 16 23 26 20 7 0 0 0 1 1 2 4 5 2 0 0 0 0 0 0 0 1 0 1 1 2 5 11 19 24 21 8 0 1 0 0 1 2 4 5 2 0 0 0 0 0 0 1 1 0 0 1 2 4 9 14 17 16 7 0 0 1 1 1 2 3 4 2 0 0 0 0 0 1 1 1 0 0 1 1 2 5 9 13 13 6 0 0 1 1 1 2 3 4 2 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 4 5 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 215.22 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.053 Region 2 Sum = 205330; Maximum = 3931.54; FM = 0.826 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 2 7 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 4 2 1 0 1 4 11 23 23 17 8 3 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 4 3 1 0 1 3 8 18 20 17 10 4 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 3 3 1 0 1 4 10 20 23 18 11 4 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 0 0 1 2 7 14 17 15 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 3 9 13 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 5 8 6 2 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 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 2: Section 4->6 0 2 6 16 15 10 4 1 0 0 2 9 19 22 15 6 2 0 0 1 4 8 11 9 5 2 0 2 7 25 57 66 46 19 4 1 1 7 26 60 78 55 23 6 1 0 3 12 26 37 30 16 5 1 1 8 26 58 69 52 23 6 1 1 9 33 72 91 68 30 8 1 1 4 15 33 44 36 19 7 1 2 10 35 65 76 64 32 8 1 1 13 46 83100 86 44 11 1 1 6 21 39 49 45 27 10 1 1 7 26 52 62 53 26 5 1 1 9 34 65 79 71 36 8 1 0 4 17 31 39 39 24 9 1 0 3 13 36 47 39 18 4 1 0 4 19 48 64 55 27 7 1 0 3 11 24 32 31 20 10 2 0 2 6 21 30 22 9 3 0 0 2 9 29 43 31 15 5 1 0 2 5 15 22 21 14 8 1 0 1 2 9 15 10 5 1 0 0 1 3 13 21 14 7 3 1 0 1 2 7 12 11 8 6 1 0 0 1 2 3 3 2 1 0 0 0 1 3 4 5 3 2 0 0 0 1 2 3 4 4 3 0 !Region 2: Section 7->9 0 0 0 1 2 3 3 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 12 12 8 3 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 12 13 9 5 1 0 0 1 3 4 4 3 2 0 0 0 0 0 0 0 0 0 0 0 1 5 11 16 16 12 7 1 0 0 2 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 2 6 12 15 17 14 8 2 0 1 3 5 6 6 5 3 1 0 0 0 0 0 0 0 0 0 0 2 5 9 12 14 13 9 2 0 1 2 4 5 5 5 4 1 0 0 0 0 0 0 0 1 0 0 2 3 6 9 12 11 8 2 0 1 1 3 4 5 4 3 1 0 0 0 0 0 0 0 0 0 0 1 2 4 6 8 8 6 2 0 0 1 2 3 3 3 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 149.10 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.090 Region 3 Sum = 115080; Maximum = 2609.26; FM = 0.786 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 0 0 1 1 2 4 4 5 6 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 4 3 1 0 1 2 5 8 10 14 18 5 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 3 1 0 1 2 4 8 13 21 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 2 0 0 1 2 4 9 18 24 17 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 1 3 9 18 19 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 2 7 13 11 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 4 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 1 2 5 8 11 11 9 2 0 0 1 4 8 15 15 8 2 0 0 1 2 4 8 8 3 1 0 2 5 13 25 36 35 33 10 0 1 4 14 33 54 45 27 7 0 1 2 6 15 26 21 10 2 0 1 5 17 36 55 53 40 10 0 1 5 25 57 83 62 31 7 0 1 3 12 29 41 27 10 2 0 1 6 25 49 69 62 34 6 0 1 10 42 81100 69 28 5 0 1 6 23 42 48 30 10 2 0 1 7 27 49 66 49 20 3 0 2 14 49 82 92 54 18 3 0 2 10 28 43 45 24 8 1 0 1 6 23 41 47 28 9 1 1 3 14 45 70 66 33 9 1 1 4 11 26 37 33 16 5 1 0 1 5 16 26 25 12 3 0 1 3 12 32 45 38 17 5 1 1 4 11 21 25 21 11 4 1 0 1 4 10 13 10 4 2 0 1 3 10 19 23 17 8 3 1 1 5 10 14 15 12 7 4 1 0 0 2 3 4 3 1 1 0 0 1 4 6 7 5 2 1 0 0 2 4 5 5 4 2 1 0 !Region 3: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 3 5 5 3 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 5 5 3 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 6 6 5 3 2 1 0 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 6 6 6 5 4 2 1 0 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 4 5 6 5 4 3 3 1 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 42.45 Thresh = 0.020 Blend = F #Contributing = 15 InitialProfileWt = 0.301 Region 4 Sum = 8834.98; Maximum = 131.297; FM = 0.737 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 5 17 14 14 12 5 1 1 1 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 1 1 12 27 31 29 18 7 3 1 0 0 0 0 0 0 0 0 1 0 1 3 2 2 1 0 0 1 1 9 20 23 22 15 7 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 6 12 15 14 12 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 3 6 9 9 9 5 2 1 1 -1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 4 5 5 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 2 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 4: Section 4->6 8 28 30 30 24 9 2 1 1 5 19 27 30 27 14 6 2 1 1 6 11 18 20 13 7 2 1 19 49 66 64 43 18 6 2 0 11 38 62 71 67 39 16 6 1 3 14 28 44 58 40 17 7 1 15 38 54 57 45 21 7 2 1 9 33 59 79 89 56 24 8 2 3 14 30 55 82 62 27 10 2 9 24 38 46 44 22 9 3 1 6 22 47 78100 72 33 10 2 2 10 27 59 97 84 38 13 3 5 12 24 33 38 23 11 4 2 3 12 32 61 97 82 41 16 3 1 6 19 49 97 96 49 19 4 2 7 13 21 26 19 10 5 1 2 7 19 43 76 79 48 19 3 1 4 13 37 79 96 60 24 5 2 3 6 10 17 13 8 4 1 1 4 9 23 51 63 40 19 5 1 2 7 21 55 80 52 26 7 1 2 3 5 9 9 7 4 1 0 1 4 12 30 45 36 19 5 0 1 3 11 35 60 48 27 7 0 1 1 2 3 3 3 2 0 0 0 1 3 9 16 17 7 1 0 0 1 3 10 21 23 10 2 !Region 4: Section 7->9 0 1 1 4 5 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 16 13 6 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 12 24 20 9 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 14 29 28 12 5 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 12 29 32 16 7 2 0 -1 -1 0 0 1 1 0 0 0 0 0 -1 0 0 1 0 0 0 1 3 10 25 33 22 9 2 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 0 0 0 1 2 7 18 28 20 11 4 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 1 4 13 22 19 12 4 0 0 1 1 1 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 4 8 9 5 1 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.42 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 5 Sum = 5757.04; Maximum = 71.3803; FM = 0.665 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 6 9 6 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 3 4 3 2 1 1 1 0 0 13 21 14 6 3 2 2 0 0 1 0 0 0 1 0 -1 0 0 4 5 3 1 1 1 0 0 1 16 24 17 6 3 2 1 -1 0 0 0 0 -1 0 1 0 -1 0 2 4 2 0 1 2 1 1 0 13 20 15 7 4 3 3 1 1 0 0 1 0 0 1 1 0 0 2 3 3 1 2 1 1 1 0 9 14 13 8 5 2 1 1 1 0 1 -1 -1 0 0 1 1 0 1 2 2 0 0 0 1 2 1 5 8 9 6 3 1 0 1 0 0 0 0 -1 -1 -1 0 1 0 0 1 1 0 0 0 0 1 0 1 4 5 3 3 1 1 1 0 0 0 0 0 -1 -1 0 -1 0 0 1 1 0 -1 0 0 0 0 1 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 !Region 5: Section 4->6 12 25 17 13 8 3 3 1 0 11 31 25 22 14 10 8 3 1 4 13 14 12 12 12 7 4 2 31 59 44 32 20 10 8 1 1 34 74 65 59 42 29 19 7 3 13 32 35 35 36 36 23 11 5 39 74 59 40 25 16 8 2 1 44 97 90 77 57 45 27 11 4 18 44 49 50 52 54 36 16 7 34 66 61 45 30 22 14 5 2 39 93100 88 72 59 40 17 6 16 45 56 60 64 64 52 24 11 24 54 59 45 34 23 14 6 2 29 79 99 90 79 63 48 22 8 12 38 54 62 71 70 62 32 14 14 34 46 37 26 20 13 7 1 17 52 79 73 65 59 50 28 8 7 25 44 52 61 65 66 42 15 5 19 27 25 19 15 13 6 1 8 30 48 52 47 44 41 25 8 4 15 27 36 44 49 52 40 17 2 7 11 13 11 10 9 4 1 4 11 18 29 26 30 29 21 7 2 6 11 21 24 33 38 35 13 1 1 2 3 3 3 4 1 0 1 2 4 7 8 9 13 7 2 0 1 2 5 7 11 17 13 4 !Region 5: Section 7->9 0 1 2 1 5 5 3 3 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 3 6 6 14 17 11 6 3 1 1 2 0 1 0 1 0 0 0 1 1 0 0 0 0 -1 0 1 4 7 11 20 24 18 8 4 0 1 0 1 1 -1 1 0 0 0 1 0 0 0 -1 0 0 0 2 5 8 15 23 27 26 13 7 1 0 -1 0 0 0 1 2 1 0 0 -1 -1 -1 0 0 0 0 1 5 8 15 25 30 30 18 9 0 1 1 1 0 0 0 2 1 1 0 0 0 -1 -1 -1 0 0 0 3 7 14 22 28 32 26 11 1 0 1 2 1 1 1 5 3 1 0 0 0 0 0 0 1 0 1 3 4 8 15 23 27 26 13 0 1 1 1 1 2 3 6 3 0 0 0 0 0 -1 0 0 0 0 2 2 5 8 16 22 23 9 0 1 0 0 -1 2 3 4 1 0 0 0 0 -1 0 0 0 0 0 0 0 2 3 6 10 9 3 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 12.31 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 6 Sum = 518.627; Maximum = 5.68667; FM = 0.475 !Region 6: Section 1->3 -2 -4 0 -1 -2 10 9 10 0 -1 -2 2 0 1 9 7 7 1 7 8 10 8 11 4 0 -2 -2 -1 -5 -1 3 -1 15 13 1 -2 0 0 1 9 2 14 9 -2 -3 24 35 22 35 23 14 0-10 -4 2 -9 1 5 -2 0 7 -4 0 3 2 4 6 -1 2 4 -5 0 31 58 35 28 15 5 1 -3 -3 6 -6 -3 2 -3 2 0 -2 1 12 3 0 2 -4 1 1 -3 0 47 53 38 23 11 12 -1 1 -2 0 -2 -2 5 8 12 -1 0 0 5 1 2 5 7 10 0 -1 0 25 38 39 20 18 11 5 3 -4 0 -3 -4 0 5 7 3 -2 -1 6 2 -1 -1 5 8 2 -1 -1 12 33 27 13 16 13 2 3 -2 -2 -3 -1 0 7 9 -5 -6 -2 0 4 1 0 6 7-10 -8 -1 11 28 21 14 14 8-16 -9 0 1 -4 -2 -3 2 1 -1 7 1 1 -2 0 -2 2 1 0 4 -2 3 10 11 10 10 9 2 -4-10 1 -1 0 0 0 0 0 0 0 1 1 -1 0 -1 0 1 1 0 2 10 -1 4 3 4 3 2 -2 !Region 6: Section 4->6 14 15 14 14 16 3 -1 -4 -2 5 5 6 10 12 7 8 5 -1 -3 -3 -1 10 16 17 19 14 -1 55 67 45 53 42 18 2-11 -3 28 37 34 44 39 34 25 3 1 0 9 24 49 45 62 69 38 13 69 98 72 58 37 23 7 0 -1 36 48 65 55 45 50 36 14 12 1 9 64 55 59 82 79 51 38 78 92 82 54 36 30 7 10 1 36 46 69 57 45 47 29 31 13 1 13 67 72 68 76 71 91 44 50 77 75 42 39 21 13 11 -2 28 46 47 44 48 43 38 16 2 5 22 22 50 69 79100 57 23 28 59 58 36 32 16 6 6 -1 16 33 39 34 37 32 24 10 1 0 8 16 28 52 65 75 44 16 18 40 41 34 30 16-11 -6 -1 5 16 29 21 33 28 12 8 2 -6 -1 19 5 47 45 33 37 17 6 22 20 24 24 21 3 -3-12 8 15 14 15 26 30 6 3 -2 12 5 11 1 34 46 20 21 12 3 14 1 9 10 9 4 3 -4 3 7 3 7 9 8 2 1 -2 6 0 -3 0 8 11 12 9 8 !Region 6: Section 7->9 -1 1 -5 6 10 13 11 7 0 -1 -6 -6 -3 0 0 0 1 1 -1-10 -5 -5 -3 -4 -1 1 0 1 3 8 21 20 31 53 48 17 4 2 -5-10 -5 0 10 12 6 5 3 -6-14 -7 -2 -3 -6 0 -1 2 29 21 32 41 50 53 33 2 4 -1 -9 -5 -1 4 18 8 4 7 -2-10-11 -5 -6 3 -1 -3 6 38 44 47 43 57 90 42 -3 2 4 3 3 -2 8 29 7 -1 0 -2 -5 -9-10 -7 4 -8 0 14 6 23 42 45 85 72 34 -1 -4-16 -1 2 10 19 19 8 0 -8-20 -2 -6 6 -3 -8 -6 -2 -1 1 9 29 40 73 59 26 0 1 -6 -6 -3 10 23 19 14 0 0 -3 -6 -9 6 2 -3 0 -4 -5 6 0 31 21 23 39 23 -5 -5 6 -6 7 -5 1 5 9 -6 -4 9 -6 0 -8 -5-10 1 5 -4 3 -5 24 27 20 29 15 -4 -9 -7 -7 7 7 14 4 3 -5 -8 -8 -6 4 5 11-10 -4 0 -5-10 -5 6 9 17 17 14 0 -6 -8 -5 5 1 9 7 5 -2 -4 -5 -3 6 -1 4 0 -1 I/Sigma = 39.05 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 7 Sum = 6568.71; Maximum = 100.166; FM = 0.619 !Region 7: 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 0 0 1 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 1 1 0 0 0 1 0 1 2 2 1 1 1 1 1 0 0 1 1 1 0 0 0 0 0 1 2 1 1 1 1 1 1 1 3 4 3 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 2 2 1 1 0 0 0 1 1 4 5 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 1 3 4 4 1 0 0 -1 -1 -1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 1 2 2 3 2 1 1 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 2 2 2 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 !Region 7: Section 4->6 3 12 13 15 9 9 7 3 0 5 21 22 28 18 16 13 7 1 2 9 9 13 10 9 8 6 1 9 31 37 32 25 20 15 7 2 16 54 66 61 50 42 32 18 5 7 23 29 30 29 26 21 16 6 13 41 47 42 32 25 16 8 3 22 74 87 82 67 53 38 23 7 10 34 42 43 41 33 28 22 8 16 47 52 43 33 23 15 9 3 28 86100 88 72 52 36 25 8 12 41 52 50 47 35 29 24 9 18 45 48 39 31 23 12 7 2 30 83 93 80 69 52 30 21 7 14 41 50 48 45 36 24 21 9 15 38 37 30 22 17 10 6 2 26 70 74 63 50 40 24 15 5 12 36 41 39 33 28 19 15 6 12 30 30 24 15 11 7 4 1 21 55 59 51 34 26 18 11 4 10 28 32 31 23 18 14 10 4 8 21 20 14 10 9 5 3 1 14 38 38 30 22 19 11 8 2 6 19 20 18 15 12 9 7 3 2 6 7 6 5 3 2 1 0 3 10 14 10 9 6 4 3 1 1 5 7 5 5 4 3 2 1 !Region 7: Section 7->9 0 0 1 1 2 3 4 5 1 0 0 0 1 0 2 2 3 1 0 0 0 0 0 0 0 0 0 0 2 2 3 5 8 7 12 7 1 1 1 1 1 3 3 7 4 1 0 1 1 0 1 0 0 0 1 3 4 5 9 8 10 15 9 1 1 1 1 3 3 3 8 6 0 0 0 1 1 1 1 0 0 1 4 6 6 11 8 12 17 9 0 1 2 1 3 1 6 9 5 0 0 1 1 1 0 2 1 0 1 4 6 7 10 9 12 17 8 0 1 1 1 2 2 6 10 5 0 0 1 1 1 0 1 1 1 2 4 5 7 8 7 9 13 7 1 1 0 2 3 2 4 7 4 0 0 0 1 1 0 0 0 0 1 3 4 5 6 6 7 8 4 1 1 0 1 2 3 3 4 3 1 0 0 0 1 1 1 1 0 0 1 3 3 4 4 4 6 4 0 -1 1 1 2 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 0 0 0 0 1 0 1 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 53.20 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 8 Sum = 13695.4; Maximum = 189.153; FM = 0.714 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 3 2 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 0 3 6 6 6 3 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 5 10 9 7 4 2 1 2 1 0 0 0 0 0 1 0 1 0 1 2 2 1 1 1 1 1 0 6 13 11 8 5 2 1 2 1 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 0 6 13 12 8 5 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 6 13 11 8 5 2 1 1 0 0 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 6 10 8 5 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 0 1 1 1 0 0 1 4 7 5 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 !Region 8: Section 4->6 1 4 9 14 12 8 5 2 1 1 4 13 28 28 25 20 8 2 0 2 8 19 23 29 26 15 3 6 15 25 33 26 17 9 4 2 5 15 40 66 66 54 32 17 6 2 7 23 46 56 59 45 30 9 10 25 36 42 32 19 9 5 2 8 27 57 85 79 59 33 18 6 3 12 33 58 66 62 46 31 10 16 35 48 51 36 20 9 5 2 14 40 74100 85 57 33 17 5 5 19 41 67 69 58 43 28 9 17 39 52 52 34 20 9 4 1 17 48 82100 78 53 29 14 4 6 23 47 64 61 50 36 24 7 18 39 50 44 29 15 7 3 1 19 49 80 81 62 40 22 11 4 6 23 46 52 47 38 27 17 5 16 33 41 33 21 11 6 3 1 17 42 67 63 45 30 17 7 2 6 20 38 42 34 28 18 11 3 9 22 28 24 14 7 3 2 1 8 30 45 44 31 18 10 5 2 3 15 24 28 23 17 12 7 2 2 8 10 8 6 3 1 1 1 2 10 16 14 12 7 3 1 1 1 5 8 8 8 6 4 2 1 !Region 8: Section 7->9 0 0 1 4 8 14 16 13 4 0 0 0 0 2 3 5 5 2 0 0 0 0 0 0 0 0 0 1 2 4 10 18 29 33 26 8 0 0 1 1 3 8 11 9 3 0 0 0 0 0 1 0 0 0 1 3 6 13 20 29 33 26 8 1 1 0 2 3 7 10 9 3 0 0 0 0 0 0 0 0 0 1 3 7 14 20 25 26 24 8 0 1 1 1 3 6 8 9 4 0 0 0 0 0 1 1 1 0 1 4 9 12 16 20 21 19 6 0 0 1 1 2 4 6 6 2 0 0 0 0 0 0 0 0 0 1 3 8 10 12 14 15 13 4 0 0 1 1 1 3 4 5 1 0 0 0 0 0 1 1 0 0 1 3 6 8 8 9 8 7 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 1 2 3 5 5 6 6 5 1 0 0 0 1 1 1 2 2 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 2 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 138.59 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.079 Region 9 Sum = 91733.8; Maximum = 1631.07; FM = 0.711 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 6 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 