SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:22:41 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 4 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_03_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_03_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_03_0001.sfrm) Base offset per exposure: 64 (from frame neal054_03_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_03_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:22:41 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_03_0001.sfrm Nominal time per frame (s): 26 Intensity normalization in deg/min: 2.30769 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:22:43 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_03_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:22:43 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_03_0001.sfrm Active pixel mask written to neal054_am_03_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 90.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 80 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:22:43 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 = 92.43% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 2_0003 6 -0.23 -0.35 0.30 0.39 0.56 0.32 54183 53 0 0.26 25 0.78 0.78 2.27 1.000 3_0004 11 0.16 -0.33 0.23 0.46 0.40 0.39 69279 78 0 0.46 26 0.78 0.78 2.27 1.000 4_0005 7 -0.16 -0.27 0.45 0.28 0.32 0.53 24639 46 0 0.60 25 0.78 0.78 2.27 1.000 5_0006 6 -0.24 -0.31 0.32 0.27 0.52 0.35 19111 38 0 0.66 29 0.78 0.78 2.27 1.000 6_0007 8 -0.11 -0.27 0.44 0.25 0.30 0.49 74374 87 0 0.69 26 0.78 0.78 2.27 1.000 7_0008 4 -0.22 -0.15 0.31 0.22 0.37 0.32 10287 24 0 0.72 27 0.78 0.78 2.27 1.000 8_0009 13 0.12 -0.28 0.34 0.46 0.42 0.50 53700 67 0 0.64 27 0.78 0.78 2.27 1.000 9_0010 12 0.36 -0.27 -0.01 0.65 0.44 0.42 42598 51 0 0.61 26 0.78 0.78 2.27 1.000 10_0011 12 -0.08 -0.24 0.35 0.36 0.35 0.36 141867 120 0 0.71 31 0.78 0.78 2.27 1.000 11_0012 8 0.25 -0.19 0.32 0.75 0.27 0.35 87770 87 0 0.66 26 0.78 0.78 2.27 1.000 12_0013 10 -0.06 -0.07 0.24 0.17 0.24 0.26 21379 34 0 0.75 30 0.78 0.78 2.27 1.000 13_0014 1 -0.18 -0.48 0.50 0.18 0.48 0.50 114554 111 0 0.51 27 0.78 0.78 2.27 1.000 14_0015 9 0.12 -0.32 0.18 0.36 0.41 0.23 17170 32 0 0.73 27 0.78 0.78 2.27 1.000 15_0016 12 0.08 -0.16 0.19 0.54 0.26 0.27 29684 41 0 0.78 24 0.78 0.78 2.27 1.000 16_0017 8 0.05 -0.24 0.29 0.19 0.33 0.33 37446 47 0 0.78 28 0.78 0.78 2.27 1.000 17_0018 10 -0.05 -0.28 0.23 0.21 0.33 0.37 43419 55 0 0.70 26 0.78 0.78 2.27 1.000 18_0019 12 0.01 -0.21 0.29 0.34 0.29 0.33 78936 88 0 0.70 29 0.78 0.78 2.27 1.000 19_0020 7 0.02 -0.20 0.31 0.18 0.25 0.37 65791 64 0 0.78 26 0.78 0.78 2.27 1.000 Background pixels updated = 93.67% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.03 0.09 0.06 0.50 0.18 0.53 33965 58 0 0.74 30 0.78 0.78 2.27 1.000 21_0022 9 0.02 -0.25 0.22 0.38 0.33 0.29 36168 58 0 0.74 33 0.78 0.78 2.27 1.000 22_0023 10 0.17 -0.21 -0.04 0.68 0.34 0.65 21728 39 10 0.70 25 0.78 0.78 2.27 1.000 23_0024 9 -0.13 -0.17 0.25 0.23 0.25 0.26 20105 34 0 0.78 27 0.78 0.78 2.27 1.000 24_0025 9 -0.06 -0.26 0.30 0.17 0.34 0.33 35483 52 0 0.68 27 0.78 0.78 2.27 1.000 25_0026 12 0.06 -0.26 0.28 0.54 0.40 0.33 51067 63 8 0.66 28 0.78 0.78 2.27 1.000 26_0027 9 -0.00 -0.11 0.20 0.28 0.27 0.30 64278 69 11 0.76 27 0.78 0.78 2.27 1.000 27_0028 6 0.10 -0.03 0.18 0.49 0.20 0.24 25835 40 0 0.68 28 0.78 0.78 2.27 1.000 I/Sigma = 58.81 Thresh = 0.020 Blend = F #Contributing = 54 InitialProfileWt = 0.061 Region 1 Sum = 16067.1; Maximum = 197.62; FM = 0.509 !Region 1: Section 1->3 1 2 1 0 0 0 0 0 0 7 11 5 2 1 1 0 0 0 16 28 24 18 12 5 2 1 0 2 4 2 1 1 0 0 0 0 12 20 11 5 2 2 1 1 0 28 50 41 28 16 7 3 1 0 2 4 2 1 1 1 0 0 0 14 22 12 5 3 2 1 1 0 35 61 48 34 20 9 4 2 0 2 3 2 1 1 1 0 0 0 12 18 9 4 2 2 1 1 0 33 55 44 32 18 8 3 1 0 2 3 2 1 1 1 0 0 0 11 17 9 4 3 2 1 1 0 32 52 43 31 18 7 3 1 1 1 2 1 1 1 1 0 0 0 9 12 7 3 2 1 1 0 0 33 53 40 28 16 6 2 1 0 1 1 1 0 0 0 0 0 0 6 8 4 2 1 1 1 1 0 24 35 29 20 11 5 2 1 0 1 1 1 0 0 0 0 0 0 3 5 3 1 1 1 1 1 0 15 27 23 15 8 3 1 1 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 5 15 4 3 2 1 1 0 0 !Region 1: Section 4->6 17 39 50 55 44 23 10 3 1 8 25 39 53 50 32 15 5 1 1 5 9 15 18 14 7 3 1 32 67 75 68 48 25 10 3 1 16 41 57 62 54 35 17 6 1 2 8 14 20 23 21 13 6 1 42 90100 93 65 32 14 4 1 21 59 84 92 75 45 22 8 2 3 13 24 31 32 25 16 7 2 42 88 98 91 60 28 11 4 1 23 59 82 91 69 38 18 7 2 4 13 23 33 