5 10 12 7 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 2 5 13 16 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 11 17 12 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 4 7 12 11 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 5 8 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 3 4 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 2 8 17 19 11 6 2 1 0 3 14 32 40 30 20 10 4 1 3 11 24 34 30 22 11 4 1 4 17 38 39 25 13 5 2 0 9 35 71 75 62 41 19 6 1 11 31 54 64 61 45 23 8 2 4 19 46 56 38 18 7 2 1 9 37 84100 82 50 23 8 2 11 34 66 78 72 51 27 11 3 3 15 38 57 46 24 9 3 1 6 28 66 96 93 60 29 10 2 7 27 54 75 78 58 32 13 3 2 9 24 41 41 25 11 4 1 3 15 42 69 73 52 30 13 3 3 14 37 55 58 46 31 15 4 2 6 14 25 27 19 10 4 1 2 7 22 41 49 40 26 12 3 1 5 17 32 40 35 25 13 4 1 3 7 12 13 10 7 4 1 1 3 9 18 25 24 18 10 2 1 2 6 14 22 23 18 10 3 1 2 3 5 6 6 4 2 1 0 2 4 7 11 13 11 6 2 0 1 2 4 9 12 11 7 2 0 1 1 2 2 2 1 1 0 0 1 2 3 3 3 2 1 0 0 0 1 1 2 3 2 1 0 !Region 9: Section 7->9 1 3 6 9 9 8 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 4 10 14 19 20 17 11 6 2 0 1 1 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 4 11 18 21 22 18 12 7 3 0 1 1 1 2 3 3 3 2 0 0 0 0 0 0 0 1 0 3 9 16 21 22 19 13 8 3 0 0 1 1 2 3 3 3 2 0 0 0 0 0 0 0 1 0 1 5 12 16 16 15 12 8 3 0 0 1 1 1 2 3 3 2 0 0 0 0 0 0 0 1 0 0 2 5 9 11 12 10 7 3 0 0 0 1 1 2 2 3 2 0 0 0 0 0 0 0 0 0 0 1 2 4 6 7 6 5 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (213 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) 213 0 213 5.6648 0.8683 15.643 125.200 Orientation ('UB') matrix: 0.1439649 0.0358264 -0.0040083 0.0301956 -0.0024841 0.0771120 0.0659067 -0.0771202 -0.0043459 A B C Alpha Beta Gamma Vol 6.2472 11.7548 13.0204 90.000 96.749 90.000 949.53 0.0004 0.0005 0.0013 0.000 0.006 0.000 0.18 Corrected for goodness of fit: 0.0011 0.0013 0.0035 0.000 0.015 0.000 0.47 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.135 96.025 24.277 Goniometer zeros (deg): 0.0000* -0.0137 0.0000* 0.0169 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.9999 -0.4062 0.0716 -0.2173 -0.1989 0.7800 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.55068e+04 4.13844e+03 2.64 6 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 213 213 181 Average input ESD (pix, pix, deg): 0.15548 0.12087 0.04824 Goodness of fit: 2.80815 2.62340 2.34211 Average missing volume: 0.047 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:33 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 = 92.49% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 20 0.78 0.78 2.27 1.000 2_0003 8 0.08 -0.02 -0.09 0.13 0.07 0.34 33626 55 0 0.63 24 0.78 0.78 2.27 1.000 3_0004 6 -0.01 -0.08 0.06 0.10 0.10 0.08 14910 35 0 0.43 27 0.78 0.78 2.27 1.000 4_0005 6 -0.10 -0.04 0.09 0.15 0.07 0.17 86902 88 0 0.59 27 0.78 0.78 2.27 1.000 5_0006 13 -0.15 0.04 0.11 0.82 0.20 0.23 20401 43 0 0.62 28 0.78 0.78 2.27 1.000 6_0007 11 0.25 -0.14 0.09 0.49 0.22 0.22 25087 41 9 0.59 27 0.78 0.78 2.27 1.000 7_0008 7 0.06 -0.03 0.01 0.20 0.08 0.10 63314 69 0 0.75 28 0.78 0.78 2.27 1.000 8_0009 10 0.05 -0.08 -0.02 0.13 0.12 0.11 61220 68 0 0.74 33 0.78 0.78 2.27 1.000 9_0010 10 0.35 -0.09 -0.16 0.85 0.21 0.35 65096 85 0 0.67 24 0.78 0.78 2.27 1.000 10_0011 8 -0.05 -0.08 0.08 0.11 0.09 0.12 66092 82 0 0.73 28 0.78 0.78 2.27 1.000 11_0012 6 0.01 -0.07 -0.02 0.11 0.08 0.22 42183 62 0 0.75 30 0.78 0.78 2.27 1.000 12_0013 17 -0.02 -0.12 0.07 0.34 0.17 0.20 24158 39 0 0.69 27 0.78 0.78 2.27 1.000 13_0014 8 -0.06 -0.11 0.03 0.15 0.13 0.09 32157 50 0 0.53 27 0.78 0.78 2.27 1.000 14_0015 7 0.22 0.05 -0.01 0.62 0.28 0.18 17914 37 0 0.76 28 0.78 0.78 2.27 1.000 15_0016 8 0.03 -0.06 0.06 0.15 0.11 0.16 57029 46 13 0.60 29 0.78 0.78 2.27 1.000 16_0017 5 0.04 -0.09 -0.03 0.05 0.10 0.07 32137 48 0 0.79 28 0.78 0.78 2.27 1.000 17_0018 9 0.10 -0.07 0.18 0.31 0.09 0.41 30713 53 0 0.72 28 0.78 0.78 2.27 1.000 18_0019 18 0.14 -0.06 -0.08 0.27 0.14 0.21 53271 64 0 0.70 27 0.78 0.78 2.27 1.000 19_0020 13 0.05 -0.16 -0.03 0.15 0.21 0.09 72836 82 0 0.70 30 0.78 0.78 2.27 1.000 Background pixels updated = 93.10% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 -0.06 -0.09 0.01 0.16 0.10 0.12 84927 99 0 0.79 28 0.78 0.78 2.27 1.000 21_0022 12 -0.05 -0.02 0.09 0.22 0.21 0.43 38309 52 0 0.75 28 0.78 0.78 2.27 1.000 22_0023 4 -0.07 -0.09 -0.02 0.10 0.09 0.06 18629 39 0 0.67 30 0.78 0.78 2.27 1.000 23_0024 7 0.29 -0.06 -0.11 0.72 0.09 0.13 22448 40 0 0.67 25 0.78 0.78 2.27 1.000 24_0025 7 0.03 -0.08 0.32 0.13 0.15 0.79 12451 31 0 0.75 27 0.78 0.78 2.27 1.000 25_0026 12 -0.36 -0.17 -0.00 0.87 0.27 0.14 30338 47 0 0.65 27 0.78 0.78 2.27 1.000 26_0027 17 0.11 -0.17 -0.03 0.26 0.32 0.19 38610 56 6 0.74 29 0.78 0.78 2.27 1.000 I/Sigma = 55.48 Thresh = 0.020 Blend = F #Contributing = 57 InitialProfileWt = 0.035 Region 1 Sum = 16076.9; Maximum = 233.167; FM = 0.763 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 0 0 0 4 8 6 4 2 1 0 0 0 0 1 0 0 0 0 0 0 0 5 9 7 3 1 1 1 1 0 13 27 25 16 9 4 2 1 0 0 1 0 0 0 0 0 0 0 5 9 6 3 2 1 1 1 0 13 26 23 16 8 4 2 1 1 0 0 0 0 0 0 0 0 0 4 8 6 3 2 1 1 0 0 12 26 25 17 9 4 2 1 0 0 0 0 0 0 0 0 0 0 3 6 6 4 2 1 1 0 0 9 22 25 20 11 5 2 1 0 0 0 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 6 15 15 12 7 4 2 1 1 0 0 0 0 0 0 0 0 0 1 3 2 1 1 0 0 1 0 3 10 11 9 5 3 2 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 5 7 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 2 1 1 1 1 0 0 !Region 1: Section 4->6 4 10 10 9 6 4 2 1 1 2 6 8 9 10 11 9 5 2 1 2 3 5 8 14 15 9 3 13 36 49 51 42 23 10 4 1 6 25 48 67 71 51 30 14 3 2 8 18 31 43 41 33 20 5 13 37 46 45 37 23 12 5 1 8 27 45 60 67 54 37 19 4 2 9 18 32 49 53 45 27 7 14 38 49 50 41 27 14 6 1 8 27 47 65 75 62 42 22 5 2 9 18 33 52 56 48 31 9 12 38 57 63 56 34 16 7 2 9 32 61 86100 77 48 25 6 3 11 24 44 67 68 54 34 10 8 24 32 34 30 21 12 6 2 5 19 33 47 57 54 41 24 6 2 6 13 26 45 58 54 35 10 5 18 27 31 29 21 11 6 1 4 14 29 42 51 48 34 21 6 1 5 11 21 34 42 41 30 10 2 10 17 22 23 16 9 4 1 2 9 19 31 42 39 29 18 5 1 3 8 16 28 35 35 27 9 1 3 4 5 5 4 3 2 0 1 2 4 6 9 11 13 9 3 0 1 1 3 5 12 19 15 5 !Region 1: Section 7->9 0 0 1 1 3 6 8 5 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 8 12 13 10 3 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 13 19 19 14 4 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 1 2 6 13 19 21 16 5 0 0 0 1 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 1 3 7 15 21 22 17 6 0 0 1 1 1 2 3 3 2 0 0 0 0 0 0 0 1 0 0 1 2 5 13 22 24 19 7 0 0 0 1 1 2 3 4 2 0 0 0 0 0 0 0 1 0 0 1 2 4 8 14 19 17 7 0 0 0 0 1 2 3 4 2 0 0 0 0 0 0 0 1 0 0 1 1 3 7 12 16 15 6 0 0 1 1 1 2 3 4 2 0 0 0 0 0 0 0 1 0 0 0 0 1 1 5 9 9 4 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 I/Sigma = 222.52 Thresh = 0.020 Blend = F #Contributing = 48 InitialProfileWt = 0.046 Region 2 Sum = 218525; Maximum = 3729.09; FM = 0.888 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 4 7 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 2 1 0 1 4 10 19 21 13 6 2 0 0 0 0 0 0 0 0 0 0 1 2 3 4 5 4 2 1 0 2 6 15 25 26 17 8 3 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 3 1 0 1 5 11 21 25 20 10 3 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 3 2 1 0 2 6 13 22 26 19 9 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 1 3 8 15 18 14 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 2 5 11 14 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 0 1 2 1 1 0 0 !Region 2: Section 4->6 1 2 6 15 19 11 3 1 0 0 1 4 12 19 13 4 1 0 0 0 1 5 9 8 3 1 0 1 5 18 47 58 34 12 2 0 0 4 17 51 72 44 16 3 0 0 1 7 22 34 25 11 3 1 2 10 33 68 76 48 19 4 0 1 8 33 77 93 62 25 5 1 0 3 14 35 47 35 17 5 1 2 11 35 65 78 61 26 5 0 1 11 44 83100 80 35 7 1 0 5 21 41 50 42 21 6 1 2 12 37 65 78 62 27 5 0 1 13 47 82100 84 40 8 1 0 6 23 41 52 47 26 8 1 1 7 26 52 63 50 21 4 0 1 8 33 67 85 70 31 7 1 0 4 16 34 45 41 23 8 2 1 3 13 36 48 33 14 3 0 0 3 15 46 64 47 22 6 1 0 2 8 24 34 29 18 9 3 0 2 5 17 25 16 7 2 0 0 1 6 22 33 23 12 5 1 0 1 4 12 20 18 13 8 2 0 0 1 5 8 5 2 1 0 0 0 2 7 11 8 4 2 1 0 0 1 4 6 6 4 4 2 !Region 2: Section 7->9 0 0 1 2 3 3 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 8 5 2 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 14 13 7 3 0 0 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 13 15 15 9 4 1 0 0 2 5 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 2 7 14 18 18 12 6 1 0 1 3 5 6 6 4 3 1 0 0 0 0 0 0 0 0 0 0 2 6 12 18 19 14 8 2 0 1 3 5 7 7 5 3 1 0 0 0 0 0 0 0 0 0 0 2 4 9 14 16 13 9 3 0 1 2 4 5 6 5 4 1 0 0 0 0 0 0 1 1 0 0 1 3 6 10 13 11 8 2 0 1 1 2 4 5 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 4 2 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 147.84 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.090 Region 3 Sum = 111567; Maximum = 2377.8; FM = 0.892 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 3 3 5 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 1 0 0 2 4 7 10 11 14 10 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 1 0 0 1 4 7 11 15 19 11 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 1 3 7 14 21 18 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 0 0 0 1 2 7 16 20 13 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 13 14 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 7 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 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 0 1 3 7 9 10 10 3 0 0 0 2 6 10 12 9 3 0 0 0 1 2 4 6 4 1 0 0 2 7 16 26 29 29 20 3 0 1 6 18 37 41 30 15 2 0 1 2 9 22 24 14 4 0 0 2 9 25 42 47 42 23 3 0 2 11 39 71 66 42 18 2 0 1 6 23 44 37 18 5 1 0 2 11 33 55 62 44 17 2 0 3 21 63 93 83 44 14 1 0 3 14 41 58 45 19 5 1 0 3 14 38 60 61 32 9 1 0 6 32 77100 81 36 8 1 0 6 24 51 62 45 18 4 1 0 3 13 35 52 43 18 4 0 1 8 33 73 86 59 22 5 1 1 8 26 51 54 34 13 3 0 0 3 10 24 31 22 7 2 0 1 8 26 53 56 34 11 3 0 1 9 22 38 38 24 10 3 1 0 2 6 14 14 9 3 1 0 1 6 17 31 29 17 7 2 0 1 7 16 24 23 16 8 3 1 0 0 2 4 4 3 1 0 0 0 1 6 10 7 6 2 1 0 0 1 5 8 6 5 2 1 0 !Region 3: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 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 3 7 9 7 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 11 8 4 2 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 4 8 11 10 7 4 2 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 9 10 9 7 4 2 0 0 2 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 5 8 8 8 7 4 2 0 0 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 3 3 2 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 45.36 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.301 Region 4 Sum = 10121.4; Maximum = 145.186; FM = 0.729 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 0 1 9 18 19 5 2 1 0 0 0 0 1 1 1 0 0 0 0 1 4 5 3 2 1 0 1 0 3 27 38 32 15 5 2 1 0 0 0 1 1 0 0 0 0 0 1 3 4 2 1 1 1 1 0 5 28 34 30 18 7 3 2 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 0 0 1 0 3 21 26 26 17 7 3 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 12 17 18 16 7 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 6 9 11 11 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 3 5 7 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 3 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 !Region 4: Section 4->6 1 14 34 38 11 5 2 0 0 1 9 22 25 14 10 3 1 0 0 2 6 9 12 12 4 2 0 6 47 77 70 36 14 4 2 0 4 27 55 57 42 26 11 4 1 1 6 17 25 31 27 14 6 1 10 53 74 72 47 20 7 3 0 5 30 58 69 60 39 18 7 1 1 6 21 38 46 42 23 9 1 7 39 59 67 50 24 9 4 0 4 23 51 75 79 56 27 11 1 1 6 22 47 69 63 34 14 2 4 23 39 49 49 26 10 5 1 2 15 36 66 88 71 39 15 2 1 6 17 48 81 85 54 20 3 2 12 21 33 38 25 10 5 1 1 8 22 51 79 79 47 20 3 1 3 12 41 81100 68 28 4 1 5 11 19 26 21 10 5 1 0 3 12 33 63 74 51 23 4 0 2 8 30 69 97 76 35 5 1 3 4 9 14 13 8 4 1 0 2 6 18 40 61 45 21 3 0 2 5 19 48 87 72 33 4 0 1 1 2 5 5 3 1 0 0 1 2 6 17 23 22 7 1 0 1 2 7 21 35 37 12 2 !Region 4: Section 7->9 0 0 1 2 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 5 9 10 5 3 0 0 0 1 1 1 0 1 1 0 0 0 0 1 1 1 1 0 0 0 1 3 8 13 16 9 4 1 0 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 11 21 23 14 6 1 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 3 12 25 33 23 8 1 0 0 1 1 1 2 2 1 0 0 0 1 0 0 0 0 0 0 0 1 3 11 27 40 31 13 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 1 2 9 24 39 35 17 2 0 0 0 1 1 2 3 1 0 0 0 0 0 0 1 1 0 0 0 1 2 7 18 36 34 16 2 0 1 0 1 1 2 3 2 0 0 0 0 0 0 1 0 0 0 0 0 1 3 9 15 18 6 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.22 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 5 Sum = 5655.82; Maximum = 71.1474; FM = 0.757 !Region 5: Section 1->3 0 0 0 0 0 0 0 1 0 0 2 1 0 1 0 1 1 0 1 8 6 3 2 2 1 1 0 0 0 0 0 1 0 0 1 0 1 5 4 3 2 1 1 0 0 2 19 18 11 6 3 2 1 0 0 1 1 0 1 1 0 0 0 1 5 5 3 2 1 1 1 0 3 21 24 17 7 3 2 2 0 0 1 0 0 0 0 1 0 0 1 6 5 4 1 1 2 0 0 3 22 25 19 7 3 2 1 0 0 0 0 0 0 -1 1 1 0 1 5 4 3 1 1 2 1 0 2 18 20 15 8 4 4 2 0 0 0 0 0 0 0 1 1 0 0 2 3 2 1 1 1 0 0 1 10 13 12 8 5 2 0 0 0 0 1 0 -1 -1 0 1 0 0 2 2 3 0 0 1 1 0 1 5 7 9 5 4 2 1 0 0 1 0 0 0 -1 0 0 0 0 1 1 1 0 0 0 1 0 0 2 4 4 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 !Region 5: Section 4->6 1 13 14 13 10 5 5 2 0 1 10 16 20 18 10 11 6 0 0 3 7 10 12 10 12 7 0 4 38 49 37 28 18 10 6 1 4 38 62 57 52 38 26 16 2 1 14 26 29 32 31 29 17 2 6 53 69 54 38 25 15 10 1 6 65 91 81 74 58 40 24 2 2 26 39 42 47 48 44 27 3 6 53 73 64 44 29 21 13 1 6 62 99100 87 73 58 38 4 2 25 45 52 58 66 64 45 5 4 41 62 60 51 32 26 15 2 4 49 85 98 99 81 69 45 5 2 20 39 52 65 75 73 55 7 2 25 43 52 45 32 23 13 1 3 30 60 86 88 77 67 49 5 1 13 27 45 58 71 75 64 8 1 12 24 36 33 24 18 12 1 1 14 35 60 66 58 54 44 6 1 6 16 31 43 54 62 60 9 1 5 11 16 19 15 12 8 1 1 7 17 26 39 36 36 26 3 0 4 9 14 26 34 42 36 4 0 1 2 5 6 4 4 2 0 0 1 3 7 10 10 11 4 0 0 1 2 4 7 11 12 3 0 !Region 5: Section 7->9 0 0 1 2 6 4 5 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 10 13 8 1 0 0 1 2 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 2 3 6 10 16 19 13 1 0 1 2 1 1 1 0 2 0 0 0 1 0 1 0 -1 0 0 0 3 4 7 13 25 28 20 2 0 1 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 7 15 27 30 26 3 0 1 1 0 1 1 1 1 0 0 0 0 0 -1 -1 0 0 0 0 2 3 6 14 26 32 30 4 0 1 1 2 2 1 1 0 0 0 1 0 0 0 -1 0 0 0 0 1 2 4 11 20 28 31 5 0 1 0 1 2 2 2 2 0 0 1 0 0 0 1 0 0 0 0 1 2 3 6 12 20 20 2 0 1 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 4 5 2 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 12.68 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 6 Sum = 500.769; Maximum = 6.46774; FM = 0.57 !Region 6: Section 1->3 0 0 -1 0 0 0 2 3 0 0 3 2 1 1 1 2 1 0 3 26 18 15 11 5 0 0 1 0 -2 -5 0 2 -2 11 13 1 0 4 2 2 6 4 11 8 1 5 42 32 19 27 22 9 0 0 0 2 -3 0 6 -1 11 15 1 0 4 6 3 9 2 6 10 1 7 43 49 28 32 20 7 3 0 0 4 -9 0 6 -2 2 4 1 1 11 5 3 5 0 -1 4 0 8 60 57 38 26 16 7 8 1 1 9 -2 -3 2 1 7 1 0 1 11 5 1 3 1 5 3 0 6 45 47 36 22 16 12 10 1 1 5 -1 -2 4 6 13 1 0 1 5 4 1 2 6 12 1 0 6 28 38 30 15 16 12 5 0 0 5 -3 -3 -1 4 8 0 0 0 4 5 1 0 3 7 -3 0 3 15 31 25 18 12 10 -5 -2 0 -2 -2 0 0 5 8 -3 0 0 -2 1 2 1 4 5 -3 0 1 4 16 16 13 12 10 -3 -1 0 1 -2 -2 -1 1 0 -1 0 -1 -3 -2 -1 -1 0 0 0 0 -1 -8 1 3 1 0 0 0 0 !Region 6: Section 4->6 5 45 31 28 20 3 -3 0 0 2 17 11 12 12 6 3 3 2 0 -1 -2 0 7 10 11 7 2 9 70 48 34 37 30 6 1 0 4 27 21 22 34 31 27 20 1 0 1 5 13 35 36 48 41 4 13 86 76 51 51 36 18 7 0 5 34 33 47 45 40 46 33 1 -1 -5 6 45 43 45 66 61 4 15100 83 71 55 33 23 11 2 6 39 37 71 58 40 45 28 2 -1 -2 12 74 62 52 62 54 6 11 79 78 68 42 37 26 14 1 5 34 39 42 45 49 47 30 2 0 1 18 27 52 66 69 66 7 11 55 63 58 34 29 15 9 1 4 24 33 33 32 39 42 29 3 0 0 13 12 29 53 70 71 8 7 32 42 46 37 27 13 0 -3 3 12 19 31 22 30 25 14 0 0 -4 3 18 11 36 39 36 4 2 12 26 28 27 24 22 -2 -2 1 9 13 18 14 28 31 8 0 0 5 1 11 4 37 40 20 1 -1 -3 3 4 2 1 1 2 0 0 5 5 4 4 8 10 2 0 0 7 4 5 3 16 17 6 1 !Region 6: Section 7->9 0 0 -2 -1 3 6 7 6 2 0 -1 -5 -2 -2 0 0 1 1 0 -2 -5 -2 -3 -1 -1 0 0 0 2 1 2 12 16 23 27 3 0 4 -3 -6-10 -2 1 5 1 0 3 -3 -5-11 -3 -2 -1 0 0 -1 1 17 16 21 30 37 4 0 5 3 -2 -6 -3 1 3 1 0 5 4 -3 -7 -6 -1 -4 0 0 -2 7 34 28 30 30 36 6 0 1 8 4 -2 1 -2 3 2 0 2 8 1 -5 -5 -6 -5 0 0 -3 8 12 27 38 37 51 8 0 -4 -7-10 1 3 6 8 1 0 -3 -9-12 -2 -4 1 -5 -2 0 -1 5 0 11 28 40 61 9 0 6 -2 -7 -2 0 14 16 2 0 7 -2 -6 -3 -4 9 0 -1 0 -4 -3 4 2 21 20 32 5 0 -4 -1 5 -7 3 -1 7 1 0 -3 1 7 -7 -1 -4 -2 0 0 0 -4 2 -1 24 19 15 2 0 -5 -5 -2 -4 8 3 10 1 0 -5 -4 -2 -4 4 1 7 1 0 2 -1 1 -1 11 9 6 1 0 -3 -7 -5 -3 2 5 9 1 0 -3 -7 -5 -3 0 4 8 1 I/Sigma = 38.83 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 7 Sum = 6279.58; Maximum = 95.4419; FM = 0.732 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 2 6 6 4 3 3 2 0 0 0 0 1 0 1 0 0 0 0 1 1 2 1 1 1 1 0 1 5 9 8 6 5 3 2 0 0 0 1 1 0 0 0 0 0 0 1 3 3 2 1 1 1 0 1 7 11 10 7 4 3 2 0 0 0 0 1 1 0 0 0 0 0 1 2 3 2 0 1 0 0 1 9 11 9 7 4 3 1 0 0 0 0 0 1 0 0 0 0 0 1 1 2 2 0 1 1 0 1 8 8 7 7 3 2 1 0 0 0 0 0 1 1 0 1 0 0 1 0 1 2 2 1 1 0 1 6 7 5 4 3 2 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 1 0 2 0 1 4 5 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 1 1 1 0 0 !Region 7: Section 4->6 0 4 12 20 14 13 7 4 1 0 6 17 28 20 21 11 6 1 0 2 6 10 8 10 7 3 1 2 18 38 43 33 28 22 13 2 2 25 52 61 50 47 37 22 3 1 9 18 23 22 24 20 13 2 3 33 53 56 47 37 29 16 2 4 44 74 83 74 63 50 30 3 1 15 27 33 33 32 27 20 2 4 39 66 66 54 40 29 18 2 5 52 95100 89 70 52 34 4 2 18 37 41 42 36 29 22 3 5 44 66 63 51 41 26 14 2 6 57 95 96 83 71 47 28 3 2 20 37 39 38 37 27 20 2 5 40 54 51 40 32 22 11 2 6 53 78 78 64 54 38 20 3 2 19 30 32 31 27 22 15 2 4 33 45 41 29 22 16 9 1 5 43 64 61 47 36 28 17 2 2 15 24 25 23 18 16 11 2 3 24 33 28 20 14 10 6 1 3 30 46 41 33 24 18 11 1 1 10 17 16 15 12 10 7 1 1 9 11 9 6 5 5 2 0 1 10 14 13 10 9 8 3 0 0 3 5 5 5 4 4 2 0 !Region 7: Section 7->9 0 1 0 1 1 2 3 2 0 0 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 5 7 6 1 0 1 1 1 1 2 3 2 1 0 1 0 1 1 1 1 0 0 0 1 2 2 4 6 7 9 2 0 1 2 1 2 2 3 3 1 0 1 0 1 1 1 1 0 0 0 1 3 2 5 6 7 11 3 0 1 2 1 2 2 2 5 1 0 0 1 1 1 1 1 1 0 0 1 2 2 4 7 7 13 2 0 1 1 1 2 2 2 6 1 0 0 1 1 1 1 0 1 0 0 2 1 2 4 6 6 12 2 0 1 0 1 2 3 2 6 1 0 0 0 0 1 1 0 1 0 0 2 1 2 4 4 6 7 2 0 2 0 1 2 2 3 4 1 0 0 0 0 1 1 0 1 0 0 0 1 1 3 3 5 5 1 0 1 0 1 1 1 3 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 53.27 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 8 Sum = 13603.3; Maximum = 179.529; FM = 0.763 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 2 3 4 3 2 1 1 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 1 1 1 0 1 6 9 11 7 5 3 2 1 0 0 0 1 0 0 0 1 0 0 2 2 2 1 1 1 1 0 3 12 13 15 9 5 3 2 1 0 0 0 1 0 0 1 1 0 1 3 2 2 1 1 1 2 1 4 17 19 19 11 6 3 2 1 0 1 1 0 0 0 1 0 0 1 3 3 2 1 1 1 1 0 5 20 23 21 13 7 3 2 0 0 1 0 0 0 0 0 0 0 1 3 2 2 1 1 1 1 0 5 20 22 20 11 7 3 2 0 0 1 1 0 0 0 0 0 0 1 4 3 2 1 1 1 1 0 4 19 20 16 9 5 2 1 0 0 1 1 0 0 1 0 0 0 1 3 2 1 1 1 1 1 0 4 14 14 12 7 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 1 4 5 5 3 2 1 1 0 !Region 8: Section 4->6 0 3 6 13 14 14 7 3 0 0 2 7 17 31 28 19 8 1 0 1 4 9 24 22 22 11 2 2 11 24 40 38 31 17 8 1 1 9 28 56 72 64 46 24 4 0 3 13 29 48 53 52 32 6 5 23 40 59 49 34 19 10 2 3 18 47 82 88 72 48 27 4 1 7 20 39 56 57 52 34 6 8 37 58 71 57 37 19 9 2 5 31 66 95 99 74 48 25 4 1 11 27 45 60 55 47 32 6 9 44 67 76 58 36 19 8 1 6 38 75100 97 66 44 22 3 2 13 30 45 57 46 41 27 5 9 46 70 71 48 30 15 6 1 6 41 79 91 77 52 33 16 2 1 13 31 40 43 34 31 20 3 8 42 60 55 36 22 11 5 1 6 38 67 68 55 37 23 11 2 1 12 26 30 31 24 20 13 2 7 32 44 42 26 15 7 3 1 5 28 49 52 39 25 16 8 1 1 8 18 22 22 17 14 9 1 2 9 15 18 9 6 2 1 0 2 8 17 22 13 10 6 3 0 0 2 7 10 7 7 5 3 0 !Region 8: Section 7->9 0 1 1 2 7 9 13 8 2 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 12 21 29 22 6 0 0 1 1 2 5 7 6 2 0 0 0 0 0 0 0 0 0 0 2 2 6 13 20 28 22 5 0 1 0 0 2 4 7 5 2 0 0 0 0 0 0 0 0 0 1 2 3 6 12 18 23 20 4 0 1 0 1 1 4 5 5 1 0 0 0 0 0 0 0 0 0 0 2 3 5 10 14 19 16 4 0 0 1 1 1 3 4 4 1 0 0 0 0 0 1 0 0 0 0 1 4 5 8 9 14 13 3 0 0 1 1 1 2 3 3 1 0 0 0 0 0 1 1 0 0 0 1 2 4 5 6 8 7 2 0 1 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 3 3 4 5 4 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 138.95 Thresh = 0.020 Blend = F #Contributing = 35 InitialProfileWt = 0.069 Region 9 Sum = 92728.5; Maximum = 1633.86; FM = 0.863 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 3 8 10 6 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 1 4 10 16 11 4 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 2 5 13 20 16 7 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 1 4 10 20 19 11 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 4 7 14 16 11 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 5 8 10 8 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 2 3 4 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 !Region 9: Section 4->6 0 2 8 9 8 5 2 0 0 0 3 15 22 25 18 6 1 0 0 3 13 20 25 18 7 1 0 1 7 21 33 27 14 5 2 0 1 11 38 64 62 38 16 5 1 1 10 31 51 52 35 17 6 1 1 9 28 49 40 22 8 2 0 2 16 51 85 81 52 23 7 1 2 15 41 64 66 47 23 8 2 2 9 31 58 56 32 12 4 1 2 15 52 96100 68 31 10 2 2 13 41 72 76 57 30 12 3 2 9 26 52 60 42 17 5 1 2 12 41 79100 79 41 15 3 1 8 30 57 73 62 37 15 3 2 6 17 36 46 38 19 7 1 1 7 24 54 72 62 39 17 3 1 4 17 40 52 46 33 16 4 1 5 11 22 29 27 16 7 1 1 4 12 31 45 44 31 16 3 0 2 7 21 33 33 26 14 3 1 3 6 11 16 15 10 5 1 1 3 6 14 24 26 21 12 3 0 1 3 9 17 21 18 11 3 0 1 1 3 4 4 3 2 0 0 1 1 3 4 5 8 5 1 0 0 1 1 2 3 7 5 1 !Region 9: Section 7->9 0 1 3 5 7 6 3 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 3 8 12 13 11 6 3 1 0 0 1 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 1 5 10 16 17 14 9 5 2 0 0 1 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 4 10 17 18 16 11 7 3 0 0 1 1 1 2 2 3 2 0 0 0 0 0 0 0 1 0 0 2 7 14 17 17 12 7 3 0 0 0 1 1 2 2 3 2 0 0 0 0 0 0 0 0 0 0 1 4 10 13 13 11 7 3 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 8 9 9 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 4 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 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 (212 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) 212 0 212 5.6642 0.8684 15.645 125.184 Orientation ('UB') matrix: 0.1439839 0.0358257 -0.0039319 0.0300389 -0.0024732 0.0771317 0.0659309 -0.0771116 -0.0043006 A B C Alpha Beta Gamma Vol 6.2475 11.7559 13.0185 90.000 96.758 90.000 949.49 0.0004 0.0005 0.0013 0.000 0.006 0.000 0.17 Corrected for goodness of fit: 0.0010 0.0012 0.0032 0.000 0.014 0.000 0.43 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.086 95.996 24.286 Goniometer zeros (deg): 0.0000* -0.0114 0.0000* 0.0234 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0544 -0.4823 0.0703 -0.2200 -0.1995 0.8227 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.00225e+03 3.67900e+03 2.49 6 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 212 212 183 Average input ESD (pix, pix, deg): 0.14240 0.11402 0.04778 Goodness of fit: 2.73701 2.25900 2.34813 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.001 2.409 2.168 Average missing volume: 0.046 % with too much missing I: 3.472 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 10:24:34 Current XYZ spot size: 2.001 2.409 2.168 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): 0.280 0.279 0.319 Profile convolver halfwidth: 1.00 1.00 1.84 Background pixels updated = 92.03% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 3.10 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 3.10 1.000 2_0003 8 -0.12 -0.05 -0.00 0.30 0.13 0.15 46409 61 0 0.76 24 2.70 3.88 3.10 1.000 3_0004 6 -0.00 -0.05 0.03 0.14 0.06 0.04 18783 38 0 0.52 26 2.31 3.29 2.98 1.000 4_0005 5 -0.07 -0.05 0.05 0.10 0.08 0.09 83067 81 0 0.69 26 2.35 3.30 2.95 1.000 5_0006 14 -0.21 0.11 0.05 1.13 0.25 0.11 38178 56 0 0.70 27 2.20 3.08 2.91 1.000 6_0007 11 0.22 -0.08 -0.02 0.57 0.10 0.10 33244 46 9 0.65 27 2.31 3.19 2.88 1.000 7_0008 7 -0.05 -0.04 0.01 0.22 0.19 0.06 70112 73 0 0.81 27 2.30 3.21 2.91 1.000 8_0009 10 -0.01 -0.02 -0.03 0.08 0.07 0.07 68531 73 0 0.80 32 2.33 3.33 2.93 1.000 9_0010 10 0.39 -0.10 -0.08 1.22 0.26 0.16 73909 90 0 0.74 23 2.44 3.41 2.84 1.000 10_0011 8 -0.02 -0.03 0.02 0.08 0.07 0.05 75517 87 0 0.79 27 2.42 3.47 2.83 1.000 11_0012 6 -0.04 -0.04 0.02 0.10 0.05 0.06 49448 67 0 0.82 27 2.39 3.45 2.83 1.000 12_0013 17 -0.10 -0.09 0.03 0.44 0.15 0.07 31188 44 0 0.75 27 2.39 3.47 2.79 1.000 13_0014 8 0.10 -0.01 -0.03 0.39 0.15 0.06 44114 59 0 0.61 27 2.44 3.50 2.78 1.000 14_0015 6 -0.05 -0.01 0.03 0.09 0.04 0.05 25791 46 0 0.82 28 2.40 3.49 2.79 1.000 15_0016 8 0.09 -0.04 -0.03 0.19 0.18 0.08 65471 50 13 0.67 29 2.42 3.50 2.79 1.000 16_0017 5 -0.00 -0.00 -0.10 0.05 0.04 0.13 39622 52 0 0.84 28 2.40 3.53 2.78 1.000 17_0018 9 0.13 0.00 -0.00 0.35 0.04 0.10 36347 57 0 0.77 28 2.36 3.48 2.76 1.000 18_0019 18 0.08 -0.07 -0.03 0.38 0.33 0.10 64622 70 0 0.76 26 2.36 3.56 2.75 1.000 19_0020 13 0.00 -0.02 -0.04 0.10 0.08 0.06 82955 88 0 0.76 30 2.38 3.61 2.77 1.000 Background pixels updated = 92.40% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 -0.05 -0.00 -0.00 0.12 0.05 0.04 98590 108 0 0.85 26 2.38 3.62 2.73 1.000 21_0022 12 -0.15 0.08 0.03 0.55 0.38 0.26 46008 57 0 0.77 27 2.38 3.62 2.73 1.000 22_0023 4 -0.07 0.05 -0.08 0.12 0.16 0.11 23628 44 0 0.75 28 2.38 3.63 2.75 1.000 23_0024 6 -0.00 -0.03 -0.07 0.07 0.05 0.07 36043 53 0 0.77 27 2.38 3.64 2.75 1.000 24_0025 7 0.05 0.02 -0.04 0.10 0.09 0.09 19949 37 0 0.79 26 2.39 3.64 2.75 1.000 25_0026 12 -0.08 0.03 -0.04 0.69 0.08 0.10 38800 54 0 0.73 27 2.42 3.67 2.76 1.000 I/Sigma = 64.41 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.041 Region 1 Sum = 27489.8; Maximum = 1116.21; FM = 0.894 !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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 1 2 2 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 2 6 5 1 1 0 0 0 0 3 10 12 4 1 1 0 0 0 1 1 1 0 0 0 0 0 0 3 10 10 3 1 1 0 0 1 5 22 29 11 2 1 1 0 0 1 1 1 0 0 0 0 0 0 2 8 10 3 1 1 0 0 1 4 20 32 15 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 2 7 12 8 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 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 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 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 2 3 3 1 1 0 0 0 0 1 2 4 2 1 1 0 0 0 0 1 2 2 1 1 0 0 2 7 15 14 5 1 0 0 0 1 3 13 22 11 3 1 0 0 0 1 5 14 11 4 1 0 0 3 18 44 39 12 2 1 0 0 1 8 41 67 34 7 1 0 0 1 3 18 46 40 12 2 0 0 3 21 58 56 19 3 1 0 0 2 12 60100 56 12 2 0 0 1 4 27 76 69 21 3 1 0 2 8 26 32 13 3 1 0 0 1 5 30 58 41 11 2 0 0 1 2 14 44 52 20 4 1 0 1 2 6 9 5 1 1 0 0 0 2 7 18 15 6 1 0 0 0 1 4 13 19 11 3 1 0 0 1 2 2 1 1 0 0 0 0 1 2 4 3 2 1 0 0 0 1 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 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 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 12 18 8 2 1 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 1 0 0 1 1 4 23 33 15 4 1 0 0 0 1 2 5 6 4 1 0 0 0 0 0 1 1 1 1 0 0 1 2 14 26 16 6 1 0 0 0 1 2 5 8 5 1 0 0 0 0 0 1 2 2 1 0 0 0 1 4 11 10 4 1 0 0 0 0 1 3 6 4 1 0 0 0 0 0 1 1 2 1 0 0 0 1 1 3 3 2 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 207.84 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.053 Region 2 Sum = 239090; Maximum = 19694.3; FM = 0.813 !