30 21 14 8 2 44 87 94 82 52 23 8 3 1 25 59 76 78 58 30 14 6 2 4 12 22 29 25 18 12 8 2 48 92 94 83 53 23 8 3 1 25 61 80 85 62 31 13 6 1 3 13 23 31 27 18 10 6 2 37 63 64 54 34 15 5 2 1 19 39 49 49 36 20 9 4 1 2 7 14 17 15 12 8 5 2 24 49 51 39 22 8 4 2 1 13 30 37 34 24 12 6 3 1 2 5 9 12 11 8 6 5 2 10 24 11 11 8 4 2 1 0 6 13 10 11 9 5 3 1 0 1 2 3 5 4 3 3 1 0 !Region 1: Section 7->9 0 0 1 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 1 1 3 4 5 5 4 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 6 5 2 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 1 1 3 4 5 5 6 5 2 0 0 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 4 5 6 7 6 2 0 0 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 6 5 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 4 4 2 0 0 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 4 4 2 0 0 0 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 237.21 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.053 Region 2 Sum = 270147; Maximum = 4717.83; FM = 0.739 !Region 2: Section 1->3 0 1 1 1 1 0 0 0 0 1 3 6 5 5 4 4 2 0 1 5 11 16 16 13 11 6 1 0 1 1 2 2 1 1 0 0 2 5 9 15 15 11 7 3 1 3 11 24 42 45 33 18 8 1 0 1 1 2 2 1 1 0 0 1 5 10 17 19 14 8 3 0 3 13 32 54 62 45 23 8 1 0 1 1 2 2 1 1 0 0 1 4 9 16 20 17 7 2 0 2 12 33 54 66 53 24 6 1 0 0 1 1 1 1 1 0 0 1 3 8 14 19 16 6 1 0 2 11 32 55 69 54 23 5 1 0 0 0 1 1 1 0 0 0 0 2 6 12 15 11 4 1 0 1 8 24 45 52 35 14 3 0 0 0 0 0 1 0 0 0 0 1 1 4 9 9 5 2 1 0 1 4 14 32 35 20 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 3 1 0 0 1 2 7 17 21 11 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 2 1 0 0 !Region 2: Section 4->6 1 4 11 22 25 17 12 5 1 0 1 5 13 17 11 7 3 1 0 0 1 2 4 3 3 1 0 3 12 29 53 61 42 21 7 1 1 6 14 29 39 31 16 5 1 0 1 2 6 11 13 8 3 1 3 17 44 76 91 65 30 9 1 2 9 24 46 62 49 24 7 1 0 2 4 11 19 18 11 4 1 3 18 48 79 96 72 34 8 1 2 10 28 52 66 50 25 7 1 1 2 6 15 22 18 10 4 1 2 16 48 84100 75 35 8 1 1 10 31 58 67 50 26 7 1 0 3 9 19 22 18 10 4 1 2 10 37 69 77 52 23 6 1 1 7 26 49 52 37 18 5 1 0 2 9 17 18 14 8 3 1 1 5 19 45 52 31 12 3 1 0 3 14 30 35 23 10 3 1 0 1 6 11 12 9 5 2 1 1 3 9 24 32 18 6 2 0 0 2 7 16 22 14 5 2 0 0 1 3 6 8 6 3 2 0 0 1 2 4 4 4 1 0 0 0 1 1 2 3 3 1 0 0 0 0 1 2 2 2 1 1 0 !Region 2: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 4 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 5 4 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 5 4 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 117.09 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.090 Region 3 Sum = 66432.6; Maximum = 1093.89; FM = 0.715 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 2 3 3 3 3 1 2 4 6 9 13 19 14 11 5 0 0 0 0 0 0 1 1 0 3 5 5 5 6 6 6 5 2 6 11 14 21 31 35 31 22 9 0 0 0 0 0 0 0 0 0 2 4 4 5 6 6 5 5 1 5 11 15 24 37 40 30 20 7 0 0 0 0 0 0 0 0 0 3 4 4 4 6 6 4 3 1 5 11 16 27 39 40 27 14 4 0 0 0 0 0 0 0 0 0 2 3 3 4 4 4 2 2 0 3 8 13 24 33 32 19 8 2 0 0 0 0 0 0 0 0 0 1 2 2 2 2 2 1 1 0 2 5 10 18 25 20 11 4 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 4 6 12 16 11 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 6 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 !Region 3: Section 4->6 2 5 9 15 27 44 33 24 12 1 2 5 9 21 33 28 20 9 0 0 1 2 5 8 8 5 2 4 10 18 35 64 79 71 50 20 1 4 9 23 47 62 58 41 17 0 1 2 5 11 16 15 10 4 4 11 23 49 87 96 74 48 17 1 5 14 37 70 80 62 40 15 0 1 3 9 19 23 17 10 3 4 11 28 62 95100 70 35 11 1 6 18 49 79 85 60 30 10 0 1 4 13 23 24 16 8 2 3 10 27 59 89 88 54 22 5 1 6 21 52 82 80 48 20 5 0 2 7 18 28 25 14 6 2 2 8 23 52 72 61 33 11 2 1 6 22 52 70 58 31 11 2 1 3 10 21 27 20 10 4 1 1 6 15 36 50 35 15 5 1 1 5 16 37 50 35 16 5 1 1 3 9 17 21 13 6 2 0 1 4 9 20 27 17 6 2 1 1 5 11 24 30 19 7 2 0 1 4 8 14 15 9 4 2 0 0 1 3 6 7 4 1 0 0 0 2 4 7 9 5 2 1 0 0 1 4 4 5 3 1 1 0 !Region 3: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 5 5 3 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.95 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 4 Sum = 6372.18; Maximum = 95.8106; FM = 0.617 !Region 4: Section 1->3 0 1 1 0 0 0 0 0 0 7 9 8 4 1 1 0 0 0 26 32 36 28 15 6 3 0 0 0 0 1 0 1 0 0 0 0 7 12 12 6 3 2 1 0 0 29 63 61 41 26 11 4 1 0 0 0 0 0 1 1 0 0 0 4 9 8 4 3 2 0 1 0 18 42 44 31 22 10 4 2 1 0 1 0 0 0 0 0 0 0 2 5 5 3 2 1 0 1 0 8 23 25 22 16 7 2 2 1 1 1 0 0 0 0 1 0 0 2 4 2 1 0 1 1 0 0 4 12 13 12 9 4 2 1 0 1 1 0 0 0 0 1 0 0 1 2 1 0 0 1 2 1 0 2 5 6 5 4 2 2 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 