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 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 0 1 11 21 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 0 2 14 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 1 5 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 7 2 0 0 0 0 0 0 1 4 2 0 0 0 0 0 1 21 51 12 0 0 0 0 0 1 19 56 14 0 0 0 0 0 0 8 29 10 1 0 0 0 0 2 37 82 23 1 0 0 0 0 1 42100 30 1 0 0 0 0 1 21 56 21 1 0 0 0 0 1 13 36 10 0 0 0 0 0 0 15 44 13 1 0 0 0 0 0 9 28 14 2 0 0 0 0 0 1 4 1 0 0 0 0 0 0 1 5 2 0 0 0 0 0 0 1 4 4 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 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 2 9 5 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 21 11 2 0 0 0 0 0 3 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 15 12 2 0 0 0 0 0 2 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 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 = 174.93 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.103 Region 3 Sum = 156029; Maximum = 12967.4; FM = 0.824 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 1 4 12 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 4 18 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 6 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 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 7 7 2 0 0 0 0 0 2 6 5 1 0 0 0 0 0 1 3 2 0 0 0 0 0 1 8 32 29 4 0 0 0 0 0 10 45 27 3 0 0 0 0 0 7 29 12 1 0 0 0 0 1 17 62 29 1 0 0 0 0 1 36100 33 1 0 0 0 0 1 29 68 18 1 0 0 0 0 1 11 26 7 0 0 0 0 0 2 27 49 11 1 0 0 0 0 3 26 39 11 1 0 0 0 0 1 2 3 1 0 0 0 0 0 1 6 8 3 0 0 0 0 0 3 8 9 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 6 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 9 15 5 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 11 13 5 1 0 0 0 0 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 6 3 1 0 0 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 54.13 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.344 Region 4 Sum = 17576.6; Maximum = 636.739; FM = 0.804 !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 1 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 2 3 2 0 0 0 0 0 1 4 8 9 3 1 0 0 0 0 0 0 1 0 0 0 0 0 1 2 4 4 1 0 0 0 0 1 6 20 29 11 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 3 5 2 1 0 0 0 0 3 21 48 27 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 7 29 26 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 6 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 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 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 3 9 16 6 1 0 0 0 0 1 4 8 4 1 1 1 0 0 1 1 1 2 2 2 1 0 1 6 29 54 24 3 1 1 0 0 2 13 29 16 3 1 1 0 0 0 2 5 7 4 2 1 1 0 4 36100 63 8 1 1 0 0 2 19 64 59 14 2 1 0 0 0 3 16 34 16 2 1 1 0 1 14 66 74 18 3 1 1 0 1 8 53 99 44 6 1 0 0 0 2 22 83 56 9 2 0 0 1 2 13 30 15 4 1 0 0 1 2 15 65 54 12 2 0 0 1 1 11 75 82 22 3 0 0 0 1 3 5 5 2 1 0 0 0 1 3 17 24 9 2 0 0 0 1 3 26 42 19 4 0 0 1 1 1 1 1 1 1 0 0 1 1 1 4 8 4 1 0 0 1 0 1 7 15 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 4 2 0 0 !Region 4: Section 7->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 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 1 0 1 0 0 0 1 3 10 8 2 1 0 0 0 0 1 1 2 1 1 0 0 0 0 1 1 1 0 0 0 0 0 1 6 29 28 6 1 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 32 45 15 3 0 0 0 1 1 3 7 4 2 0 0 0 0 0 0 1 1 1 0 0 0 1 1 12 25 15 5 1 0 0 0 1 2 5 5 4 1 0 0 0 1 1 1 1 2 1 0 0 0 1 4 10 9 4 1 0 0 0 0 1 4 6 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 41.96 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 5 Sum = 10695.1; Maximum = 404.667; FM = 0.857 !Region 5: Section 1->3 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 1 1 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 2 2 1 1 1 1 0 0 1 1 1 1 0 0 0 0 0 2 5 4 2 1 0 0 0 0 2 10 10 7 2 0 0 0 0 1 2 2 1 1 1 0 0 0 2 8 10 6 3 1 0 0 0 3 16 28 22 8 2 1 1 0 0 1 1 1 0 1 0 0 0 1 4 7 6 3 2 1 1 1 1 6 19 24 12 3 2 1 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 1 1 1 0 0 2 4 7 6 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 1 0 0 0 1 1 1 1 1 0 1 2 2 2 2 1 1 1 0 1 2 2 3 3 3 2 2 1 0 1 1 2 2 3 2 2 1 2 9 14 14 7 2 2 1 0 1 4 10 15 10 7 3 1 0 1 2 4 7 6 7 3 2 1 2 15 39 53 32 12 4 1 0 1 7 29 65 55 31 9 2 0 1 2 10 28 35 31 11 3 0 1 6 28 60 55 26 9 2 0 1 4 23 78100 70 27 5 0 1 2 9 36 67 75 34 8 1 0 2 5 17 26 17 7 1 0 0 2 5 23 49 48 28 6 1 1 1 2 12 34 55 41 13 2 0 1 1 2 4 3 2 1 0 0 1 2 3 7 10 9 4 1 0 1 1 2 6 13 17 8 2 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 0 1 1 1 1 2 3 3 2 1 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 5: Section 7->9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 0 0 0 0 0 1 0 1 1 0 0 0 0 -1 0 0 0 0 0 0 1 1 1 2 4 2 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 3 9 14 6 3 1 0 -1 0 1 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 17 34 19 6 1 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 1 1 0 0 1 1 2 10 28 27 13 3 0 0 0 1 2 4 7 7 3 0 0 0 0 0 0 1 2 1 0 0 0 1 3 8 12 9 3 0 0 0 1 1 2 3 5 2 0 0 1 0 0 0 0 2 1 0 1 0 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 11.74 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.766 Region 6 Sum = 933.935; Maximum = 34.9343; FM = 0.578 !Region 6: Section 1->3 0 0 1 -1 1 1 -1 0 0 0 2 0 0 1 1 0 1 0 0 0 0 1 3 0 3 4 2 2 0 0 -1 0 0 -2 0 0 1 1 1 0 1 0 0 0 0 1 0 3 3 2 1 6 3 1 2 2 2 5 3 2 0 0 2 2 1 1 4 2 1 -1 1 2 0 -2 9 7 4 0 2 4 0 -2 3 3 0 0 5 6 2 2 -1 4 5 2 2 3 5 2 2 4 12 36 34 22 4 3 3 2 0 3 6 2 1 6 3 1 1 0 4 8 7 4 6 4 1 1 3 14 43 58 37 17 8 2 2 -1 1 2 -1 1 5 1 0 0 0 1 2 2 2 4 1 2 2 1 5 15 25 20 11 2 3 0 1 0 -1 -1 2 4 1 2 0 1 1 -1 -1 0 3 1 2 2 1 4 0 1 1 4 0 3 2 1 1 0 -2 1 1 -1 -1 0 0 0 0 -3 -1 0 -1 -1 0 -2 -4 -3 -4 -7 -1 0 1 2 0 0 -1 -1 2 -1 -1 0 2 0 0 -1 -1 1 -1 -1 0 1 0 -2 -1 -1 -1 -2 -1 1 1 !Region 6: Section 4->6 0 1 1 1 4 1 5 5 4 0 1 2 1 1 0 3 2 2 -2 -1 1 -2 -2 -1 2 2 1 2 1 5 5 5 4 10 6 3 1 2 3 2 2 2 3 3 2 -1 1 0 -4 -3 3 -1 0 1 0 -1 18 14 10 2 6 7 1 0 1 8 7 6 4 5 5 0 0 0 -2 0 3 8 6 4 2 4 17 62 63 39 9 4 7 4 1 7 26 28 22 14 7 4 2 -1 1 1 3 13 31 26 7 1 4 22 74100 64 29 10 3 3 2 10 32 46 36 36 14 5 2 1 4 2 11 28 73 53 16 4 2 9 26 43 37 19 2 5 1 2 5 11 18 18 19 7 5 1 1 1 -2 -1 7 38 36 17 5 1 5 1 6 5 8 -1 2 3 0 2 -1 3 5 6 1 2 1 -2 -2 -5 -3 6 11 13 6 1 -2 -2 -1 -2 -7 -1 2 3 3 0 2 1 1 -1 1 2 3 2 1 2 0 0 1 6 4 3 0 -1 -1 -1 -1 0 -2 0 2 3 0 0 0 -1 -1 0 1 1 1 2 3 0 -2 -3 2 3 3 0 !Region 6: Section 7->9 -2 -4 -1 -3 -3 -1 -1 0 1 -1 -3 0 -2 -1 -2 -2 1 1 -1 -2 0 -1 0 -3 -2 1 1 -1 -2 -4 -7 -5 3 -1 0 1 -1 -3 -3 -3 -1 0 -3 1 3 -1 -2 -1 0 0 -1 -4 2 4 -1 -2 -4 -1 2 8 5 2 3 -1 -4 -3 -2 0 2 1 2 3 0 -4 -2 -2 -1 1 0 4 3 0 1 0 3 8 26 30 9 1 1 -1 0 3 -1 7 11 2 0 0 -2 1 4 -2 2 2 -2 -1 0 3 -1 6 22 60 59 16 5 2 1 -1 -1 2 10 17 2 -1 0 0 0 -2 -3 -1 -2 -5 -5 -1 -2 -4 -3 5 34 43 20 7 0 -2 -1 -2 1 7 12 6 1 0 0 0 -1 0 -1 -3 -2 -2 -2 -4 -5 -4 5 13 17 8 2 0 -3 -1 -1 2 4 5 0 -1 1 -2 1 0 2 0 -1 -4 -3 -1 0 -2 -3 1 7 5 2 0 -1 -3 -5 -5 -1 4 0 -1 -1 -1 -4 -6 -6 -1 2 -2 -2 -1 0 1 -1 -2 -1 3 2 2 0 1 -2 -1 -1 0 2 1 -1 0 0 -2 -2 -2 -1 1 0 -2 0 I/Sigma = 35.06 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 7 Sum = 6732.17; Maximum = 274.939; FM = 0.89 !Region 7: Section 1->3 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 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 3 2 2 1 0 0 1 1 1 1 1 1 1 0 0 1 2 2 2 2 2 1 0 0 0 2 5 10 8 5 1 0 0 1 2 1 1 1 1 0 0 0 1 5 5 4 3 2 1 1 0 1 6 13 19 13 5 1 1 0 1 2 1 1 1 1 0 0 0 1 4 4 2 3 1 1 0 0 1 5 9 11 7 3 1 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 2 1 1 1 0 0 0 2 2 3 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 1 1 0 1 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 -1 0 !Region 7: Section 4->6 0 0 1 0 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 1 1 2 2 1 1 0 0 1 2 1 3 3 2 2 0 0 1 1 1 3 2 1 2 0 0 1 3 6 9 9 4 2 0 0 1 3 6 12 14 8 3 1 0 2 2 3 6 9 7 4 1 0 2 9 34 40 26 10 2 1 0 2 10 41 61 48 23 6 1 0 1 4 16 32 34 24 7 2 0 6 28 69 63 30 10 2 0 1 5 29 88100 60 24 6 1 1 2 11 36 53 45 28 8 1 0 5 20 41 30 13 5 1 0 0 5 22 52 45 23 9 3 1 1 2 8 21 24 17 11 4 1 0 1 6 9 8 3 1 1 0 0 2 8 12 10 5 2 2 0 0 2 4 6 5 4 3 2 0 0 0 2 2 1 1 0 0 0 0 1 3 2 2 2 1 1 0 1 1 2 2 1 1 1 1 0 0 0 0 1 0 0 0 -1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 !Region 7: Section 7->9 1 1 0 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 2 1 1 2 2 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 1 1 0 1 2 2 2 4 6 4 1 0 1 1 1 1 2 3 3 1 0 0 0 0 0 1 0 1 1 0 1 2 3 6 14 18 8 3 0 1 1 2 2 5 8 5 2 0 1 1 1 0 1 1 1 1 1 1 3 3 9 19 23 10 2 0 1 1 1 2 6 11 6 2 0 0 0 0 1 1 1 2 0 1 1 2 3 6 10 13 5 1 0 0 2 1 3 5 6 3 0 0 0 1 0 1 1 1 1 0 1 1 2 3 3 3 4 2 0 1 1 1 2 1 2 2 1 0 1 0 1 1 0 1 1 1 0 1 1 1 2 1 2 2 2 0 1 0 1 1 1 1 2 2 0 0 0 0 1 0 1 1 1 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 60.62 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 8 Sum = 21735.2; Maximum = 998.727; FM = 0.889 !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 0 0 0 0 0 1 1 1 1 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 1 2 2 1 1 0 0 0 0 1 1 1 1 0 0 0 1 1 2 2 1 1 1 0 0 1 4 10 10 4 2 1 0 0 0 1 1 1 1 0 0 0 0 1 4 4 2 1 1 1 0 0 3 14 26 17 4 2 1 0 0 0 0 1 0 0 0 0 0 0 2 4 3 2 1 1 1 0 1 4 14 19 11 3 1 1 0 0 0 0 0 1 0 0 0 0 0 1 2 1 1 1 1 1 0 0 2 4 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 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 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 1 1 2 4 2 1 0 0 0 0 1 2 4 3 1 0 0 1 1 3 9 8 3 1 0 0 0 1 3 17 20 7 2 0 0 0 1 2 14 23 10 2 0 0 1 6 26 42 20 5 1 0 0 1 4 29 72 47 13 2 0 0 1 2 14 49 50 17 3 0 0 3 21 66 66 21 5 1 1 0 2 14 70100 46 11 2 0 0 1 5 29 58 44 15 2 0 0 4 20 49 38 10 2 1 0 0 2 13 50 52 20 5 1 0 0 1 4 19 28 17 6 1 0 0 2 5 11 9 2 1 1 0 0 1 3 12 13 4 2 1 0 0 1 1 5 7 4 2 1 0 0 1 1 2 1 1 1 1 0 0 0 1 2 2 1 1 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: 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 3 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 6 14 8 3 1 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 1 1 0 0 0 1 3 15 28 14 4 1 0 0 0 1 3 8 6 4 1 0 0 0 0 0 0 1 1 0 0 0 1 4 13 22 11 3 0 0 0 0 1 2 6 5 2 0 0 0 0 0 0 0 1 1 0 0 0 1 2 6 8 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 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 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 154.71 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.079 Region 9 Sum = 117272; Maximum = 8725.93; FM = 0.844 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 2 0 0 0 0 0 0 1 7 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 2 11 20 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 10 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 3 5 2 0 0 0 0 0 1 6 14 4 1 0 0 0 0 1 6 14 5 1 0 0 0 0 1 17 32 7 1 0 0 0 0 2 31 66 20 1 0 0 0 0 2 27 57 20 2 0 0 0 0 2 25 59 20 1 0 0 0 0 2 39100 41 3 0 0 0 0 2 30 78 37 4 0 0 0 0 1 10 27 15 2 0 0 0 0 1 11 41 28 4 0 0 0 0 1 7 30 24 4 0 0 0 0 0 1 4 3 1 0 0 0 0 0 1 5 6 1 0 0 0 0 0 1 4 5 1 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 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 2 5 3 1 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 8 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 22 14 3 0 0 0 0 0 0 2 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 8 9 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (200 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 200 0 200 5.6631 0.8759 15.648 123.320 Orientation ('UB') matrix: 0.1439768 0.0358271 -0.0039442 0.0300404 -0.0024540 0.0771488 0.0659294 -0.0771211 -0.0042872 A B C Alpha Beta Gamma Vol 6.2477 11.7547 13.0156 90.000 96.756 90.000 949.22 0.0005 0.0006 0.0017 0.000 0.007 0.000 0.22 Corrected for goodness of fit: 0.0011 0.0013 0.0037 0.000 0.016 0.000 0.49 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.092 95.985 24.286 Goniometer zeros (deg): 0.0000* -0.0171 0.0000* 0.0191 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0886 -0.5626 0.0702 -0.2120 -0.1978 0.8424 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.33740e+03 2.97586e+03 2.26 25 3 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 200 200 198 Average input ESD (pix, pix, deg): 0.23160 0.17181 0.14315 Goodness of fit: 2.63799 2.23390 1.72035 Old XYZ spot size: 2.001 2.409 2.168 New XYZ spot size: 1.990 2.374 2.145 Average missing volume: 0.044 % with too much missing I: 4.428 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:24:36 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 1.990 2.374 2.145 Spot size used (deg): 1.990 2.374 2.145 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): 0.278 0.274 0.317 Profile convolver halfwidth: 1.00 1.00 1.85 Background pixels updated = 92.38% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 0.00 1.000 2_0003 9 0.18 -0.13 0.05 0.85 0.38 0.12 41581 57 0 0.85 24 2.33 2.73 3.44 1.000 3_0004 6 0.02 -0.01 0.04 0.12 0.03 0.05 22359 39 0 0.64 26 1.96 2.29 3.20 1.000 4_0005 6 0.43 0.08 0.03 1.17 0.24 0.10 62442 73 0 0.76 27 2.05 2.33 3.19 1.000 5_0006 15 -0.05 0.33 0.02 1.17 0.81 0.19 35909 52 0 0.70 27 1.90 2.17 3.26 1.000 6_0007 12 0.69 -0.26 -0.02 1.74 0.79 0.10 26952 45 0 0.72 27 1.98 2.21 3.20 1.000 7_0008 7 -0.05 -0.02 0.03 0.22 0.18 0.07 49951 74 0 0.83 28 1.94 2.21 3.19 1.000 8_0009 11 0.47 0.09 -0.05 1.55 0.24 0.12 44279 69 0 0.78 32 1.97 2.28 3.16 1.000 9_0010 10 0.41 -0.07 -0.04 1.22 0.26 0.13 64575 91 0 0.78 23 2.02 2.32 3.24 1.000 10_0011 8 -0.00 -0.01 0.03 0.07 0.05 0.06 65048 88 0 0.78 27 2.00 2.35 3.33 1.000 11_0012 7 0.05 0.03 0.01 0.16 0.17 0.06 39968 60 0 0.85 28 1.96 2.33 3.31 1.000 12_0013 17 0.04 -0.06 0.03 0.22 0.13 0.07 28436 45 0 0.75 27 1.94 2.33 3.27 1.000 13_0014 8 0.12 0.01 -0.02 0.41 0.14 0.06 45972 59 0 0.62 27 1.97 2.34 3.25 1.000 14_0015 7 0.33 0.14 0.02 0.96 0.35 0.05 21068 41 0 0.79 28 1.94 2.34 3.26 1.000 15_0016 9 0.68 -0.14 0.03 1.83 0.37 0.16 30139 46 11 0.66 28 1.95 2.35 3.22 1.000 16_0017 5 0.03 0.02 -0.09 0.06 0.04 0.13 34602 52 0 0.85 27 1.94 2.36 3.23 1.000 17_0018 10 0.25 0.20 -0.01 0.53 0.62 0.13 25226 53 0 0.78 28 1.91 2.33 3.18 1.000 18_0019 18 0.07 -0.06 -0.13 0.36 0.32 0.52 55809 71 0 0.76 26 1.90 2.37 3.22 1.000 19_0020 13 0.01 -0.01 -0.03 0.10 0.09 0.05 60936 89 0 0.77 30 1.91 2.40 3.24 1.000 Background pixels updated = 92.66% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 -0.04 -0.00 0.00 0.13 0.05 0.03 87435 108 0 0.85 24 1.91 2.40 3.26 1.000 21_0022 12 -0.15 0.06 0.03 0.56 0.40 0.22 37313 58 0 0.78 27 1.90 2.40 3.26 1.000 22_0023 4 -0.06 0.02 -0.07 0.13 0.12 0.11 20090 44 0 0.74 28 1.90 2.40 3.27 1.000 23_0024 7 0.48 -0.02 -0.06 1.25 0.06 0.06 31287 48 0 0.77 27 1.92 2.41 3.27 1.000 24_0025 7 0.06 0.02 -0.04 0.09 0.08 0.07 17982 37 0 0.79 26 1.93 2.41 3.26 1.000 25_0026 12 -0.08 0.03 -0.03 0.67 0.07 0.09 34365 54 0 0.73 27 1.95 2.43 3.27 1.000 26_0027 18 0.10 -0.09 -0.07 0.22 0.29 0.09 37943 61 6 0.77 28 1.94 2.46 3.28 1.000 27_0028 6 -0.05 -0.04 -0.02 0.17 0.20 0.10 85678 87 0 0.72 26 1.94 2.47 3.30 1.000 28_0029 10 0.55 -0.41 -0.11 1.49 1.39 0.14 34972 59 0 0.74 27 1.93 2.47 3.30 1.000 29_0030 8 0.01 0.17 -0.06 0.15 0.23 0.13 19100 43 0 0.83 30 1.93 2.47 3.31 1.000 30_0031 8 0.42 0.19 -0.08 0.96 0.60 0.11 15687 32 0 0.73 26 1.94 2.48 3.30 1.000 31_0032 7 0.18 0.02 -0.08 0.65 0.18 0.09 19716 35 0 0.72 34 1.97 2.49 3.29 1.000 32_0033 15 0.00 -0.02 -0.02 0.07 0.07 0.12 44797 75 0 0.78 30 1.95 2.49 3.32 1.000 33_0034 14 0.13 -0.30 -0.03 0.79 0.88 0.16 25581 51 0 0.73 28 1.94 2.49 3.32 1.000 34_0035 8 0.11 -0.13 -0.07 0.26 0.42 0.09 72288 96 0 0.85 30 1.94 2.51 3.33 1.000 35_0036 11 -0.06 -0.01 -0.10 0.31 0.16 0.16 38287 49 0 0.74 27 1.94 2.52 3.34 1.000 36_0037 6 -0.03 -0.11 -0.06 0.10 0.13 0.08 37300 64 0 0.79 28 1.94 2.52 3.33 1.000 37_0038 8 0.09 -0.03 -0.05 0.13 0.07 0.08 29714 46 0 0.77 30 1.93 2.53 3.33 1.000 38_0039 12 0.06 -0.07 -0.07 0.24 0.14 0.09 49191 64 0 0.74 27 1.94 2.54 3.34 1.000 39_0040 11 0.04 -0.10 -0.03 0.21 0.13 0.07 40650 62 0 0.80 25 1.93 2.54 3.34 1.000 Background pixels updated = 92.47% 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 12 0.11 -0.05 -0.08 0.19 0.16 0.10 40500 64 0 0.79 27 1.92 2.53 3.35 1.000 41_0042 8 0.13 -0.16 -0.01 0.16 0.20 0.10 26011 41 0 0.68 27 1.93 2.55 3.35 1.000 42_0043 4 0.01 -0.10 -0.08 0.05 0.12 0.09 52868 68 0 0.84 28 1.93 2.55 3.36 1.000 43_0044 9 0.27 -0.11 -0.05 0.65 0.15 0.08 47209 61 0 0.82 25 1.93 2.55 3.35 1.000 44_0045 5 0.03 -0.07 -0.03 0.13 0.08 0.04 9088.6 22 0 0.68 27 1.93 2.55 3.36 1.000 45_0046 16 0.07 -0.15 -0.06 0.15 0.17 0.09 51002 59 6 0.75 26 1.93 2.56 3.36 1.000 46_0047 8 0.05 -0.13 -0.04 0.14 0.14 0.09 44307 61 0 0.81 26 1.93 2.57 3.37 1.000 47_0048 8 0.12 -0.19 -0.02 0.14 0.21 0.05 76501 84 0 0.73 28 1.93 2.58 3.39 1.000 48_0049 6 0.09 -0.22 0.07 0.53 0.32 0.20 20300 38 0 0.77 27 1.95 2.59 3.39 1.000 49_0050 7 0.06 -0.12 -0.03 0.10 0.13 0.06 26407 42 0 0.71 28 1.94 2.59 3.38 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 (414 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) 414 0 414 12.9298 0.8679 6.836 125.309 Orientation ('UB') matrix: 0.1439957 0.0358415 -0.0039359 0.0300064 -0.0024073 0.0771244 0.0659756 -0.0771314 -0.0042360 A B C Alpha Beta Gamma Vol 6.2466 11.7528 13.0203 90.000 96.762 90.000 949.24 0.0003 0.0004 0.0006 0.000 0.003 0.000 0.10 Corrected for goodness of fit: 0.0008 0.0010 0.0014 0.000 0.008 0.000 0.27 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.091 95.951 24.298 Goniometer zeros (deg): 0.0000* -0.0156 0.0000* 0.0341 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0746 -0.5830 0.0676 -0.2144 -0.2217 0.8632 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 9.54790e+03 8.27016e+03 2.60 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 414 414 408 Average input ESD (pix, pix, deg): 0.23915 0.18473 0.05502 Goodness of fit: 2.95593 2.82253 1.82212 Background pixels updated = 92.43% 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 9 -0.00 -0.13 -0.07 0.16 0.23 0.14 40879 58 0 0.79 27 1.94 2.59 3.38 1.000 51_0052 10 0.17 -0.08 -0.05 0.37 0.18 0.08 54715 70 0 0.78 27 1.94 2.60 3.38 1.000 52_0053 12 0.06 -0.19 -0.01 0.29 0.28 0.12 20532 43 0 0.77 28 1.93 2.60 3.37 1.000 53_0054 12 0.16 -0.07 -0.02 0.74 0.25 0.09 83581 97 0 0.73 27 1.94 2.61 3.37 1.000 54_0055 8 -0.16 -0.11 -0.00 0.38 0.15 0.09 103199 105 0 0.78 26 1.94 2.62 3.38 1.000 55_0056 5 0.18 -0.19 -0.05 0.20 0.21 0.09 41793 58 20 0.78 27 1.94 2.62 3.38 1.000 56_0057 14 0.19 -0.28 -0.05 0.68 0.59 0.14 85827 97 7 0.75 28 1.93 2.63 3.39 1.000 57_0058 11 0.00 -0.13 0.00 0.21 0.28 0.11 34013 47 9 0.77 25 1.93 2.63 3.38 1.000 58_0059 13 0.71 0.15 -0.02 1.80 0.74 0.17 53544 84 0 0.86 27 1.94 2.64 3.39 1.000 59_0060 9 0.15 -0.16 -0.04 0.25 0.23 0.09 87175 110 0 0.83 27 1.95 2.65 3.40 1.000 Background pixels updated = 92.67% 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 10 0.55 -0.18 -0.09 0.91 0.68 0.16 46320 74 0 0.76 27 1.96 2.67 3.40 1.000 61_0062 9 0.02 -0.18 -0.02 0.23 0.30 0.09 34837 51 0 0.79 28 1.96 2.67 3.39 1.000 62_0063 10 -0.03 0.05 0.03 0.27 0.33 0.14 51512 54 10 0.67 27 1.96 2.67 3.40 1.000 63_0064 10 0.12 -0.22 -0.00 0.20 0.32 0.06 35572 51 0 0.73 26 1.96 2.68 3.39 1.000 64_0065 7 0.31 -0.13 0.00 0.59 0.18 0.05 45000 72 0 0.81 28 1.97 2.68 3.40 1.000 65_0066 10 -0.16 -0.18 0.06 0.45 0.28 0.14 41774 53 0 0.68 25 1.97 2.70 3.40 1.000 66_0067 8 0.47 -0.14 -0.03 0.87 0.39 0.12 31087 42 0 0.66 26 1.98 2.71 3.40 1.000 67_0068 6 0.31 0.04 -0.12 0.45 0.17 0.18 32104 44 0 0.69 26 1.97 2.70 3.40 1.000 68_0069 9 0.09 -0.09 0.02 0.22 0.22 0.13 37412 67 0 0.82 27 1.97 2.70 3.40 1.000 69_0070 11 0.66 -0.25 -0.00 1.97 0.39 0.09 75471 95 0 0.74 26 1.97 2.70 3.40 1.000 70_0071 6 0.24 -0.30 -0.07 0.37 0.39 0.15 26155 39 0 0.76 26 1.97 2.71 3.39 1.000 71_0072 10 0.09 -0.14 0.02 0.13 0.19 0.08 55285 86 0 0.85 26 1.97 2.71 3.41 1.000 72_0073 15 0.19 -0.02 -0.05 0.30 0.22 0.10 28609 44 0 0.71 27 1.96 2.71 3.42 1.000 73_0074 8 0.39 -0.20 -0.05 0.73 0.41 0.11 55347 69 0 0.82 28 1.97 2.72 3.42 1.000 74_0075 10 -0.03 0.01 -0.00 0.55 0.47 0.13 41463 54 10 0.74 27 1.98 2.72 3.42 1.000 75_0076 7 0.38 -0.14 -0.03 0.71 0.17 0.09 41694 62 0 0.73 26 1.98 2.72 3.42 1.000 76_0077 6 0.11 -0.08 0.00 0.17 0.10 0.03 17409 28 0 0.70 27 1.98 2.72 3.41 1.000 77_0078 4 -0.07 -0.08 0.07 0.21 0.11 0.08 95153 113 0 0.81 24 1.98 2.73 3.41 1.000 78_0079 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 1.98 2.73 3.41 1.000 79_0080 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.98 2.73 3.41 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_11_0080.sfrm I/Sigma = 76.89 Thresh = 0.020 Blend = F #Contributing = 220 InitialProfileWt = 0.000 Region 1 Sum = 36706.8; Maximum = 1265.46; FM = 0.834 !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 2 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 3 2 1 0 0 0 0 0 3 8 10 5 1 0 0 0 0 1 2 1 0 0 0 0 0 1 4 7 4 1 1 0 0 0 1 5 14 20 9 2 1 0 0 0 1 2 1 0 0 0 0 0 1 4 7 5 1 1 0 0 0 1 6 23 36 17 3 1 0 0 0 1 1 0 0 0 0 0 0 1 2 5 4 2 1 0 1 0 1 4 23 41 22 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 8 18 12 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 5 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 !Region 1: Section 4->6 0 1 2 3 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 10 21 14 4 1 0 0 0 1 5 15 14 5 1 0 0 0 0 1 4 7 5 2 1 0 1 3 17 40 26 6 1 0 0 0 1 10 29 27 10 2 1 0 0 0 2 8 13 11 4 1 0 1 5 36 81 50 11 2 1 0 0 3 23 64 56 21 4 1 0 0 1 5 18 32 25 8 2 0 0 6 46100 64 15 2 1 0 0 4 33 83 74 30 6 1 0 0 1 8 27 49 41 13 2 0 0 3 18 47 36 10 2 1 0 0 2 14 41 44 22 5 1 0 0 1 4 14 31 33 13 3 0 0 1 3 12 14 5 1 1 0 0 1 3 11 16 10 3 1 0 0 0 1 4 11 17 10 3 0 0 1 1 3 5 3 1 0 0 0 0 1 3 6 5 2 1 0 0 0 0 1 5 9 7 3 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 3 2 1 0 !Region 1: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 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 5 8 4 2 1 0 0 0 1 1 3 2 1 1 0 0 0 0 0 0 0 1 0 0 1 1 3 12 18 9 3 1 0 0 0 1 2 6 5 2 1 0 0 0 0 0 0 1 1 0 0 0 1 6 22 31 15 4 1 0 0 1 1 5 10 8 4 1 0 0 0 0 0 1 1 1 1 0 0 1 4 16 27 17 5 1 0 0 1 1 4 9 9 5 1 0 0 0 0 0 1 1 1 1 0 0 1 1 6 16 15 6 1 0 0 0 1 2 7 9 5 1 0 0 0 0 0 1 2 2 1 0 0 0 1 3 10 11 6 1 0 0 0 0 1 4 7 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 4 2 0 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 1 1 0 I/Sigma = 264.50 Thresh = 0.020 Blend = F #Contributing = 184 InitialProfileWt = 0.000 Region 2 Sum = 313091; Maximum = 23294.1; 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 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 3 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 14 4 0 0 0 0 0 1 13 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 16 6 0 0 0 0 0 1 15 47 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 4 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 1 3 7 2 0 0 0 0 0 0 2 7 3 0 0 0 0 0 0 1 5 2 0 0 0 0 0 1 16 45 12 0 0 0 0 0 1 16 47 15 1 0 0 0 0 0 10 35 13 1 0 0 0 0 2 29 74 27 1 0 0 0 0 2 42100 39 1 0 0 0 0 1 31 75 31 1 0 0 0 0 1 9 28 9 0 0 0 0 0 1 14 49 18 1 0 0 0 0 0 12 39 17 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 5 2 0 0 0 0 0 0 1 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 3 12 5 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 28 12 1 0 0 0 0 0 2 8 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 6 18 9 1 0 0 0 0 0 2 6 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 136.79 Thresh = 0.020 Blend = F #Contributing = 123 InitialProfileWt = 0.000 Region 3 Sum = 106937; Maximum = 7333.38; FM = 0.863 !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 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 1 4 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 7 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 9 17 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 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 1 3 3 2 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 6 10 6 1 0 0 0 0 1 4 10 9 2 0 0 0 0 0 1 6 7 1 0 0 0 0 2 15 29 18 2 0 0 0 0 2 14 44 30 4 0 0 0 0 1 7 36 27 4 0 0 0 0 3 25 61 29 2 0 0 0 0 4 38100 48 3 0 0 0 0 3 30 80 38 3 0 0 0 0 2 15 31 8 1 0 0 0 1 4 24 51 17 1 0 0 0 1 5 20 41 18 2 0 0 0 0 1 4 4 1 0 0 0 0 0 1 6 10 4 1 0 0 0 0 2 6 11 7 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 3 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 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 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 13 11 2 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 27 14 2 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 16 9 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 5 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 84.27 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.012 Region 4 Sum = 37882.4; Maximum = 1378.15; FM = 0.857 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 2 7 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 0 0 0 0 2 10 18 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 11 31 17 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 6 24 19 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 8 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 !Region 4: Section 4->6 0 1 4 5 3 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 0 1 2 1 0 0 0 1 2 12 21 13 3 1 0 0 0 1 7 18 16 5 1 0 0 0 1 2 6 9 5 1 0 0 0 2 17 41 26 6 1 1 0 0 1 11 35 33 10 2 1 0 0 1 2 11 18 13 3 1 0 0 2 23 80 60 12 1 0 0 0 1 16 71 74 21 3 1 0 0 1 4 20 37 23 5 1 0 0 1 13 71 74 21 3 1 0 0 1 10 67100 42 6 1 0 0 1 3 21 59 48 10 1 0 0 1 3 25 39 17 3 1 0 0 1 3 25 58 40 7 1 0 0 0 1 9 42 55 15 2 0 0 1 1 8 13 7 2 1 0 0 0 1 9 20 18 6 1 0 0 0 1 3 15 28 14 3 0 0 1 1 4 6 3 1 1 0 0 0 1 4 9 8 4 1 0 0 0 0 2 6 13 10 3 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 4 1 0 !Region 4: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 3 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 7 10 4 1 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 2 10 15 5 2 1 0 0 0 1 2 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 19 30 9 2 0 0 0 1 1 3 8 3 1 1 0 0 0 0 0 1 1 1 0 0 0 1 3 19 37 13 3 1 0 0 1 1 4 9 4 2 1 0 0 0 0 0 0 0 1 1 0 0 0 1 7 21 13 4 1 0 0 0 1 2 6 5 3 1 0 0 0 0 0 0 1 1 1 0 0 0 1 3 11 11 4 1 0 0 0 1 1 4 5 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 54.68 Thresh = 0.020 Blend = F #Contributing = 40 InitialProfileWt = 0.009 Region 5 Sum = 20471.2; Maximum = 568.748; FM = 0.853 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 1 4 4 2 1 1 1 0 0 2 9 11 7 2 1 1 1 0 1 1 1 1 0 0 0 0 0 1 5 6 4 2 1 1 1 0 2 12 18 14 5 1 1 1 0 1 1 1 0 1 0 0 0 0 1 5 8 7 3 1 1 1 0 2 11 27 29 12 3 1 1 0 0 0 1 1 1 0 0 0 0 0 2 5 7 4 1 1 1 0 1 5 19 29 17 5 2 1 0 0 0 1 1 1 0 0 1 0 0 1 2 3 3 1 1 1 0 1 2 4 10 9 4 2 1 0 0 0 0 1 1 0 0 1 0 0 0 0 1 2 1 1 1 0 0 0 1 3 5 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 1 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 0 0 0 !Region 5: Section 4->6 0 2 5 4 2 1 0 0 0 0 1 3 4 3 2 1 0 0 0 0 2 3 3 3 1 1 0 1 9 17 14 6 3 1 1 0 0 4 12 16 13 8 3 1 0 0 2 5 10 14 13 6 2 1 2 12 27 28 13 5 2 1 0 1 6 20 30 24 14 5 2 0 1 2 7 16 22 21 9 3 1 1 11 41 61 36 13 3 1 0 1 6 29 64 61 39 12 3 0 1 3 10 31 53 53 21 5 1 1 6 28 60 51 24 7 2 0 1 3 20 64 90 72 28 5 0 1 2 8 32 81100 48 9 1 1 2 6 20 27 17 6 1 0 0 1 5 22 46 50 28 6 1 1 1 3 11 40 70 49 13 2 0 1 1 5 11 8 4 1 0 0 1 1 5 15 19 15 5 1 0 1 1 3 11 25 27 11 2 0 0 1 2 4 4 2 1 0 0 0 1 2 6 9 9 4 0 0 0 1 1 5 11 16 7 1 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 3 1 0 0 0 0 1 1 3 5 2 0 !Region 5: Section 7->9 0 0 1 1 2 2 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 8 9 4 1 1 0 1 1 1 2 3 1 1 0 0 0 1 0 1 1 0 0 0 1 1 2 4 10 13 7 2 1 0 0 1 2 2 3 2 1 1 0 0 1 1 1 1 0 1 0 0 2 2 6 20 29 14 4 1 0 1 2 2 3 5 3 2 1 0 1 1 1 1 1 1 0 0 1 2 2 6 32 55 31 7 1 0 1 2 1 4 7 6 2 1 0 1 1 1 1 1 1 0 0 1 1 2 3 16 38 32 10 2 1 1 1 1 3 5 6 4 2 0 1 1 1 1 1 1 1 1 0 1 1 1 4 13 18 10 3 0 1 1 0 1 2 3 4 2 0 1 1 0 0 0 0 1 1 0 0 1 1 2 6 11 6 1 0 1 1 0 1 1 2 3 1 0 1 1 0 1 0 0 1 1 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 46.97 Thresh = 0.020 Blend = F #Contributing = 24 InitialProfileWt = 0.041 Region 6 Sum = 14254.8; Maximum = 348.981; FM = 0.844 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 1 3 3 3 2 1 1 1 0 0 1 0 0 0 0 0 0 0 2 5 5 3 2 1 1 0 0 3 12 15 11 6 3 2 1 1 1 1 0 0 1 1 0 0 0 3 7 6 4 2 1 1 1 0 5 16 20 16 7 4 2 1 1 1 1 1 0 1 0 0 0 0 3 7 9 7 3 1 1 0 0 5 18 32 32 15 5 2 1 0 0 0 0 1 0 1 1 0 0 1 4 8 8 4 2 1 1 0 3 13 33 38 20 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 1 1 4 11 16 11 4 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 3 5 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 !Region 6: Section 4->6 1 2 3 4 