2 3 2 2 2 2 1 0 0 1 0 0 0 0 0 0 0 1 1 -1 0 1 0 1 0 0 1 2 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 26 38 52 50 35 15 8 1 1 9 20 34 37 40 23 12 3 1 2 6 11 14 22 15 7 2 0 33 86 96 84 61 33 14 4 1 15 50 71 89 72 52 23 7 1 4 15 28 44 39 33 15 4 1 24 65 81 77 58 33 11 4 1 14 47 79100 80 57 20 7 1 4 16 37 57 49 37 15 6 1 14 41 58 65 51 29 10 4 1 10 37 71100 82 55 21 8 1 4 16 38 62 55 41 19 7 1 6 24 39 48 38 20 8 2 0 5 25 56 88 73 46 21 7 1 2 12 33 61 52 37 21 8 1 3 13 22 30 27 15 7 3 1 4 18 36 66 61 39 19 8 2 2 10 24 50 46 34 20 11 2 2 8 13 18 16 11 6 3 1 3 12 25 43 42 30 15 8 1 2 7 17 33 34 28 18 10 2 2 5 6 10 9 7 4 2 1 3 7 11 24 25 22 11 6 1 1 4 8 20 23 22 13 8 2 1 2 2 3 3 3 1 1 0 2 3 4 8 9 9 6 3 0 1 2 3 6 8 9 8 4 1 !Region 4: Section 7->9 0 1 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 5 5 1 0 0 0 0 1 0 1 1 0 -1 0 0 0 1 0 1 0 0 0 0 0 1 3 6 7 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 1 0 2 4 9 10 7 6 2 0 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 -1 1 1 0 1 4 9 9 8 6 3 0 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 1 0 0 1 4 8 8 8 6 6 1 0 0 0 0 0 1 1 2 0 1 1 0 0 0 0 1 1 0 0 1 3 6 7 8 7 5 1 0 0 0 -1 0 1 2 2 0 0 0 -1 -1 -1 0 1 0 0 0 0 1 4 6 6 5 4 1 0 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 18.74 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 5 Sum = 1924.77; Maximum = 27.3912; FM = 0.494 !Region 5: Section 1->3 0 1 0 0 0 0 -1 0 0 3 5 3 1 0 -1 -2 -1 0 13 32 27 12 5 1 0 0 0 1 1 0 0 1 -1 -1 -1 0 6 11 6 2 0 0 -2 -1 -1 39 62 43 26 12 6 0 -1 -1 1 3 0 -1 0 0 3 2 0 7 11 4 2 1 1 3 3 0 34 51 35 24 12 7 2 0 0 0 2 -1 1 -1 0 2 1 0 5 9 2 2 0 0 1 1 0 24 42 30 19 12 3 0 1 1 -1 1 -1 0 1 -1 -1 0 0 2 6 0 -1 1 0 -2 -1 -1 16 32 19 12 8 3 -1 -2 0 0 1 -1 1 -1 -2 0 0 0 2 5 1 4 2 -2 0 -1 -1 10 20 11 11 8 3 0 -1 -1 -1 -2 -2 0 -1 -2 -3 -1 0 -1 -1 0 0 0 -1 -2 -3 0 5 7 8 4 4 1 0 -2 0 0 -1 -1 -2 -1 -1 -2 -1 0 0 0 0 -3 -2 -2 -3 -1 1 2 3 4 1 0 0 -1 0 1 0 0 -1 -1 0 0 -1 0 0 0 -1 -1 -2 0 -1 -1 0 0 0 0 1 -2 0 0 -1 0 0 !Region 5: Section 4->6 21 51 52 32 19 7 2 0 -1 14 34 43 41 27 13 3 0 -1 4 10 15 20 13 9 3 1 0 65 99 87 62 39 20 5 1 -1 43 71 86 70 52 32 11 6 0 11 24 36 34 28 21 11 8 1 61 93 87 66 43 24 6 2 1 53 84100 85 69 40 15 10 3 19 36 45 43 43 30 18 10 3 48 84 80 62 43 16 5 5 3 46 88 97 92 70 30 13 12 3 18 39 44 52 44 26 16 12 2 32 66 60 52 35 17 5 1 1 32 69 81 83 61 32 15 8 2 13 32 40 48 41 26 18 14 3 19 39 35 36 26 17 5 -1 -1 16 41 51 63 45 30 14 5 0 5 20 30 44 33 22 18 15 3 13 17 25 19 15 9 6 0 -1 12 20 37 37 28 20 15 6 -2 5 10 23 28 22 19 18 14 2 6 9 12 11 8 5 3 0 0 8 12 20 22 18 12 9 3 0 4 7 13 19 18 14 12 9 3 1 2 3 2 3 3 0 0 0 3 4 4 9 5 6 2 0 0 2 3 3 8 6 6 4 3 1 !Region 5: Section 7->9 0 1 1 2 0 1 0 0 0 -1 0 0 0 -1 0 -1 -1 0 -1 0 0 0 0 0 0 -1 0 0 3 4 5 3 4 4 2 1 1 0 1 2 -1 0 1 -1 0 1 -1 -1 0 0 -1 0 -1 0 2 7 3 5 10 11 10 3 1 1 1 0 0 1 2 3 -2 0 1 -1 -1 0 -1 0 1 -1 0 1 7 4 9 10 12 11 5 0 -1 2 1 0 1 3 4 0 -1 -1 -1 0 -1 -1 0 0 -1 0 2 6 4 8 10 12 14 9 1 0 3 1 0 2 3 5 3 -1 0 0 0 -1 1 1 1 1 0 0 4 7 10 9 8 11 13 3 0 2 2 0 1 3 4 4 1 0 1 0 0 0 2 1 1 0 1 1 8 8 7 9 13 10 3 1 -1 2 1 0 3 5 1 1 0 0 -1 0 0 1 1 -1 0 0 2 1 7 7 6 8 8 4 0 -1 -2 0 -1 2 1 2 3 0 -1 -2 -1 -1 1 -1 -1 1 0 1 0 3 3 2 2 4 1 0 0 -2 0 0 0 0 2 0 0 0 -1 -1 0 1 0 0 0 I/Sigma = 17.81 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 1606.48; Maximum = 29.2051; FM = 0.363 !Region 6: Section 1->3 0 -1 -1 -1 -1 -1 -1 1 1 2 1 0 0 0 -1 -2 1 1 16 19 17 13 6 5 1 0 0 0 0 0 -2 -2 1 0 2 1 6 5 3 0 -1 1 0 1 1 33 43 35 23 14 6 3 0 0 2 4 0 -1 -1 2 3 0 0 8 11 5 2 1 2 3 0 0 36 50 42 30 17 8 4 0 -1 1 1 2 0 1 1 2 1 0 6 9 6 2 3 2 3 1 0 37 60 41 25 16 11 3 2 0 0 -1 2 2 2 1 0 1 1 5 6 6 3 3 2 0 0 1 34 53 34 23 12 8 2 -1 0 0 0 -1 0 2 1 -1 1 1 4 4 1 1 3 1 0 1 1 24 33 21 17 9 5 2 0 -1 0 0 -1 0 2 4 1 2 1 2 2 -1 2 1 4 2 2 1 11 18 10 8 3 2 2 1 0 -1 -2 -2 -2 0 2 2 0 0 0 -2 -2 -2 0 1 2 0 1 4 7 3 2 2 3 1 1 1 0 -1 -2 -1 0 0 0 0 0 0 -1 -2 -1 0 0 0 0 -1 2 3 0 0 1 1 -1 0 -1 !Region 6: Section 4->6 28 42 39 29 15 14 5 0 -1 15 26 23 18 12 10 4 0 0 2 3 1 5 5 4 3 1 0 53 78 67 51 36 17 8 1 0 29 44 36 35 30 17 9 3 1 2 4 3 11 16 16 11 5 2 59 81 77 61 37 18 5 0 -1 32 45 44 40 31 20 9 4 2 4 9 8 15 20 21 18 12 6 63100 78 54 33 22 4 1 0 35 54 49 41 28 22 8 5 2 5 12 14 20 20 19 15 13 4 59 91 66 50 26 17 4 0 0 33 51 46 39 26 18 7 4 1 4 12 18 18 22 17 11 11 6 41 61 46 40 18 10 4 1 -1 23 36 34 32 18 10 6 3 0 4 7 15 15 15 10 9 6 4 18 37 26 21 10 2 1 -1 -1 11 23 22 19 10 4 5 1 0 3 4 11 11 7 7 13 7 3 9 16 9 7 6 9 1 0 1 7 11 8 8 7 8 2 1 0 3 4 5 5 5 5 6 4 3 4 5 1 1 3 4 -1 0 -1 3 3 2 3 4 4 0 0 0 1 0 2 3 3 3 1 0 2 !Region 6: Section 7->9 1 2 -1 4 3 3 3 1 -1 0 1 -1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 6 6 10 9 4 2 -1 -1 -1 2 1 2 1 1 1 0 1 0 1 1 0 -1 0 0 1 5 3 8 12 14 15 13 6 1 1 0 2 2 2 3 4 2 1 0 0 1 0 0 0 1 0 3 8 5 10 13 12 11 12 4 1 2 -1 0 2 2 2 3 1 0 0 0 -1 0 0 0 0 0 1 7 7 8 14 13 9 9 8 0 2 0 0 3 3 2 2 3 0 0 0 0 1 1 0 0 0 2 1 6 7 8 6 8 6 5 0 -2 0 0 1 3 3 2 2 -1 -1 -1 -1 1 3 0 1 0 0 -1 4 5 5 5 13 7 4 -1 -2 0 -1 0 2 4 3 2 0 0 1 -1 0 1 1 1 0 1 0 3 2 2 5 6 3 4 0 -1 1 -1 0 2 2 1 1 0 0 0 -1 0 0 1 0 0 1 -1 0 1 1 1 0 -1 2 0 0 0 0 1 0 0 -1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 29.75 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 7 Sum = 5125.48; Maximum = 82.4316; FM = 0.456 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 -1 -1 0 0 0 6 6 6 4 2 1 0 0 0 0 1 0 0 0 0 -1 -1 0 2 3 1 2 0 0 0 -1 0 13 17 13 13 7 1 1 1 0 0 1 0 1 0 0 -1 -1 0 4 3 1 2 1 0 -1 -1 0 18 25 19 16 9 3 0 0 0 0 0 1 1 1 0 0 0 -1 4 4 2 2 2 0 0 -1 -1 23 36 25 20 11 3 0 -1 -1 1 1 1 0 1 0 0 1 0 5 6 2 2 1 1 0 0 0 25 40 30 20 10 3 0 0 0 1 1 0 0 0 0 0 0 0 5 5 1 1 1 1 0 0 0 23 37 25 15 7 3 1 0 0 1 1 0 0 0 0 0 -1 0 3 3 2 0 0 0 0 -2 0 18 29 17 8 3 1 0 -1 0 0 0 1 0 0 0 0 0 0 2 2 2 0 0 0 -1 -2 0 9 16 10 4 1 0 -1 -1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 4 2 1 1 0 0 0 0 !Region 7: Section 4->6 12 17 20 20 15 7 3 2 0 7 17 24 31 24 12 7 3 0 2 6 10 14 12 7 5 3 0 24 45 47 50 34 15 8 5 0 17 47 63 74 54 28 16 9 1 5 17 28 33 27 18 12 9 2 32 64 65 63 39 18 6 3 0 21 65 84 87 58 32 15 9 1 5 23 35 39 30 21 14 9 2 44 88 79 63 39 18 5 3 1 35 89 98 80 55 32 14 7 3 10 32 40 36 28 20 12 8 3 49 97 87 62 34 15 5 3 1 40 97100 78 46 26 12 5 2 12 35 40 35 23 16 10 5 2 46 89 70 48 24 10 4 1 0 40 86 79 60 33 17 7 3 0 13 30 31 27 16 11 7 4 1 37 69 46 27 12 5 2 2 0 34 66 51 35 18 11 4 3 1 11 23 21 16 10 7 4 3 1 18 37 22 11 6 3 1 1 0 16 34 23 14 10 7 3 2 1 6 12 9 7 5 5 3 1 1 3 9 6 2 2 1 0 0 0 2 8 6 3 3 2 0 0 0 1 3 2 1 2 2 0 0 0 !Region 7: Section 7->9 0 1 1 0 1 1 2 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 4 5 6 1 0 1 1 0 1 1 1 2 0 0 0 1 0 1 1 0 0 0 0 1 1 3 4 6 8 6 2 0 0 0 0 1 2 2 2 1 0 0 0 0 1 1 0 0 0 0 1 1 4 4 4 5 4 2 -1 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 1 2 2 3 4 3 2 0 0 1 0 -1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 2 1 2 2 3 3 3 2 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 2 1 3 2 2 3 2 0 0 1 0 1 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 54.45 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 8 Sum = 13937.7; Maximum = 231.908; FM = 0.5 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 4 6 5 2 2 0 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 0 5 12 14 12 8 4 1 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 1 0 0 6 16 20 15 10 5 2 1 0 0 1 0 0 0 0 0 0 0 2 5 2 1 1 1 0 1 0 8 23 25 18 12 5 1 1 0 1 1 0 0 0 0 0 0 0 2 6 3 2 1 1 0 1 0 11 29 31 22 12 4 1 1 0 1 2 0 1 1 0 0 0 0 3 7 4 2 1 1 0 0 0 13 35 34 22 11 4 1 0 0 0 1 0 0 0 0 0 0 0 3 7 3 1 1 1 0 0 0 14 35 32 19 9 3 1 0 0 1 1 1 1 0 0 0 0 0 3 6 3 2 1 1 0 0 0 13 32 27 13 6 2 0 0 0 0 1 0 0 0 0 0 0 0 1 3 1 0 0 1 0 0 0 5 13 11 6 2 1 0 0 0 !Region 8: Section 4->6 4 9 25 18 12 8 3 1 0 3 9 27 19 17 11 6 2 0 1 2 8 7 9 7 4 1 0 11 31 49 46 32 17 7 1 0 9 28 49 53 42 26 12 3 1 2 7 14 19 20 15 9 4 1 14 42 63 58 40 20 7 2 0 11 37 61 66 50 27 12 4 1 3 9 17 25 23 15 9 4 1 19 56 78 68 46 20 6 1 0 15 47 75 76 55 26 9 3 0 3 11 22 29 23 13 7 3 1 23 70 93 76 45 17 5 1 0 18 58 86 81 51 22 7 2 1 4 13 24 29 21 11 5 2 1 28 81100 74 40 14 4 1 0 21 66 90 76 44 17 6 2 1 4 15 24 25 16 8 4 2 1 31 81 94 63 32 11 3 1 0 24 66 84 61 34 12 4 1 1 5 15 22 19 12 5 3 1 1 29 74 77 44 21 6 2 0 0 22 59 66 42 22 7 2 0 0 4 13 15 11 7 3 2 0 0 11 34 31 20 7 2 1 0 0 9 30 24 18 8 3 1 0 0 2 7 4 4 2 1 1 0 0 !Region 8: Section 7->9 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 2 4 4 4 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 4 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 4 3 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 158.24 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.079 Region 9 Sum = 129557; Maximum = 2138.64; FM = 0.685 !Region 9: Section 1->3 0 1 1 0 0 0 0 0 0 1 5 5 3 1 0 0 0 0 3 11 14 11 6 2 1 0 0 1 2 1 1 0 0 0 0 0 3 10 9 6 3 1 0 0 0 7 27 34 32 19 7 2 1 0 1 2 2 1 0 0 0 0 0 3 