3 2 1 0 0 0 1 2 4 5 4 2 1 0 0 1 1 3 4 5 3 1 0 2 9 16 17 11 6 2 1 1 1 4 8 14 16 12 5 2 1 1 2 3 8 15 16 9 3 1 3 13 24 27 16 8 3 2 1 1 5 13 22 25 18 9 3 1 1 2 4 11 23 24 14 4 1 3 16 44 55 36 15 5 2 0 1 7 26 47 64 47 22 6 1 0 3 8 25 65 68 39 10 1 2 16 49 66 46 21 7 3 1 1 9 31 61 81 69 33 9 1 1 3 9 36 87100 58 16 2 1 6 18 29 23 13 5 3 1 1 4 13 26 39 41 22 9 1 1 2 5 15 40 58 41 16 3 1 2 4 8 9 6 3 2 1 1 1 3 7 13 17 11 6 2 0 1 2 4 12 24 23 13 3 1 2 2 3 4 4 1 1 0 1 1 2 3 6 9 6 4 1 1 1 2 2 5 11 12 9 3 0 1 1 1 1 1 1 0 0 0 1 1 1 2 3 3 2 1 0 1 1 1 2 4 5 3 1 !Region 6: Section 7->9 0 0 1 1 2 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 1 0 1 0 0 0 0 1 1 1 3 6 8 6 2 1 0 1 1 2 2 2 2 1 0 0 1 1 1 1 1 1 0 0 1 1 2 4 8 12 10 4 1 0 1 1 2 1 2 3 2 1 0 0 0 1 1 1 1 1 1 1 2 3 8 27 38 28 8 2 1 1 2 1 3 7 8 4 2 0 1 1 1 1 1 1 2 1 1 2 3 12 38 55 39 12 3 1 1 1 2 5 9 10 5 2 1 1 1 1 1 1 1 1 1 0 1 2 5 17 31 31 13 3 0 1 1 1 2 5 9 5 2 0 0 1 0 1 1 1 2 1 0 1 2 2 5 13 19 12 3 0 1 1 1 1 3 6 6 2 0 0 1 1 1 1 1 2 1 0 1 1 1 2 6 10 8 3 0 1 1 0 1 2 4 4 2 0 0 1 0 1 1 1 2 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 I/Sigma = 58.69 Thresh = 0.020 Blend = F #Contributing = 36 InitialProfileWt = 0.014 Region 7 Sum = 18831.7; Maximum = 511.707; FM = 0.887 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 1 1 1 0 0 0 0 0 1 4 4 4 2 1 1 1 0 1 6 8 8 6 3 2 1 0 1 2 1 1 0 0 0 0 0 3 9 8 5 2 2 1 1 0 3 14 17 13 7 4 2 1 1 1 2 1 0 0 0 0 0 0 3 10 9 6 3 2 1 1 0 5 17 22 21 11 5 2 1 1 0 1 1 0 0 0 0 0 0 2 7 8 6 3 1 1 1 0 3 13 22 22 12 4 2 1 1 0 0 0 0 0 0 0 0 0 0 3 3 3 2 1 1 0 0 1 6 9 10 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 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 0 !Region 7: Section 4->6 0 1 1 2 2 2 2 0 0 0 1 1 2 3 4 3 1 0 0 1 1 1 2 4 3 1 0 1 3 6 10 11 8 4 1 0 0 1 2 7 15 16 9 3 0 0 1 1 4 10 15 10 4 0 1 7 13 18 18 12 6 2 1 0 2 5 15 32 32 17 5 1 0 1 2 8 26 35 21 6 1 2 11 24 38 37 23 9 2 1 1 4 15 49 85 73 33 7 1 1 2 7 33 78 82 42 9 1 2 12 30 48 43 24 8 2 1 1 6 25 70100 76 32 7 1 1 3 13 49 92 86 43 10 1 1 6 14 24 23 12 5 2 1 0 4 13 35 51 37 17 5 1 0 2 7 24 46 43 23 7 1 0 1 3 6 9 5 3 1 0 1 1 4 10 19 16 9 3 1 1 1 3 8 18 19 12 5 1 0 1 1 3 4 2 2 0 0 0 1 2 4 9 8 5 2 0 0 1 2 4 9 9 6 3 1 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 1 1 0 0 0 1 1 2 3 2 1 0 !Region 7: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 5 4 2 1 0 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 1 1 2 7 13 10 4 1 0 1 1 1 1 2 2 2 1 0 1 1 0 1 1 1 0 1 0 2 2 8 24 32 20 7 1 0 1 1 2 3 4 5 4 2 0 1 1 1 1 1 1 2 1 0 1 3 12 28 34 22 8 2 0 1 1 1 3 5 6 7 3 0 0 0 1 1 1 2 3 2 0 1 2 6 14 18 13 8 2 0 1 1 2 3 4 5 8 4 0 1 1 1 1 1 2 4 2 0 1 1 3 6 8 8 6 2 0 1 1 1 1 2 4 7 4 0 1 1 1 0 1 1 3 3 0 1 1 2 3 4 4 4 2 0 1 1 1 1 1 3 5 3 0 1 0 0 1 1 1 2 2 0 0 0 1 1 1 1 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 I/Sigma = 76.62 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.003 Region 8 Sum = 36085.7; Maximum = 1191.24; FM = 0.821 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 2 2 1 2 1 1 0 0 0 1 3 7 7 3 1 1 0 0 1 2 1 1 0 0 0 0 1 3 4 3 2 1 1 1 0 0 3 7 15 10 3 1 1 0 1 3 2 1 1 1 0 0 0 1 6 7 3 2 1 1 0 0 1 6 16 28 17 5 2 1 0 1 3 2 1 1 1 0 0 0 2 7 6 3 2 1 1 0 0 1 8 25 37 19 4 1 1 0 1 1 1 1 0 0 0 0 0 1 4 3 2 1 1 1 1 0 1 6 16 21 11 3 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 2 3 5 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 2 4 2 1 0 0 0 0 0 2 4 2 1 0 0 0 0 0 1 1 1 1 0 0 0 1 3 17 18 7 2 1 0 0 1 2 13 17 8 2 1 0 0 0 1 3 7 6 4 1 0 0 2 11 35 29 11 3 1 1 0 1 7 28 34 18 5 1 0 0 1 2 8 19 20 9 2 0 1 4 29 74 54 16 3 1 1 1 3 21 65 66 30 7 2 1 0 1 5 21 42 38 15 3 1 1 9 57100 58 15 3 1 1 0 6 43 88 67 25 6 1 1 0 2 9 26 37 34 17 4 1 1 8 35 56 32 8 2 1 1 1 6 27 48 34 13 4 1 1 0 1 6 13 17 18 14 5 1 0 2 6 13 11 4 1 1 0 0 2 5 12 12 6 2 1 0 0 1 1 4 7 9 8 4 1 0 1 1 2 3 2 1 0 0 0 1 1 2 3 2 1 0 0 0 0 1 1 2 4 3 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 8: Section 7->9 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 8 15 10 4 1 0 1 1 1 2 5 4 3 1 0 0 0 0 0 0 0 1 1 0 1 2 5 20 31 18 5 1 0 0 1 2 5 10 8 4 1 0 0 0 0 0 1 1 2 1 0 1 2 5 15 31 22 7 1 0 1 1 2 4 11 10 5 2 0 0 0 1 0 1 1 2 1 0 1 1 2 7 18 21 8 2 0 0 1 1 2 7 10 7 2 0 0 0 1 0 1 1 4 2 0 0 1 1 3 9 13 7 1 0 0 0 1 1 4 7 5 1 0 0 0 0 0 1 1 2 1 0 0 1 1 2 5 5 3 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 190.18 Thresh = 0.020 Blend = F #Contributing = 132 InitialProfileWt = 0.000 Region 9 Sum = 174997; Maximum = 12143.9; FM = 0.82 !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 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 1 4 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 7 6 1 0 0 0 0 1 4 21 24 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 8 11 2 0 0 0 0 1 4 29 48 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 2 8 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 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 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 6 7 1 0 0 0 0 0 1 6 9 2 0 0 0 0 0 0 3 6 2 0 0 0 0 0 4 32 44 7 1 0 0 0 0 3 30 47 10 1 0 0 0 0 1 16 29 9 1 0 0 0 0 6 54 91 22 1 0 0 0 0 6 57100 31 2 0 0 0 0 3 32 62 26 3 0 0 0 0 2 17 32 10 1 0 0 0 0 2 19 43 16 2 0 0 0 0 1 10 29 16 3 0 0 0 0 0 2 3 2 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 9 6 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 7 19 14 3 1 0 0 0 0 1 4 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 2 9 10 4 1 0 0 0 0 0 2 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 113 Minimum pixel ceiling(frame): 163809(neal054_11_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_11_0001.sfrm) Total spots predicted: 842 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 84* Outside frame limits: 44* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 4* 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: 710 Total spot components written: 710 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 710 Twin overlaps written: 0 Average Intensity: 44089.26 Average I/sigma: 80.451 % over "strong" threshold: 92.11 % less than 2 sigma: 1.13 % which spanned more than 1 frame: 90.28 Average X,Y,Z positional errors: 0.15 -0.07 -0.03 RMS X,Y,Z positional errors: 0.72 0.39 0.14 % X,Y,Z more than 0.5 pixel: 10.14 6.20 0.28 % X,Y,Z more than 1.0 pixel: 5.77 2.96 0.14 Avg % profile volume populated: 97.67 Avg % profile volume integrated: 18.45 Avg % profile missing I: 2.24 Avg % profile missing volume: 2.33 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: 4.82 4.85 4.56 Average spot-shape correlation: 0.745 RMS spot-shape correlation: 0.763 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.130 0.113 4 1.0 2.0 0.448 0.125 4 2.0 4.0 0.413 0.153 7 4.0 8.0 0.641 0.122 31 8.0 16.0 0.718 0.143 51 16.0 32.0 0.756 0.139 148 32.0 64.0 0.754 0.135 227 64.0 128.0 0.788 0.141 161 128.0 256.0 0.870 0.101 77 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): 167.387 Elapsed since INTEGRATE command (sec): 165.911 Integration time, this run (sec): 4.177 Time in unit-cell LS (sec): 0.040 Per-frame integration time (sec): 0.052 Integration completed normally ======================== 10/26/2021 10:24:40 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1858592 will be applied to LS-fit intensities Number of spots read: 710 Number of LS-fit intensities scaled: 49 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 710 Sorting Reflection File ============================== 10/26/2021 10:24:40 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_11.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... 710 spot components in 710 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 710 spot components in 710 spots written to file /smb/isengard/data/neal054/work/neal054_11.raw Computing Reflection File Statistics ========== 10/26/2021 10:24:40 Integration of neal054 ................................................................................... Statistics for reflections in neal054_11.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 710 Number of reflection records read = 710 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 710 Number of spot components used = 710 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_11.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 6.247 11.753 13.020 90.000 96.762 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 17 0 17 0 0.0 9306.559 25.71 10.74 0.000 0.000 0.0 0.000 0.000 0.00 3.1-.14-.12 3.7 1.2 .22 32.000 21 0 21 0 0.0 9390.090 27.68 10.85 0.000 0.000 0.0 0.000 0.000 0.00 .75-.27-.07 1.8 1.1 .21 64.000 29 0 29 0 0.0 10273.954 29.77 11.00 0.000 0.000 0.0 0.000 0.000 0.00-.04-.04 .01 .80 .34 .13 96.000 45 0 45 0 0.0 14146.343 33.54 11.18 0.000 0.000 0.0 0.000 0.000 0.00 .25-.24-.08 .63 .59 .35 128.000 58 0 58 0 1.7 15068.896 33.32 11.53 0.000 0.000 0.0 0.000 0.000 0.00 .09-.04-.02 .48 .50 .14 160.000 82 0 82 0 0.0 22233.960 41.71 11.98 0.000 0.000 0.0 0.000 0.000 0.00 .08-.04-.03 .28 .38 .12 192.000 104 3 101 6 1.0 29740.353 49.96 12.60 0.103 0.000 4.4 0.000 0.229 0.00 .08-.06-.02 .16 .19 .09 224.000 112 9 103 18 1.8 41989.528 66.30 13.26 0.083 0.000 6.0 0.000 0.173 0.00 .13-.06-.03 .15 .13 .08 256.000 95 15 84 26 2.1 61858.613 95.95 13.80 0.075 -0.003 8.0 0.000 0.183 0.00-.06-.04-.02 .09 .14 .09 288.000 68 15 59 24 2.9 70553.434 119.50 14.77 0.117 0.004 13.0 0.000 0.258 0.00-.04-.07-.02 .12 .19 .09 320.000 43 12 36 19 0.0 113681.57 178.89 14.89 0.117 0.010 18.0 0.000 0.249 0.00 .02-.05-.02 .08 .12 .09 352.000 21 7 18 10 0.0 111551.20 212.61 14.48 0.094 -0.011 23.4 0.000 0.219 0.00 .05-.05 .01 .09 .10 .09 384.000 9 2 8 3 0.0 90350.222 227.84 13.88 0.122 -0.027 27.7 0.000 0.226 0.00 .01-.03-.05 .09 .10 .11 416.000 5 0 5 0 0.0 161149.70 380.68 13.66 0.000 0.000 0.0 0.000 0.000 0.00 .07-.11 .08 .25 .19 .18 448.000 1 0 1 0 0.0 3959.400 82.83 12.23 0.000 0.000 0.0 0.000 0.000 0.00-.06 .00 .22 .06 .00 .22 480.000 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_11.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 0 22 0 0.0 18897.914 48.26 11.16 0.000 0.000 0.0 0.000 0.000 0.00 .53 .53-.15 .95 1.0 .21 32.000 41 0 41 0 0.0 39703.938 82.00 11.48 0.000 0.000 0.0 0.000 0.000 0.00 .15-.11-.08 .44 .28 .35 64.000 58 0 58 0 0.0 36373.346 71.64 12.02 0.000 0.000 0.0 0.000 0.000 0.00 .30-.07-.02 .99 .34 .10 96.000 91 0 91 0 0.0 47416.185 86.16 12.95 0.000 0.000 0.0 0.000 0.000 0.00 .11-.07-.02 .33 .16 .08 128.000 109 9 101 17 0.0 51613.317 83.83 13.69 0.134 0.002 14.6 0.000 0.275 0.00 .20-.06-.02 .73 .14 .11 160.000 118 17 102 33 2.5 57518.380 92.06 14.10 0.082 -0.002 12.2 0.000 0.165 0.00 .01-.05 .01 .35 .09 .10 192.000 102 15 90 27 2.0 43468.968 77.24 13.39 0.117 0.004 12.6 0.000 0.234 0.00 .14-.06-.02 1.0 .24 .12 224.000 67 16 67 16 0.0 40380.635 74.08 12.63 0.085 0.017 10.6 0.000 0.171 0.00 .07-.04-.02 .28 .18 .11 256.000 53 12 53 12 1.9 32464.938 68.44 11.92 0.081 -0.025 9.6 0.000 0.161 0.00 .03-.07-.04 .33 .27 .10 288.000 37 1 37 1 5.4 31950.700 70.80 11.31 0.109 -0.019 34.9 0.000 0.218 0.00 .24-.26-.05 1.1 .70 .14 320.000 12 0 12 0 0.0 32297.041 65.42 11.26 0.000 0.000 0.0 0.000 0.000 0.00 .86-1.1-.14 1.7 1.8 .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_11.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 26 4 22 8 0.0 44331.931 71.65 12.61 0.100 0.000 6.0 0.000 0.212 0.00-.00 .00-.03 .10 .07 .08 30.000 74 15 64 25 1.4 39155.856 69.39 13.24 0.085 -0.003 6.9 0.000 0.186 0.00 .00-.01-.03 .11 .10 .08 60.000 113 21 103 31 4.4 57573.320 91.48 13.73 0.069 0.002 9.5 0.000 0.153 0.00 .01-.06-.02 .15 .21 .10 90.000 123 20 117 26 0.8 55525.689 89.58 13.89 0.143 -0.010 19.9 0.000 0.295 0.00 .05-.07-.02 .20 .18 .10 120.000 113 11 111 13 0.9 49578.924 85.71 13.21 0.096 0.011 17.9 0.000 0.202 0.00 .05-.09-.01 .27 .23 .12 150.000 94 2 93 3 0.0 39286.164 73.50 12.56 0.113 0.000 16.2 0.000 0.171 0.00 .10-.14-.01 .38 .42 .09 180.000 70 0 70 0 0.0 35555.898 79.08 11.73 0.000 0.000 0.0 0.000 0.000 0.00 .11-.12-.02 .53 .22 .12 210.000 50 0 50 0 0.0 23048.009 55.42 11.33 0.000 0.000 0.0 0.000 0.000 0.00 .43-.26-.06 1.3 .78 .13 240.000 35 0 35 0 0.0 20431.442 53.58 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .92 .06-.11 2.0 .92 .42 270.000 12 0 12 0 0.0 22795.192 66.74 10.85 0.000 0.000 0.0 0.000 0.000 0.00 2.1 .63-.12 2.8 .90 .20 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 70 3 70 3 4.3 18974.483 42.31 11.40 0.175 -0.002 6.9 0.000 0.351 0.00 .34-.34-.04 1.1 .91 .14 2.000 32 10 32 10 0.0 61317.759 119.87 12.12 0.082 -0.032 13.0 0.000 0.164 0.00-.10-.08-.09 .12 .18 .12 3.000 398 12 389 21 0.3 26268.151 48.93 12.26 0.081 0.000 5.4 0.000 0.178 0.00 .23-.04-.03 .84 .33 .16 4.000 210 41 179 72 1.9 83646.552 136.06 14.66 0.104 0.004 14.6 0.000 0.210 0.00-.01-.05-.00 .10 .14 .09 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 226 35 195 66 3.1 48347.793 80.54 13.45 0.076 0.000 8.2 0.000 0.162 0.00 .01-.04-.02 .14 .17 .09 2.000 12 5 11 6 0.0 96117.009 212.61 13.61 0.145 -0.060 31.9 0.000 0.341 0.00 .01-.03-.08 .09 .10 .12 3.000 3 0 3 0 0.0 97683.432 176.08 11.62 0.000 0.000 0.0 0.000 0.000 0.00-.13-.16-.12 .18 .26 .13 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 8 0 8 0 0.0 11941.213 29.20 11.22 0.000 0.000 0.0 0.000 0.000 0.00 .52-.85-.11 .99 1.4 .19 6.000 66 0 66 0 1.5 12570.874 31.20 11.14 0.000 0.000 0.0 0.000 0.000 0.00 .56-.32-.03 1.7 .84 .17 7.000 167 0 167 0 0.0 18020.758 38.11 11.70 0.000 0.000 0.0 0.000 0.000 0.00 .28-.00-.04 .97 .34 .21 8.000 168 5 163 10 0.0 50793.652 81.43 13.11 0.168 0.000 17.9 0.000 0.403 0.00 .10-.06-.03 .22 .32 .10 9.000 60 15 51 24 0.0 107830.32 189.48 15.45 0.102 0.010 16.9 0.000 0.227 0.00 .04-.06 .03 .10 .11 .10 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.990 40 0 40 0 0.0 38187.041 73.23 13.08 0.000 0.000 0.0 0.000 0.000 0.00 .09 .10 .03 .94 .53 .14 5.752 36 4 36 4 0.0 47245.212 87.71 12.63 0.079 0.033 18.1 0.000 0.157 0.00 .47-.08-.03 1.5 .50 .11 9.515 38 1 38 1 0.0 41788.266 75.64 12.95 0.168 -0.005 