11 11 8 5 2 1 0 0 8 30 45 49 36 16 4 1 0 1 2 2 1 0 0 0 0 0 3 10 12 11 7 4 1 0 0 8 29 50 64 52 28 9 2 0 0 1 1 1 1 0 0 0 0 2 8 10 11 8 4 2 1 0 6 24 45 61 57 35 14 4 1 0 1 1 1 1 0 0 0 0 1 6 8 9 8 4 2 1 0 5 19 37 54 54 35 16 4 1 0 1 1 1 1 0 0 0 0 2 6 8 10 8 5 2 1 0 5 18 35 51 47 32 14 3 1 0 0 1 1 0 0 0 0 0 1 4 6 7 6 4 2 1 0 4 13 26 38 36 25 11 3 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 2 1 0 0 2 6 12 13 12 10 3 1 0 !Region 9: Section 4->6 3 11 16 14 8 3 1 0 0 1 5 8 9 6 3 1 1 0 0 1 4 6 4 3 2 1 0 9 32 47 47 29 11 3 1 0 5 15 24 27 19 10 4 2 1 1 3 7 12 12 9 6 3 1 12 40 67 77 58 26 7 2 0 8 24 37 45 36 19 7 3 1 3 7 10 16 17 13 8 4 1 12 41 75100 87 48 16 3 1 9 28 46 59 52 31 13 4 1 3 9 13 19 20 15 10 6 2 9 33 68 98 94 60 25 6 1 6 22 44 62 57 36 17 6 1 2 8 14 20 20 14 10 6 2 6 24 53 84 87 58 27 7 1 3 13 32 52 53 34 17 6 1 1 4 10 17 19 13 9 5 2 5 19 44 69 70 48 22 5 1 2 8 20 35 39 27 13 4 1 0 1 4 9 13 10 7 4 2 4 15 34 51 51 36 15 4 1 2 6 13 21 24 18 8 3 1 0 1 2 3 6 7 5 3 1 2 7 14 16 16 13 4 2 0 1 3 6 7 7 6 2 1 0 0 0 1 1 1 2 1 1 0 !Region 9: Section 7->9 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 4 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 5 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 6 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 4 4 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (203 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 203 0 203 8.6708 0.8750 10.202 123.536 Orientation ('UB') matrix: 0.1443516 0.0358437 -0.0035469 0.0304183 -0.0025943 0.0775105 0.0659386 -0.0772717 -0.0042476 A B C Alpha Beta Gamma Vol 6.2373 11.7344 12.9699 90.000 97.163 90.000 941.87 0.0004 0.0007 0.0016 0.000 0.008 0.000 0.21 Corrected for goodness of fit: 0.0017 0.0031 0.0066 0.000 0.032 0.000 0.88 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.159 96.106 24.230 Goniometer zeros (deg): 0.0000* -0.0139 0.0000* 0.0181 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.8525 -0.2905 0.0821 -0.3037 -0.2466 0.7854 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.88319e+04 9.65550e+03 4.14 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 203 203 173 Average input ESD (pix, pix, deg): 0.18075 0.13649 0.05554 Goodness of fit: 4.97817 4.25330 2.34624 Average missing volume: 0.044 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:22:45 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 = 92.37% 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 19 0.78 0.78 2.27 1.000 2_0003 4 0.05 -0.08 0.42 0.24 0.09 0.69 27845 46 0 0.45 24 0.78 0.78 2.27 1.000 3_0004 14 0.07 -0.16 0.04 0.24 0.25 0.10 38613 49 0 0.51 25 0.78 0.78 2.27 1.000 4_0005 9 -0.01 -0.12 0.11 0.20 0.13 0.25 91570 106 0 0.67 28 0.78 0.78 2.27 1.000 5_0006 3 -0.06 -0.12 0.10 0.10 0.15 0.14 34059 54 0 0.68 29 0.78 0.78 2.27 1.000 6_0007 10 -0.03 -0.13 0.10 0.13 0.16 0.19 46444 65 0 0.66 27 0.78 0.78 2.27 1.000 7_0008 2 -0.10 -0.08 0.18 0.19 0.08 0.18 134181 114 0 0.63 27 0.78 0.78 2.27 1.000 8_0009 17 0.11 -0.03 0.04 0.38 0.20 0.08 48146 61 0 0.72 29 0.78 0.78 2.27 1.000 9_0010 10 0.21 -0.06 0.00 0.56 0.16 0.13 52412 60 0 0.62 27 0.78 0.78 2.27 1.000 10_0011 10 -0.10 -0.09 0.06 0.13 0.11 0.11 166997 134 0 0.77 32 0.78 0.78 2.27 1.000 11_0012 8 -0.04 -0.08 0.06 0.10 0.11 0.10 30467 65 0 0.64 28 0.78 0.78 2.27 1.000 12_0013 10 -0.02 -0.09 0.04 0.38 0.18 0.08 71547 60 0 0.77 28 0.78 0.78 2.27 1.000 13_0014 4 -0.07 -0.00 0.16 0.13 0.11 0.16 36013 43 0 0.80 30 0.78 0.78 2.27 1.000 14_0015 7 -0.04 -0.10 0.12 0.11 0.12 0.28 29959 47 0 0.73 25 0.78 0.78 2.27 1.000 15_0016 11 0.20 -0.04 -0.05 0.49 0.11 0.18 37497 45 0 0.76 28 0.78 0.78 2.27 1.000 16_0017 11 -0.07 -0.04 0.03 0.19 0.12 0.12 33971 44 0 0.75 28 0.78 0.78 2.27 1.000 17_0018 7 0.04 -0.06 -0.06 0.10 0.10 0.16 63115 66 0 0.75 28 0.78 0.78 2.27 1.000 18_0019 12 -0.01 -0.11 0.01 0.33 0.17 0.08 36951 60 0 0.69 26 0.78 0.78 2.27 1.000 19_0020 9 0.05 -0.04 -0.03 0.12 0.06 0.15 85688 86 0 0.74 26 0.78 0.78 2.27 1.000 Background pixels updated = 93.66% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 -0.01 -0.04 0.06 0.19 0.16 0.10 68652 64 0 0.80 32 0.78 0.78 2.27 1.000 21_0022 9 0.09 -0.05 0.17 0.19 0.13 0.43 31725 56 0 0.67 27 0.78 0.78 2.27 1.000 22_0023 9 0.22 -0.04 0.04 0.42 0.23 0.24 26344 44 11 0.67 32 0.78 0.78 2.27 1.000 23_0024 11 -0.03 -0.04 0.03 0.17 0.10 0.23 34448 53 0 0.75 27 0.78 0.78 2.27 1.000 24_0025 6 -0.02 0.01 -0.09 0.18 0.11 0.21 40112 53 0 0.70 26 0.78 0.78 2.27 1.000 25_0026 11 0.32 -0.17 -0.01 0.74 0.50 0.14 24597 42 0 0.64 25 0.78 0.78 2.27 1.000 26_0027 11 0.07 -0.07 0.05 0.16 0.11 0.20 84490 88 9 0.75 26 0.78 0.78 2.27 1.000 I/Sigma = 80.54 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.046 Region 1 Sum = 25610.3; Maximum = 336.462; FM = 0.702 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 5 11 7 5 3 1 1 1 0 0 1 0 0 0 0 0 0 0 3 7 5 3 1 1 1 0 0 11 24 22 16 9 4 2 1 0 0 1 0 0 0 0 0 0 0 3 6 4 3 1 1 0 0 0 11 25 23 16 8 4 2 1 0 0 1 0 0 0 0 0 0 0 3 6 4 3 1 1 1 0 0 11 26 22 16 9 5 2 1 0 0 1 0 0 0 0 0 0 0 4 8 5 3 2 1 1 0 0 14 29 24 18 10 5 2 1 0 0 1 0 0 0 0 0 0 0 3 6 4 2 1 1 1 0 0 11 25 20 14 8 4 2 1 0 0 0 0 0 0 0 0 0 0 3 5 3 2 1 1 1 0 0 8 19 15 11 6 3 2 1 0 0 1 0 0 0 0 0 0 0 2 4 2 1 1 1 0 0 0 6 13 12 9 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 4 3 2 1 1 0 0 0 !Region 1: Section 4->6 7 18 13 11 10 5 4 3 1 4 12 12 13 17 15 12 9 3 1 3 5 7 13 16 14 10 3 14 42 57 59 42 23 11 5 1 8 35 61 76 65 44 27 14 4 2 10 21 31 33 30 25 17 5 16 46 55 50 36 21 11 5 1 10 37 55 64 59 45 29 16 4 2 11 20 30 36 35 29 21 6 15 44 53 54 44 30 15 6 1 9 34 56 75 75 60 36 17 5 2 11 22 37 46 44 34 23 7 18 51 68 74 53 29 13 5 1 11 43 78100 85 56 31 14 4 3 14 29 44 47 41 30 19 6 18 56 64 58 41 24 12 5 1 14 55 79 87 77 56 32 15 4 4 19 33 46 52 48 34 19 6 12 42 50 48 36 24 13 5 1 10 42 62 72 65 50 29 12 3 3 15 26 36 42 40 28 15 5 10 36 51 55 39 19 7 3 1 10 41 66 80 65 38 19 8 2 3 14 26 36 37 30 22 12 4 2 7 9 8 6 5 3 1 0 1 7 13 17 15 13 8 4 1 0 3 7 11 13 12 8 6 2 !Region 1: Section 7->9 0 0 1 1 3 5 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 8 11 10 4 0 1 1 1 1 2 3 4 2 0 0 0 0 0 0 1 1 0 0 1 2 4 7 10 12 12 5 0 0 1 1 1 2 3 4 2 0 0 0 0 0 0 1 1 0 0 1 2 5 9 12 14 15 7 0 0 1 1 1 2 3 6 3 0 0 0 0 0 0 1 1 1 0 1 2 5 9 13 15 13 6 0 0 1 1 1 2 5 5 3 0 0 0 0 0 0 1 1 0 0 2 3 7 12 16 15 12 5 0 0 1 1 1 2 3 4 2 0 0 0 0 0 0 1 1 0 0 1 2 5 9 13 13 11 5 0 1 1 1 1 2 4 5 3 0 0 0 0 0 0 1 1 1 0 1 2 4 8 11 12 9 4 0 0 0 1 1 3 4 4 2 0 0 0 0 0 1 1 1 1 0 0 1 2 4 4 3 3 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 267.66 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.069 Region 2 Sum = 298695; Maximum = 4837.55; FM = 0.893 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 2 5 7 8 5 3 2 0 0 0 0 0 0 0 0 0 0 0 2 4 5 5 4 2 1 0 1 5 12 19 20 15 7 3 0 0 0 0 0 0 0 0 0 0 0 2 3 5 5 4 2 1 0 1 5 12 19 22 17 8 2 0 0 0 0 0 0 0 0 0 0 0 1 4 5 6 5 2 1 0 1 5 14 23 27 21 9 2 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 2 1 0 0 4 11 20 24 18 7 2 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 3 1 0 0 0 3 9 17 19 13 5 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 3 9 18 18 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 7 6 3 1 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 !Region 2: Section 4->6 0 3 8 17 22 14 7 2 0 0 3 10 24 32 21 8 2 0 0 1 5 13 18 13 6 2 0 1 7 19 36 43 32 15 5 1 1 7 21 45 61 47 23 7 1 1 4 12 31 49 43 23 8 1 1 9 24 45 56 44 19 5 1 1 10 30 63 81 65 29 8 1 1 6 18 41 56 48 25 8 1 1 10 32 57 69 56 27 6 1 1 12 42 81100 85 43 11 1 1 7 27 55 72 63 35 11 2 1 8 27 49 57 45 22 5 1 1 11 38 71 84 72 38 9 1 1 7 28 56 71 61 34 10 2 1 7 24 44 51 38 16 4 1 1 8 31 63 76 62 29 8 1 0 5 22 46 58 47 24 7 1 1 6 21 40 42 26 10 2 0 1 7 23 51 61 43 18 5 1 0 4 16 37 49 38 18 6 1 1 3 9 16 17 10 4 1 0 0 3 10 22 29 20 7 2 0 0 2 7 18 27 20 9 3 1 0 2 5 10 10 5 1 0 0 0 1 5 11 15 9 3 1 0 0 1 3 7 12 8 3 1 0 !Region 2: Section 7->9 0 0 1 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 1 3 10 20 20 12 5 1 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 12 18 17 11 4 1 0 0 1 2 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 17 25 22 14 6 1 0 0 1 3 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 2 10 22 31 27 16 6 1 0 0 2 5 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 2 8 17 21 18 11 5 1 0 0 2 4 5 4 3 2 0 0 0 0 0 0 0 0 0 0 0 2 7 15 21 18 11 4 1 0 0 2 3 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 1 4 8 14 12 7 3 1 0 0 1 2 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 161.65 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.079 Region 3 Sum = 107472; Maximum = 1972.07; FM = 0.831 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 3 2 0 1 3 5 7 8 9 7 4 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 2 1 0 1 3 5 7 9 9 7 4 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 0 2 5 6 8 9 8 6 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 