25.7 0.000 0.335 0.00 .06-.02 .02 .25 .13 .07 13.277 32 1 32 1 3.1 28241.972 65.39 12.63 0.173 0.002 6.4 0.000 0.345 0.00 .33 .06-.08 1.1 .43 .40 17.040 40 4 40 4 0.0 58522.505 97.79 13.03 0.133 0.026 24.3 0.000 0.266 0.00 .06-.04-.01 .30 .22 .09 20.802 29 1 29 1 0.0 29684.424 63.44 12.58 0.058 -0.015 15.7 0.000 0.115 0.00 .07 .04-.02 .73 .27 .15 24.565 44 5 44 5 2.3 43774.530 80.48 12.92 0.118 -0.024 14.8 0.000 0.235 0.00 .12-.13-.06 .79 .69 .11 28.327 32 2 32 2 0.0 22721.650 52.18 12.53 0.102 0.011 8.4 0.000 0.204 0.00 .15 .09-.06 .57 .33 .11 32.090 41 5 41 5 0.0 44350.734 87.19 13.01 0.107 0.028 14.3 0.000 0.215 0.00 .05-.14-.06 .51 .56 .14 35.852 37 3 37 3 0.0 38855.907 67.86 12.88 0.138 -0.002 9.0 0.000 0.275 0.00 .05-.07-.05 .19 .12 .08 39.615 31 6 31 6 0.0 42496.921 76.55 13.05 0.112 0.047 11.0 0.000 0.225 0.00 .15-.10-.06 .38 .17 .10 43.377 36 6 36 6 2.8 48024.092 76.95 12.99 0.060 0.019 7.8 0.000 0.120 0.00 .07-.14-.04 .14 .16 .08 47.140 28 3 28 3 0.0 32838.407 62.12 12.82 0.074 0.019 7.8 0.000 0.147 0.00 .09-.13-.03 .35 .22 .13 50.902 39 6 39 6 2.6 63713.040 102.17 12.72 0.151 0.006 25.1 0.000 0.303 0.00 .06-.13-.02 .48 .23 .10 54.665 41 9 41 9 4.9 53654.957 88.79 12.95 0.052 -0.003 8.1 0.000 0.103 0.00 .29-.09-.04 1.1 .56 .13 58.427 36 10 36 10 2.8 57637.409 99.79 13.02 0.092 -0.030 13.2 0.000 0.185 0.00 .21-.13-.02 .53 .45 .14 62.190 34 7 34 7 0.0 43980.068 74.19 12.60 0.036 0.004 6.0 0.000 0.073 0.00 .15-.15 .01 .56 .29 .10 65.952 32 10 32 10 0.0 47430.446 87.54 13.26 0.147 -0.031 10.3 0.000 0.293 0.00 .32-.15-.03 1.2 .29 .12 69.715 37 12 37 12 0.0 42247.806 76.05 13.00 0.121 -0.024 11.9 0.000 0.242 0.00 .23-.14-.03 .43 .30 .11 73.477 27 11 27 11 3.7 43640.201 75.40 12.77 0.147 -0.074 11.6 0.000 0.294 0.00 .08-.05 .01 .50 .30 .10 77.240 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 60.000 67 2 67 2 0.0 39066.786 75.75 12.76 0.069 0.013 19.0 0.000 0.137 0.00 .25 .03 .01 1.2 .54 .13 70.000 101 6 101 6 1.0 44148.528 83.12 12.92 0.105 0.011 18.0 0.000 0.209 0.00 .19 .00-.02 .76 .28 .24 80.000 94 8 94 8 1.1 40759.672 77.64 12.86 0.120 -0.008 18.2 0.000 0.241 0.00 .07-.06-.04 .69 .51 .12 90.000 96 9 96 9 0.0 36737.700 71.91 12.78 0.111 0.016 12.4 0.000 0.221 0.00 .08-.05-.06 .48 .41 .12 100.000 87 13 87 13 1.1 42254.279 73.74 12.95 0.087 0.026 9.0 0.000 0.174 0.00 .10-.13-.04 .29 .17 .10 110.000 102 19 102 19 2.9 56036.195 93.20 12.90 0.108 -0.002 15.2 0.000 0.216 0.00 .16-.11-.03 .77 .40 .12 120.000 88 22 88 22 1.1 44319.558 78.10 12.91 0.070 -0.014 9.2 0.000 0.140 0.00 .16-.12-.01 .50 .35 .12 130.000 75 27 75 27 1.3 47789.902 83.72 12.94 0.134 -0.038 11.3 0.000 0.268 0.00 .24-.12-.01 .87 .31 .10 140.000 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_11.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9.250 59 2 59 2 0.0 41402.970 78.28 12.90 0.069 0.014 19.0 0.000 0.137 0.00 .20 .02 .02 1.1 .57 .12 9.300 68 3 68 3 0.0 38462.088 74.09 12.81 0.114 0.005 20.1 0.000 0.229 0.00 .21 .01-.00 .86 .21 .09 9.350 75 6 75 6 1.3 48187.400 89.72 12.90 0.111 0.014 19.9 0.000 0.222 0.00 .09 .01-.04 .72 .34 .28 9.400 69 6 69 6 1.4 35444.380 70.29 12.80 0.114 -0.018 13.7 0.000 0.228 0.00 .14-.06-.06 .76 .56 .10 9.450 70 6 70 6 0.0 36270.678 74.03 12.81 0.109 0.021 13.3 0.000 0.219 0.00 .10-.07-.06 .55 .48 .13 9.500 52 7 52 7 0.0 41858.117 72.32 12.93 0.075 0.006 6.9 0.000 0.150 0.00 .07-.09-.05 .19 .15 .09 9.550 57 8 57 8 1.8 43047.235 72.96 12.89 0.099 0.032 11.5 0.000 0.197 0.00 .10-.14-.03 .33 .18 .10 9.600 82 15 82 15 3.7 58279.645 96.08 12.91 0.099 0.004 15.1 0.000 0.197 0.00 .08-.15-.03 .46 .33 .11 9.650 70 17 70 17 1.4 50782.544 86.93 12.89 0.080 -0.015 10.9 0.000 0.160 0.00 .28-.08-.02 .89 .47 .12 9.700 59 19 59 19 0.0 42726.772 78.13 13.13 0.110 -0.023 9.6 0.000 0.220 0.00 .25-.15-.01 .95 .30 .13 9.750 47 15 47 15 2.1 38645.050 69.30 12.54 0.121 -0.032 9.6 0.000 0.241 0.00 .18-.08-.02 .51 .31 .10 9.800 2 2 2 2 0.0 176400.00 194.27 16.53 0.150 -0.150 28.5 0.000 0.299 0.00-.03-.07 .08 .03 .07 .08 9.850 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 9.900 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 9.950 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 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 10.050 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.100 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.150 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.250 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 12.000 710 53 657 106 1.1 44099.834 80.18 12.88 0.100 0.000 12.4 0.000 0.212 0.00 .15-.07-.03 .72 .39 .14 13.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3 1 3 1100.0 -9.960 -0.10 14.5425.799-11.491 3.8 0.00051.599 0.00-.28 .30 .13 .41 .59 .23 0.100 1 0 1 0100.0 133.931 0.88 11.22 0.000 0.000 0.0 0.000 0.000 0.00-1.6 1.4 .37 1.6 1.4 .37 0.200 1 0 1 0 0.0 305.128 2.31 11.20 0.000 0.000 0.0 0.000 0.000 0.00 1.9-.04-.09 1.9 .04 .09 0.300 9 0 9 0 22.2 8065.865 31.27 12.03 0.000 0.000 0.0 0.000 0.000 0.00 .63-.14 .07 1.9 .41 .23 0.400 38 2 38 2 0.0 25325.882 48.14 13.22 0.038 0.000 1.5 0.000 0.076 0.00 .13 .01-.02 .31 .13 .07 0.500 70 6 70 6 2.9 34090.441 60.00 12.82 0.081 -0.008 5.9 0.000 0.162 0.00-.01-.04-.02 .61 .16 .09 0.600 138 19 134 23 0.0 34197.199 64.98 12.65 0.070 0.005 7.7 0.000 0.159 0.00 .18-.02-.04 .75 .41 .12 0.700 112 17 112 17 0.0 44378.923 77.79 12.82 0.087 -0.002 11.8 0.000 0.173 0.00 .19-.15-.02 .60 .41 .10 0.800 231 33 225 39 0.0 42113.216 74.25 12.75 0.098 -0.008 12.8 0.000 0.217 0.00 .20-.10-.03 .86 .44 .11 0.900 107 15 104 18 0.0 79171.592 140.48 13.50 0.137 0.010 21.8 0.000 0.265 0.00 .06-.06-.04 .32 .33 .24 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 692 53 639 106 1.2 44891.402 81.23 12.93 0.100 0.000 12.4 0.000 0.212 0.00 .09-.06-.02 .46 .27 .14 0.050 2 0 2 0 0.0 7326.300 23.19 10.87 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .56-.10 1.7 .57 .11 0.100 2 0 2 0 0.0 11468.100 36.00 11.06 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.77-.06 1.7 .83 .13 0.150 2 0 2 0 0.0 16371.550 33.38 10.98 0.000 0.000 0.0 0.000 0.000 0.00 1.7-.30-.12 2.1 .91 .12 0.200 1 0 1 0 0.0 34695.301 65.35 11.23 0.000 0.000 0.0 0.000 0.000 0.00 .26-.44 .11 .26 .44 .11 0.250 4 0 4 0 0.0 21156.700 40.38 11.11 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.13-.27 1.4 1.9 .27 0.300 1 0 1 0 0.0 12384.800 27.37 10.71 0.000 0.000 0.0 0.000 0.000 0.00 5.1 .75-.34 5.1 .75 .34 0.350 1 0 1 0 0.0 5347.600 15.47 10.83 0.000 0.000 0.0 0.000 0.000 0.00 6.5-1.2-.16 6.5 1.2 .16 0.400 1 0 1 0 0.0 2811.500 10.29 10.71 0.000 0.000 0.0 0.000 0.000 0.00 5.5-1.0 .42 5.5 1.0 .42 0.450 1 0 1 0 0.0 9298.100 19.87 10.71 0.000 0.000 0.0 0.000 0.000 0.00 6.2 1.6-.16 6.2 1.6 .16 0.500 1 0 1 0 0.0 8949.300 17.92 10.75 0.000 0.000 0.0 0.000 0.000 0.00 5.7-2.7-.29 5.7 2.7 .29 0.550 2 0 2 0 0.0 8793.400 14.84 10.97 0.000 0.000 0.0 0.000 0.000 0.00 3.1-1.2-.37 3.5 3.4 .38 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_11.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 32 5 32 5 6.2 46247.859 90.97 12.76 0.103 -0.029 10.8 0.000 0.205 0.00 .13 .02-.03 .60 .41 .11 0.050 47 6 47 6 4.3 32560.916 71.99 13.04 0.085 0.006 6.0 0.000 0.171 0.00 .03-.06-.02 .24 .16 .10 0.100 36 5 36 5 0.0 28026.628 58.65 12.98 0.124 -0.011 8.3 0.000 0.248 0.00 .02-.19 .01 .81 .60 .10 0.150 30 4 30 4 0.0 36598.552 74.20 12.75 0.129 -0.011 13.4 0.000 0.258 0.00 .01-.06 .01 .34 .14 .10 0.200 39 3 38 4 0.0 40644.059 69.81 13.05 0.081 0.012 10.2 0.000 0.150 0.00 .30-.24-.01 .88 .78 .11 0.250 28 4 28 4 0.0 50224.782 84.45 12.82 0.122 -0.028 18.7 0.000 0.244 0.00 .13-.07-.03 .21 .16 .09 0.300 47 13 46 14 0.0 62251.411 94.97 13.68 0.126 0.007 19.4 0.000 0.235 0.00 .31-.02-.08 1.1 .66 .35 0.350 30 4 30 4 0.0 64336.080 91.26 13.11 0.123 0.024 11.0 0.000 0.245 0.00 .06-.04-.01 .66 .16 .07 0.400 47 5 47 5 0.0 42687.458 75.95 12.74 0.115 -0.014 9.5 0.000 0.230 0.00 .16-.04-.02 .77 .23 .11 0.450 33 1 33 1 0.0 31840.836 65.49 12.14 0.298 0.003 8.4 0.000 0.595 0.00 .13-.03-.03 .47 .24 .10 0.500 38 10 38 10 2.6 50471.793 87.36 13.12 0.140 0.017 16.2 0.000 0.280 0.00 .12-.05-.04 .37 .16 .11 0.550 34 6 34 6 2.9 58898.632 92.01 12.78 0.090 0.015 14.6 0.000 0.180 0.00 .24-.09-.03 1.1 .37 .12 0.600 33 5 33 5 0.0 34981.385 62.60 12.68 0.078 0.001 6.6 0.000 0.156 0.00 .09-.08-.01 .45 .22 .09 0.650 46 8 46 8 2.2 44680.529 75.51 13.00 0.112 -0.014 10.0 0.000 0.224 0.00 .21-.12-.03 .91 .47 .12 0.700 52 8 52 8 0.0 51741.906 96.95 12.96 0.072 0.007 11.7 0.000 0.144 0.00 .38-.05-.03 1.2 .28 .11 0.750 19 2 19 2 0.0 49879.241 87.68 13.10 0.075 0.009 6.4 0.000 0.150 0.00 .09-.03-.07 .46 .16 .11 0.800 23 3 23 3 0.0 44340.478 85.99 12.18 0.067 -0.024 18.3 0.000 0.134 0.00 .04-.18-.04 .39 .31 .14 0.850 33 4 32 5 0.0 41306.908 76.46 12.76 0.025 -0.004 3.9 0.000 0.038 0.00 .04-.02-.05 .39 .30 .12 0.900 30 5 30 5 0.0 45274.434 92.69 12.90 0.095 0.006 16.1 0.000 0.190 0.00 .12-.07-.02 .36 .30 .10 0.950 33 2 33 2 3.0 23625.918 52.17 12.41 0.197 -0.009 9.1 0.000 0.394 0.00 .18 .01-.01 .56 .41 .16 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.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 1686.879 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3373.758 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6747.516 10 2 10 2 10.0 4880.909 17.64 14.23 0.313 0.052 5.2 0.000 0.625 0.00 .06-.04-.03 .13 .09 .19 13495.031 216 19 206 29 1.9 20079.869 41.55 13.15 0.162 -0.003 7.8 0.000 0.349 0.00 .05-.04-.01 .15 .10 .09 26990.062 286 22 273 35 1.0 35403.009 62.99 12.56 0.093 -0.001 8.7 0.000 0.209 0.00 .05-.08-.03 .37 .23 .16 53980.125 138 12 133 17 0.0 55940.123 97.31 12.57 0.125 -0.001 16.6 0.000 0.289 0.00 .39-.11-.04 1.2 .59 .15 107960.250 47 12 39 20 0.0 132629.84 183.63 14.06 0.086 0.002 20.8 0.000 0.186 0.00 .56-.06-.07 1.6 .92 .14 215920.500 11 2 10 3 0.0 197226.41 272.57 13.45 0.082 0.006 24.9 0.000 0.155 0.00 .03-.06-.01 .09 .10 .12 431841.000 2 0 2 0 0.0 338365.50 484.42 13.40 0.000 0.000 0.0 0.000 0.000 0.00 .21-.24 .26 .38 .30 .27 863682.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.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 1.793 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.586 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.379 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.172 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.965 15 0 15 0 0.0 8085.547 23.95 10.71 0.000 0.000 0.0 0.000 0.000 0.00 3.0 .16-.10 3.5 1.2 .20 10.758 358 10 357 11 0.8 24870.170 52.85 11.62 0.146 -0.006 12.9 0.000 0.289 0.00 .14-.10-.04 .71 .48 .17 12.551 208 23 200 31 0.5 46777.443 74.17 13.40 0.074 0.007 6.9 0.000 0.155 0.00 .07-.05-.02 .13 .10 .08 14.344 79 24 71 32 2.5 78918.375 128.25 15.03 0.109 0.014 12.9 0.000 0.215 0.00-.01-.03-.01 .08 .07 .10 16.137 50 20 38 32 4.0 126436.37 169.94 17.00 0.103 -0.015 17.0 0.000 0.230 0.00-.01-.06 .03 .12 .17 .09 17.930 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 0 4 0 25.0 1706.558 8.65 11.01 0.000 0.000 0.0 0.000 0.000 0.00-2.3 .80 .21 2.5 .98 .24 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 0 1 0 0.0 9571.600 27.81 10.87 0.000 0.000 0.0 0.000 0.000 0.00-1.2-.36 .00 1.2 .36 .00 -1.140 1 0 1 0 0.0 4352.900 15.94 10.96 0.000 0.000 0.0 0.000 0.000 0.00-1.1-.59 .28 1.1 .59 .28 -1.020 1 0 1 0 0.0 16181.200 38.51 10.78 0.000 0.000 0.0 0.000 0.000 0.00-1.0-.28 .14 1.0 .28 .14 -0.900 4 1 4 1 0.0 7990.775 26.88 12.67 0.577 -0.099 15.0 0.000 1.153 0.00-.85-.31 .25 .85 .60 .30 -0.780 4 0 4 0 25.0 2641.641 12.32 11.42 0.000 0.000 0.0 0.000 0.000 0.00-.74 .03 .20 .74 .64 .25 -0.660 2 0 2 0 0.0 5798.250 18.05 11.06 0.000 0.000 0.0 0.000 0.000 0.00-.58 .16 .05 .58 .37 .06 -0.540 4 0 4 0 0.0 4673.575 17.67 10.97 0.000 0.000 0.0 0.000 0.000 0.00-.48-.16 .21 .48 .31 .26 -0.420 7 0 7 0 0.0 6233.460 22.07 11.31 0.000 0.000 0.0 0.000 0.000 0.00-.35-.07 .02 .35 .28 .16 -0.300 16 1 16 1 0.0 28612.444 58.23 11.57 0.329 0.002 4.1 0.000 0.659 0.00-.23-.08 .06 .24 .21 .13 -0.180 108 16 101 23 1.9 52013.386 92.95 13.07 0.072 -0.010 9.0 0.000 0.156 0.00-.10-.03-.01 .11 .12 .10 -0.060 232 35 211 56 0.9 62245.032 102.84 13.75 0.112 0.002 16.4 0.000 0.223 0.00 .00-.05-.01 .04 .12 .08 0.060 180 13 172 21 0.6 41787.256 69.78 12.99 0.080 0.003 7.2 0.000 0.155 0.00 .11-.07-.02 .12 .14 .08 0.180 66 3 65 4 1.5 34537.132 58.39 12.31 0.078 0.001 5.3 0.000 0.148 0.00 .22-.16-.04 .23 .24 .08 0.300 22 0 22 0 0.0 10640.432 28.96 11.46 0.000 0.000 0.0 0.000 0.000 0.00 .36-.09-.09 .36 .29 .14 0.420 8 0 8 0 0.0 28968.588 78.69 11.13 0.000 0.000 0.0 0.000 0.000 0.00 .48-.15-.30 .48 .33 .78 0.540 4 0 4 0 0.0 9985.124 26.33 11.53 0.000 0.000 0.0 0.000 0.000 0.00 .61-.25-.14 .61 .60 .17 0.660 2 0 2 0 0.0 9900.050 27.74 11.24 0.000 0.000 0.0 0.000 0.000 0.00 .73-.16-.19 .73 .42 .19 0.780 8 0 8 0 0.0 6982.066 23.42 11.20 0.000 0.000 0.0 0.000 0.000 0.00 .86-.34-.19 .86 .54 .21 0.900 2 0 2 0 0.0 13155.350 35.87 10.93 0.000 0.000 0.0 0.000 0.000 0.00 .93 .04-.11 .93 .04 .11 1.020 6 0 6 0 0.0 5784.750 21.54 11.01 0.000 0.000 0.0 0.000 0.000 0.00 1.1-.11-.16 1.1 .68 .16 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 2 0 2 0 0.0 10533.150 28.72 10.87 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .57-.30 1.3 1.5 .30 1.380 26 0 26 0 0.0 6797.151 20.30 10.83 0.000 0.000 0.0 0.000 0.000 0.00 3.0-.14-.17 3.4 1.6 .25 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 0 4 0 0.0 6253.400 14.22 10.94 0.000 0.000 0.0 0.000 0.000 0.00 3.9-3.1-.34 4.1 3.2 .34 -1.380 1 0 1 0 0.0 22332.199 42.39 10.98 0.000 0.000 0.0 0.000 0.000 0.00 1.1-1.4-.12 1.1 1.4 .12 -1.260 2 0 2 0 0.0 14294.800 29.81 11.04 0.000 0.000 0.0 0.000 0.000 0.00 3.6-1.2-.15 4.6 1.2 .15 -1.140 5 1 5 1 0.0 5388.980 19.28 12.13 0.577 -0.118 15.0 0.000 1.153 0.00 1.9-1.1 .08 2.8 1.1 .26 -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 4 0 4 0 0.0 13202.575 33.51 11.00 0.000 0.000 0.0 0.000 0.000 0.00 1.4-.81-.20 2.0 .81 .22 -0.780 2 0 2 0 0.0 17994.799 44.50 11.18 0.000 0.000 0.0 0.000 0.000 0.00-.32-.73 .04 .55 .73 .13 -0.660 4 0 4 0 0.0 3079.397 13.26 11.31 0.000 0.000 0.0 0.000 0.000 0.00 .14-.60-.09 .86 .60 .23 -0.540 12 0 12 0 0.0 28956.772 68.90 11.32 0.000 0.000 0.0 0.000 0.000 0.00 .27-.46-.02 .52 .47 .17 -0.420 29 0 29 0 0.0 29533.349 57.62 11.27 0.000 0.000 0.0 0.000 0.000 0.00 .07-.35-.04 .46 .35 .14 -0.300 81 3 81 3 2.5 44769.980 75.28 12.08 0.141 -0.010 23.6 0.000 0.281 0.00 .09-.22-.01 .22 .22 .08 -0.180 186 27 177 36 0.5 46524.663 77.76 13.24 0.112 0.002 11.6 0.000 0.207 0.00 .07-.11-.01 .21 .12 .07 -0.060 283 38 263 58 1.1 53562.955 93.29 13.52 0.091 0.002 11.8 0.000 0.192 0.00 .03-.00-.01 .30 .03 .10 0.060 56 8 56 8 0.0 38262.643 76.64 12.66 0.112 -0.001 15.7 0.000 0.224 0.00 .07 .11-.04 .42 .11 .12 0.180 14 0 14 0 0.0 9328.243 28.20 11.49 0.000 0.000 0.0 0.000 0.000 0.00 .18 .23-.19 .48 .23 .60 0.300 6 0 6 0 0.0 10709.744 32.23 11.26 0.000 0.000 0.0 0.000 0.000 0.00 .52 .36-.13 .77 .36 .20 0.420 4 0 4 0 0.0 8999.953 27.09 11.03 0.000 0.000 0.0 0.000 0.000 0.00 .24 .48-.09 .62 .48 .14 0.540 2 0 2 0 0.0 5529.200 19.59 10.79 0.000 0.000 0.0 0.000 0.000 0.00-.51 .57-.04 3.4 .57 .07 0.660 5 0 5 0 0.0 8062.761 27.16 10.85 0.000 0.000 0.0 0.000 0.000 0.00 2.2 .71-.20 2.8 .71 .21 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 2 0 2 0 50.0 733.368 5.03 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .91 .97 .15 1.9 .97 .