1 3 5 7 9 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 1 3 4 6 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 !Region 3: Section 4->6 0 1 2 4 11 16 12 9 2 0 1 2 5 16 24 20 16 4 0 0 1 2 7 11 10 8 2 1 4 9 18 31 41 33 19 4 1 3 8 22 47 67 56 32 7 0 1 3 9 22 33 29 16 3 1 5 13 29 44 49 37 20 4 1 4 16 43 72 84 64 34 7 0 2 7 19 34 43 34 18 4 3 9 20 39 54 51 33 16 3 1 8 28 64 93 89 60 29 6 1 3 12 30 47 47 32 16 3 2 9 25 44 56 50 26 10 2 2 12 40 75100 89 50 20 4 1 5 19 39 54 48 29 13 2 2 10 25 42 49 39 17 5 1 2 14 43 76 91 74 35 11 2 1 7 23 42 51 41 21 8 1 2 9 21 34 36 24 10 3 1 2 12 36 63 69 48 21 6 1 1 7 21 37 41 30 14 5 1 1 5 13 24 22 12 5 1 0 2 8 24 48 46 27 11 3 1 1 6 17 31 31 20 9 3 1 0 2 5 5 7 4 1 0 0 0 2 10 11 15 8 3 1 0 0 2 8 9 11 5 2 1 0 !Region 3: Section 7->9 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 5 3 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 8 5 3 1 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 11 9 6 3 1 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 6 10 11 8 4 2 0 0 1 2 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 11 11 7 4 2 0 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 4 8 11 11 7 4 2 1 0 1 3 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 5 4 2 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 39.23 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.263 Region 4 Sum = 8707.85; Maximum = 111.459; FM = 0.663 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 1 1 0 2 16 24 18 12 6 2 1 0 0 0 1 0 0 0 0 0 0 2 6 6 4 3 1 1 0 0 12 44 49 41 26 12 4 2 1 0 1 1 1 0 0 0 1 1 2 7 6 5 3 1 0 1 1 15 43 46 39 25 12 4 2 0 0 1 0 0 0 0 0 0 0 2 5 3 3 2 2 1 0 0 10 32 34 31 20 11 4 2 0 0 0 0 0 0 0 0 0 0 1 4 3 1 2 1 0 0 0 7 21 23 23 16 9 4 1 0 0 0 1 1 0 0 0 0 0 1 3 2 2 1 1 0 0 0 4 12 15 15 12 7 4 1 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 0 1 0 0 1 5 8 8 7 5 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 2 4 4 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 !Region 4: Section 4->6 4 32 46 38 30 17 6 2 1 2 20 30 30 33 25 13 6 1 0 3 6 10 18 18 13 6 2 20 82100 90 63 34 14 6 1 11 48 65 70 63 52 30 18 4 2 8 12 22 32 40 30 19 4 23 77 92 89 63 35 14 6 1 12 46 62 73 67 55 32 20 5 2 8 14 25 35 44 33 22 5 17 59 76 77 55 35 15 6 1 9 38 57 72 67 61 35 19 5 2 9 16 31 42 52 36 22 5 11 39 55 61 47 33 15 7 1 7 27 48 67 69 66 39 23 4 2 8 18 38 54 61 43 27 5 6 23 36 41 38 27 14 6 1 4 20 35 58 69 65 39 21 3 1 8 16 43 63 69 45 25 4 2 10 18 23 25 21 10 4 0 2 11 21 40 58 62 37 19 3 1 6 12 36 62 72 48 26 5 2 6 9 13 14 11 6 3 0 1 6 12 28 42 46 27 14 2 1 3 8 29 51 61 38 21 4 1 2 3 3 4 3 2 1 0 1 2 4 9 16 22 12 2 0 0 1 4 11 23 34 18 4 1 !Region 4: Section 7->9 0 0 1 2 5 5 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 12 10 5 1 0 0 0 1 0 0 0 -1 0 0 0 0 1 0 0 0 0 0 0 1 2 6 9 14 12 7 1 0 0 0 2 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 1 3 8 12 17 14 8 1 0 -1 0 2 0 1 1 1 0 0 0 0 1 0 1 1 1 0 0 2 3 10 18 21 17 9 2 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 1 0 0 0 2 4 13 23 27 19 10 2 0 0 1 1 1 3 2 1 0 0 0 0 0 0 1 0 0 0 0 2 4 13 25 29 22 13 3 0 0 1 1 2 3 3 2 1 0 0 0 0 0 1 1 0 0 0 1 3 11 22 27 18 11 2 0 1 1 0 2 3 2 2 1 0 1 0 0 0 0 0 1 0 0 0 1 5 11 16 9 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 24.62 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 5 Sum = 2968.91; Maximum = 33.7578; FM = 0.693 !Region 5: Section 1->3 0 0 0 0 0 0 1 1 0 0 1 2 2 1 1 1 1 0 1 11 18 13 7 5 3 1 0 0 0 0 0 0 0 1 1 0 1 9 7 3 1 1 1 2 0 7 43 42 31 19 11 6 3 1 0 0 0 1 0 1 1 0 0 2 10 7 4 1 1 1 0 0 9 49 47 32 20 10 5 1 0 0 0 1 1 0 0 1 0 0 1 7 7 5 3 1 1 -1 0 8 42 45 31 20 12 5 3 0 0 1 1 1 0 0 2 0 0 1 6 6 5 2 1 1 0 0 7 37 35 26 16 10 5 3 0 0 1 0 0 -1 0 0 0 0 1 6 3 3 0 0 0 0 0 5 29 24 19 11 7 4 2 0 0 1 0 1 0 0 -1 0 0 1 5 2 2 1 0 0 0 0 4 18 16 13 8 4 3 1 0 1 2 0 -1 -2 -1 -1 -1 0 1 5 2 0 -1 1 1 -1 0 1 10 8 7 4 5 5 1 0 0 1 0 -1 -1 0 0 -1 0 0 1 0 -1 -1 0 0 -1 0 0 2 2 1 2 1 1 0 0 !Region 5: Section 4->6 2 21 40 33 19 16 9 5 0 1 14 29 32 24 25 16 12 1 0 3 7 11 14 16 12 9 1 16 72 86 80 55 34 22 9 1 11 46 68 79 65 53 43 22 2 1 8 19 30 33 37 33 20 2 15 85 97 80 60 37 22 9 1 9 57 79 77 74 59 41 23 2 1 12 25 30 41 42 33 23 3 13 79100 79 57 43 24 14 1 8 57 90 84 78 68 45 30 3 1 14 32 37 48 48 38 27 3 12 70 81 66 52 40 24 13 1 8 53 82 80 84 72 54 32 3 1 15 36 47 58 58 51 34 4 10 56 55 51 44 33 22 9 1 7 44 61 70 77 69 52 23 2 1 12 32 45 57 59 