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 0 0 0 0 0.0 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 3 0 3 0 33.3 1259.244 6.65 10.94 0.000 0.000 0.0 0.000 0.000 0.00-.39 1.3 .15 1.9 1.3 .27 1.380 5 0 5 0 0.0 6897.160 18.18 10.86 0.000 0.000 0.0 0.000 0.000 0.00 2.7 2.0-.33 3.3 2.1 .37 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 0 0.0 8703.000 25.04 10.90 0.000 0.000 0.0 0.000 0.000 0.00 .45 .28-2.2 .45 .28 2.2 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.660 1 0 1 0 0.0 1070.000 6.03 11.05 0.000 0.000 0.0 0.000 0.000 0.00 1.8 3.0-.61 1.8 3.0 .61 -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 9 0 9 0 0.0 8878.348 21.18 11.40 0.000 0.000 0.0 0.000 0.000 0.00 2.0-.85-.35 2.7 2.1 .35 -0.300 30 2 30 2 6.7 22873.393 64.55 11.74 0.094 -0.029 19.1 0.000 0.189 0.00 .65-.11-.22 1.3 .80 .22 -0.180 211 28 206 33 0.9 45130.015 81.61 12.68 0.095 0.004 12.6 0.000 0.176 0.00 .29-.06-.10 .85 .30 .11 -0.060 350 41 338 53 0.0 45540.227 77.16 13.05 0.105 0.000 12.2 0.000 0.210 0.00 .05-.07-.00 .37 .15 .03 0.060 84 14 82 16 1.2 50474.066 93.12 13.50 0.100 -0.004 12.2 0.000 0.212 0.00-.05-.09 .10 .23 .20 .10 0.180 16 1 16 1 6.2 40118.227 137.09 12.37 0.577 -0.005 15.0 0.000 1.153 0.00-.47 .00 .24 .83 .46 .24 0.300 4 1 4 1 50.0 41749.588 182.50 12.37 0.698 -0.002 1.9 0.000 1.396 0.00-.49 .49 .36 .93 .88 .36 0.420 4 0 4 0 0.0 6194.600 20.30 11.00 0.000 0.000 0.0 0.000 0.000 0.00 1.0-.35 .45 2.8 .55 .45 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 604 0 604 0 1.2 36785.596 69.28 12.52 0.000 0.000 0.0 0.000 0.000 0.00 .18-.08-.03 .78 .41 .15 1.000 106 53 53 106 0.9 85777.190 130.24 14.93 0.100 0.000 12.4 0.000 0.212 0.00-.00-.05-.02 .12 .13 .10 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_11.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 710 53 657 106 1.1 44099.834 80.18 12.88 0.100 0.000 12.4 0.000 0.212 0.00 .15-.07-.03 .72 .39 .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_11.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 113 25 88 50 1.8 104271.17 177.53 15.33 0.116 0.000 18.8 0.000 0.247 0.00 .01-.06 .00 .11 .14 .10 1.860 101 15 86 30 2.0 66074.326 103.47 13.80 0.065 0.000 7.4 0.000 0.135 0.00-.06-.04-.02 .08 .11 .09 1.477 91 7 84 14 0.0 44402.264 70.77 13.21 0.086 0.000 6.6 0.000 0.184 0.00 .08-.04-.03 .14 .16 .09 1.290 82 4 78 8 2.4 34408.990 58.03 12.81 0.067 0.000 4.0 0.000 0.133 0.00 .13-.07-.04 .15 .16 .08 1.172 71 2 69 4 1.4 28246.141 48.05 12.44 0.160 0.000 6.0 0.000 0.381 0.00 .07-.06-.02 .17 .20 .09 1.088 69 0 69 0 0.0 19196.866 38.15 11.99 0.000 0.000 0.0 0.000 0.000 0.00 .08-.03-.03 .29 .41 .12 1.024 56 0 56 0 1.8 20895.591 40.72 11.60 0.000 0.000 0.0 0.000 0.000 0.00 .14-.06-.03 .47 .52 .13 0.973 50 0 50 0 0.0 13579.848 32.37 11.29 0.000 0.000 0.0 0.000 0.000 0.00 .08-.20-.04 .59 .58 .34 0.931 41 0 41 0 0.0 10904.266 29.71 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .30-.17-.03 1.1 .76 .13 0.895 36 0 36 0 0.0 10175.281 28.78 10.81 0.000 0.000 0.0 0.000 0.000 0.00 1.7-.12-.08 2.8 .88 .22 0.864 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28 2 26 4 28.6 517.443 3.48 12.78 0.623 0.000 2.6 0.000 0.774 0.00 .12 .14-.01 .78 .50 .22 996.484 19 1 19 1 0.0 1369.300 6.72 11.80 0.965 -0.043 5.6 0.000 1.930 0.00 .10 .14-.06 1.2 .79 .19 1992.969 47 3 47 3 0.0 3069.943 12.41 12.07 0.406 -0.015 5.8 0.000 0.812 0.00 .63-.13-.04 1.5 .91 .16 3985.938 59 3 59 3 0.0 5870.212 18.94 12.25 0.324 -0.012 8.6 0.000 0.647 0.00 .21-.09-.01 1.1 .38 .13 7971.875 122 4 121 5 0.0 11160.295 28.74 12.19 0.192 0.006 6.8 0.000 0.413 0.00 .30-.06-.04 1.1 .45 .23 15943.750 150 11 144 17 0.0 23642.005 45.02 12.31 0.187 -0.012 10.9 0.000 0.436 0.00 .10-.12-.04 .32 .25 .09 31887.500 135 18 128 25 0.0 45952.225 69.57 13.21 0.110 -0.000 9.6 0.000 0.250 0.00 .04-.08-.02 .11 .15 .07 63775.000 91 16 84 23 0.0 85828.047 100.38 13.88 0.122 -0.006 14.9 0.000 0.283 0.00 .06-.08-.01 .11 .12 .08 127550.000 51 13 43 21 0.0 181138.12 186.10 14.98 0.085 0.003 18.6 0.000 0.202 0.00-.00-.05-.02 .11 .12 .10 255100.000 8 3 7 4 0.0 327493.00 267.12 15.98 0.063 0.023 15.1 0.000 0.156 0.00 .01-.08 .01 .07 .10 .10 510200.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6 1 6 1100.0 92.382 0.73 13.4325.799 -0.619 3.8 0.00051.599 0.00-.38 .30 .08 .74 .71 .24 1.889 7 1 7 1 28.6 377.506 2.67 13.17 0.698 -0.095 1.9 0.000 1.396 0.00 .25-.06 .10 .73 .15 .22 3.567 27 3 27 3 0.0 992.243 5.24 12.21 0.636 -0.020 3.4 0.000 1.271 0.00 .43 .00-.10 1.2 1.1 .23 6.736 39 1 39 1 0.0 2606.649 10.23 11.67 0.329 0.011 4.1 0.000 0.659 0.00 .50-.02-.03 1.5 .74 .15 12.721 90 2 89 3 0.0 6310.217 19.47 12.16 0.312 -0.005 5.1 0.000 0.774 0.00 .35-.06-.02 1.3 .50 .14 24.024 185 5 182 8 0.0 16069.289 35.17 12.07 0.206 0.000 7.9 0.000 0.380 0.00 .18-.11-.04 .65 .32 .19 45.370 204 18 191 31 0.0 42446.589 63.58 12.96 0.127 -0.004 9.3 0.000 0.284 0.00 .06-.08-.02 .14 .16 .07 85.684 98 20 84 34 0.0 87312.178 111.46 14.27 0.096 -0.002 11.2 0.000 0.233 0.00 .01-.06-.02 .09 .11 .08 161.819 50 13 40 23 0.0 187468.06 210.63 15.30 0.092 0.008 22.2 0.000 0.198 0.00 .02-.05-.01 .08 .10 .09 305.604 4 1 4 1 0.0 262349.25 408.96 13.42 0.109 -0.021 34.9 0.000 0.218 0.00 .08-.17 .04 .28 .24 .24 577.149 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Rsym # 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 134028.13 147.37 15.28 0.012 0.000 1.5 0.000 0.025 0.00 .02-.03-.04 .08 .07 .08 0.030 17 9 9 17 0.0 112583.55 143.20 14.70 0.050 0.002 6.8 0.000 0.101 0.00 .01-.02-.02 .10 .05 .08 0.060 9 6 6 9 0.0 119580.09 160.76 14.99 0.080 0.025 11.9 0.000 0.169 0.00 .01-.02 .02 .09 .06 .09 0.090 14 12 12 14 0.0 66936.500 104.39 14.87 0.107 0.011 10.5 0.000 0.217 0.00 .03-.07-.04 .11 .10 .11 0.120 10 10 10 10 0.0 48373.430 88.92 14.71 0.130 0.020 10.9 0.000 0.260 0.00 .03-.05 .01 .09 .08 .07 0.150 11 11 11 11 0.0 98635.073 151.49 15.27 0.157 0.073 20.8 0.000 0.314 0.00 .02-.02-.03 .07 .06 .09 0.180 5 5 5 5 0.0 92933.441 131.03 14.42 0.199 0.181 22.5 0.000 0.398 0.00 .00-.02-.03 .09 .10 .06 0.210 4 4 4 4 0.0 111431.95 152.38 15.43 0.221 -0.190 28.1 0.000 0.441 0.00 .04 .00-.01 .07 .07 .09 0.240 4 4 4 4 0.0 36309.150 93.08 14.30 0.250 -0.207 20.0 0.000 0.501 0.00-.05-.12-.07 .08 .13 .09 0.270 4 4 4 4 0.0 23092.633 63.67 14.73 0.296 0.158 14.2 0.000 0.593 0.00-.05-.10-.09 .07 .14 .11 0.300 2 2 2 2 0.0 50630.301 118.24 13.51 0.328 -0.306 29.6 0.000 0.655 0.00-.10 .02 .09 .15 .07 .10 0.330 2 2 2 2 0.0 74236.200 100.43 14.88 0.337 -0.337 30.4 0.000 0.673 0.00 .04-.03 .04 .08 .08 .07 0.360 1 1 1 1 0.0 18226.801 45.50 15.86 0.373 -0.373 16.9 0.000 0.745 0.00-.02-.03-.08 .02 .03 .08 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.480 1 1 1 1 0.0 673.370 5.57 15.14 0.510 0.510 2.8 0.000 1.020 0.00-.04-.12-.09 .04 .12 .09 0.510 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.570 6 6 6 6 16.7 5887.396 27.55 15.39 0.725 -0.725 13.6 0.000 1.449 0.00-.23-.18 .10 .35 .45 .21 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 6 6 6 6 16.7 5887.396 27.55 15.39 0.725 -0.725 13.6 0.000 1.449 0.00-.23-.18 .10 .35 .45 .21 -0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.420 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 2 2 2 2 0.0 22493.101 47.96 14.65 0.364 -0.364 17.4 0.000 0.728 0.00 .05 .00-.05 .08 .04 .06 -0.340 2 2 2 2 0.0 109789.80 144.22 15.53 0.330 -0.330 49.0 0.000 0.660 0.00-.01-.08 .07 .02 .08 .08 -0.300 2 2 2 2 0.0 14024.600 52.44 12.44 0.288 -0.288 13.7 0.000 0.575 0.00-.09-.12-.07 .10 .12 .09 -0.260 4 4 4 4 0.0 91156.100 140.08 14.60 0.232 -0.232 29.1 0.000 0.464 0.00 .00-.06-.09 .10 .13 .10 -0.220 2 2 2 2 0.0 98064.150 150.83 14.64 0.217 -0.217 26.3 0.000 0.434 0.00-.04-.07-.00 .09 .07 .06 -0.180 6 6 6 6 0.0 61613.784 112.79 15.63 0.156 -0.156 18.5 0.000 0.311 0.00 .04-.06 .01 .08 .07 .10 -0.140 8 8 8 8 0.0 55397.413 100.83 14.32 0.116 -0.116 10.4 0.000 0.233 0.00-.01-.08-.04 .10 .10 .11 -0.100 5 5 5 5 0.0 90290.400 130.29 14.87 0.085 -0.085 10.3 0.000 0.169 0.00 .03-.04 .01 .11 .05 .11 -0.060 9 9 9 9 0.0 100907.26 132.00 14.36 0.051 -0.051 6.3 0.000 0.103 0.00 .02-.02-.02 .11 .06 .07 -0.020 14 7 7 14 0.0 148772.21 157.40 15.60 0.012 0.000 1.6 0.000 0.024 0.00 .01-.03-.05 .07 .07 .08 0.020 10 10 10 10 0.0 106739.42 136.78 14.67 0.047 0.047 6.1 0.000 0.095 0.00 .03-.03-.01 .10 .04 .08 0.060 7 7 7 7 0.0 123803.27 153.01 15.35 0.082 0.082 12.0 0.000 0.164 0.00 .02-.03 .01 .09 .08 .07 0.100 11 11 11 11 0.0 56936.054 97.47 14.79 0.116 0.116 10.9 0.000 0.231 0.00 .06-.06-.01 .11 .08 .08 0.140 7 7 7 7 0.0 117831.20 163.45 15.05 0.156 0.156 20.5 0.000 0.312 0.00-.00 .01-.05 .05 .06 .07 0.180 5 5 5 5 0.0 95342.220 129.48 15.08 0.200 0.200 23.0 0.000 0.399 0.00 .02-.01-.00 .07 .09 .07 0.220 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.260 4 4 4 4 0.0 20622.283 60.52 15.50 0.293 0.293 12.7 0.000 0.586 0.00-.01-.10-.08 .02 .13 .11 0.300 1 1 1 1 0.0 3394.000 12.35 12.27 0.329 0.329 4.1 0.000 0.659 0.00-.21 .09 .13 .21 .09 .13 0.340 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.460 1 1 1 1 0.0 673.370 5.57 15.14 0.510 0.510 2.8 0.000 1.020 0.00-.04-.12-.09 .04 .12 .09 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6 3 3 6 0.0 99865.666 157.95 15.81 0.003 0.000 0.5 0.000 0.006 0.00 .01-.03-.04 .05 .10 .08 1.000 10 5 5 10 0.0 55287.182 86.35 14.21 0.016 0.000 1.5 0.000 0.031 0.00 .05-.06 .02 .13 .09 .15 2.000 4 3 3 4 0.0 29741.117 61.79 13.79 0.044 0.024 2.7 0.000 0.089 0.00-.01-.06-.06 .12 .07 .08 3.000 13 8 8 13 7.7 109427.08 133.51 14.98 0.026 0.000 3.5 0.000 0.054 0.00-.00-.01-.05 .09 .05 .09 4.000 3 3 3 3 0.0 36161.999 66.01 12.90 0.066 0.004 4.3 0.000 0.132 0.00-.07 .01-.05 .14 .07 .13 5.000 3 3 3 3 0.0 20838.333 43.57 12.82 0.128 0.007 5.5 0.000 0.257 0.00 .01-.06-.05 .12 .07 .07 6.000 4 4 4 4 0.0 38323.176 61.72 13.78 0.108 0.052 6.6 0.000 0.215 0.00 .03-.02-.00 .13 .05 .05 7.000 5 5 5 5 0.0 83096.620 102.38 13.96 0.075 0.024 7.6 0.000 0.150 0.00 .03-.04 .01 .13 .07 .06 8.000 11 10 10 11 0.0 50223.655 90.78 14.61 0.094 0.000 8.5 0.000 0.191 0.00 .01-.03-.01 .08 .07 .08 9.000 2 2 2 2 0.0 42655.199 74.44 16.04 0.125 -0.125 9.4 0.000 0.251 0.00-.03-.03 .06 .04 .06 .06 10.000 2 2 2 2 0.0 66118.300 93.35 13.78 0.114 0.042 10.6 0.000 0.229 0.00 .06-.09-.11 .09 .10 .11 11.000 5 5 5 5 0.0 46212.421 87.10 14.67 0.133 -0.015 11.5 0.000 0.267 0.00-.04-.05-.04 .09 .07 .06 12.000 2 2 2 2 0.0 21663.550 66.86 16.01 0.184 -0.037 12.2 0.000 0.367 0.00 .02-.10 .08 .04 .10 .11 13.000 5 5 5 5 0.0 85359.220 129.81 15.13 0.103 0.062 13.4 0.000 0.206 0.00-.01 .01-.00 .07 .06 .08 14.000 2 2 2 2 0.0 118290.95 217.79 17.00 0.066 -0.066 14.6 0.000 0.132 0.00-.43-.57 .18 .58 .79 .22 15.000 3 2 2 3 0.0 189155.67 236.94 17.41 0.065 0.021 15.4 0.000 0.139 0.00 .06-.06 .00 .06 .09 .08 16.000 2 2 2 2 0.0 132712.40 185.79 16.42 0.091 0.040 16.9 0.000 0.181 0.00 .00-.02 .01 .02 .02 .09 17.000 2 2 2 2 0.0 54146.802 88.93 15.50 0.197 -0.197 17.6 0.000 0.394 0.00 .06-.04 .01 .08 .08 .03 18.000 2 2 2 2 0.0 117180.75 181.39 14.53 0.101 -0.101 18.3 0.000 0.202 0.00-.06-.07 .05 .10 .09 .09 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 1 1 1 1 0.0 100123.00 122.10 16.29 0.168 0.168 20.5 0.000 0.335 0.00 .03-.11-.01 .03 .11 .01 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 67683.797 178.40 17.06 0.126 0.126 22.4 0.000 0.251 0.00 .09-.07 .10 .09 .07 .10 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 18 10 10 18 0.0 144883.04 192.35 15.55 0.188 -0.010 35.5 0.000 0.420 0.00-.01-.04-.05 .06 .10 .10 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 710 53 657 106 1.1 44099.834 80.18 12.88 0.100 0.000 12.4 0.000 0.212 0.00 .15-.07-.03 .72 .39 .14 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 54 0 54 0 3.7 72227.114 123.35 14.04 0.000 0.000 0.0 0.000 0.000 0.00 .03-.11-.02 .12 .19 .10 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_11.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.860 88 175 50.29 1.28 0.116 25 14.29 0.116 177.53 1.8 to 1.477 174 337 51.63 1.23 0.103 40 11.87 0.065 103.47 2.0 to 1.290 258 503 51.29 1.18 0.101 47 9.34 0.086 70.77 0.0 to 1.172 336 674 49.85 1.15 0.100 51 7.57 0.067 58.03 2.4 to 1.088 405 830 48.80 1.13 0.100 53 6.39 0.160 48.05 1.4 to 1.024 474 989 47.93 1.11 0.100 53 5.36 0.000 38.15 0.0 to 0.973 530 1158 45.77 1.10 0.100 53 4.58 0.000 40.72 1.8 to 0.931 580 1312 44.21 1.09 0.100 53 4.04 0.000 32.37 0.0 to 0.895 621 1460 42.53 1.09 0.100 53 3.63 0.000 29.71 0.0 to 0.864 657 1633 40.23 1.08 0.100 53 3.25 0.000 28.78 0.0