52 27 3 6 35 38 38 31 23 18 9 1 4 29 47 52 60 55 45 24 3 0 10 27 34 48 51 47 27 3 3 16 18 22 18 17 13 6 1 2 15 23 32 35 40 31 16 1 0 5 13 20 29 43 36 18 1 1 4 5 5 7 5 3 1 0 1 4 6 6 12 14 9 1 0 0 1 3 4 10 15 10 3 0 !Region 5: Section 7->9 0 0 2 2 3 5 4 2 0 0 0 1 0 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 1 3 7 8 11 8 7 1 0 -1 0 2 1 1 0 0 0 0 -2 0 0 -1 -1 0 0 0 0 2 6 8 11 13 9 10 2 0 0 0 2 2 3 -1 1 1 0 -1 -1 0 0 1 -1 0 0 0 3 6 10 14 15 15 11 2 0 2 1 2 3 3 1 2 1 0 1 1 0 1 1 -1 0 0 0 2 9 17 17 20 22 18 3 0 1 2 5 3 2 5 6 1 0 1 0 1 1 -1 0 2 0 0 2 10 15 16 21 24 17 3 0 0 3 4 2 3 5 7 2 0 -1 0 0 -1 1 1 2 1 0 2 8 13 15 19 23 17 3 0 -1 2 6 3 4 6 6 1 0 -1 1 2 0 1 2 2 0 0 1 4 7 11 21 19 11 1 0 2 2 2 3 4 3 5 0 0 1 1 0 0 0 0 2 0 0 0 1 1 6 8 5 3 0 0 1 1 0 3 2 1 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 24.01 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 2613.27; Maximum = 33.5686; FM = 0.604 !Region 6: Section 1->3 0 0 1 0 0 0 -1 0 0 0 1 1 1 0 0 -1 1 0 2 8 6 7 3 2 1 1 0 0 0 -1 0 1 0 0 1 0 0 2 1 1 1 0 0 1 0 5 23 19 15 9 6 3 2 0 0 2 2 1 1 1 1 1 0 1 5 4 2 2 1 0 1 0 6 26 26 19 12 9 3 2 0 0 3 1 2 3 0 0 0 0 1 6 4 5 5 0 0 2 0 6 30 29 23 16 10 5 2 0 0 1 -1 0 2 0 1 1 0 1 4 1 2 3 2 2 2 0 7 29 28 23 16 9 5 4 0 0 1 0 0 1 2 1 1 0 1 4 1 0 2 4 2 2 0 6 26 22 20 11 8 4 3 1 0 1 1 1 1 1 1 0 0 0 2 2 2 0 1 1 1 0 4 16 16 13 5 4 3 2 0 0 2 1 0 0 1 1 2 0 0 2 2 1 1 1 3 4 0 2 8 8 6 2 1 1 1 0 0 2 0 -1 0 0 0 1 0 0 2 3 -1 0 1 0 2 0 0 2 3 1 0 1 1 0 0 !Region 6: Section 4->6 4 30 32 30 18 14 8 5 0 3 30 37 33 21 18 10 7 0 1 8 12 10 7 7 4 4 0 11 71 71 63 45 32 22 12 1 8 66 74 67 52 38 30 18 1 2 18 22 22 19 16 17 12 1 13 79 90 70 50 42 26 15 1 9 73 91 72 53 48 35 22 2 2 19 26 22 16 18 21 18 3 13 89 97 74 57 48 31 15 2 10 82 95 73 60 55 40 22 3 2 21 27 23 21 23 23 20 4 15 88100 84 62 44 25 18 2 10 80100 83 66 55 34 24 4 2 20 29 27 26 28 24 20 3 14 82 85 79 48 41 21 16 2 11 77 88 82 56 53 30 22 3 2 19 25 26 26 27 23 19 3 9 54 63 53 32 29 16 8 1 7 54 68 57 40 40 23 12 2 1 16 22 19 20 23 17 11 2 5 32 31 28 19 16 9 2 0 4 35 34 32 27 26 15 5 1 1 11 13 12 14 17 10 5 1 1 6 11 10 6 5 5 2 1 1 7 12 12 8 8 8 5 1 0 2 5 6 4 5 5 4 1 !Region 6: Section 7->9 0 0 1 1 2 2 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 4 3 5 9 8 1 0 0 1 2 0 2 4 2 0 0 0 0 0 0 1 1 0 0 0 0 1 2 1 5 11 14 3 0 -1 0 -1 -1 3 3 4 1 0 -1 1 0 0 2 1 0 0 0 3 3 6 6 10 14 17 3 0 2 1 2 1 4 4 6 1 0 0 1 0 0 1 1 0 0 0 1 4 10 9 14 16 17 3 0 0 2 5 2 5 6 6 1 0 0 1 1 -1 0 1 1 0 0 0 2 7 11 12 18 17 2 0 -1 1 4 3 3 7 8 1 0 -1 1 0 0 0 2 1 0 0 2 4 4 8 12 12 9 2 0 0 1 1 1 3 5 3 0 0 0 -1 -1 -1 0 3 1 0 0 2 3 2 5 9 7 5 1 0 1 0 -1 0 2 3 2 0 0 0 0 0 0 -1 1 1 0 0 0 1 3 2 4 3 2 0 0 -1 0 1 0 1 1 1 0 0 -1 0 0 0 0 0 0 0 I/Sigma = 38.89 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 7 Sum = 7388.64; Maximum = 92.9281; FM = 0.691 !Region 7: Section 1->3 0 0 0 -1 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 7 6 3 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 5 3 1 1 1 0 0 0 3 23 19 9 9 7 3 1 0 0 0 1 1 0 0 1 1 0 1 7 5 2 1 1 1 1 0 5 31 27 14 10 7 4 1 0 0 0 0 0 0 1 1 1 0 2 8 4 2 2 2 2 1 0 6 37 30 18 14 9 4 2 0 0 0 0 1 0 1 0 0 0 2 9 5 3 1 2 1 1 0 7 42 33 20 14 9 4 3 0 0 1 1 1 0 0 1 0 0 1 8 4 3 1 1 1 1 0 7 38 30 19 12 7 3 2 0 0 1 0 0 0 0 1 0 0 1 7 3 2 1 1 1 0 0 6 32 22 14 8 4 2 1 0 0 1 0 1 0 0 0 0 0 1 4 2 2 1 1 0 0 0 3 17 14 9 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 3 4 2 2 1 0 0 0 !Region 7: Section 4->6 2 13 16 14 13 9 4 1 0 2 12 16 20 23 19 10 1 0 0 4 7 12 18 17 10 1 0 6 47 50 36 32 26 14 4 0 5 39 51 50 56 53 35 11 1 1 11 20 29 43 47 37 14 1 10 66 70 48 41 32 16 5 0 8 56 70 68 72 64 38 16 1 2 16 26 42 55 56 40 21 2 13 82 83 63 52 34 17 6 1 11 73 89 88 85 64 39 18 1 3 23 37 53 62 53 39 21 2 15 94 92 68 52 32 14 6 1 13 84100 93 83 57 34 16 1 3 27 44 55 61 48 33 19 2 15 90 86 59 43 25 11 4 1 13 82 95 79 70 48 26 10 1 4 27 41 47 52 43 26 13 2 13 74 64 46 30 15 7 2 0 11 66 69 61 49 30 16 6 0 3 21 31 36 38 27 17 9 1 6 38 37 27 18 9 4 1 0 4 32 40 36 28 16 11 5 0 1 9 19 22 21 14 12 6 1 1 7 11 7 5 2 2 1 0 1 6 10 10 7 3 4 2 0 0 2 4 7 5 3 4 3 0 !Region 7: Section 7->9 0 1 2 3 5 6 4 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 12 16 16 9 1 0 1 1 2 2 2 3 3 0 0 0 0 1 0 1 1 0 0 0 2 4 10 17 19 17 12 2 0 1 1 1 2 3 4 3 1 0 0 1 0 0 1 1 0 0 0 3 6 13 17 18 16 12 2 0 0 0 0 1 3 3 4 1 0 0 1 0 0 1 0 0 0 0 4 8 13 18 17 14 10 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 5 7 11 15 14 12 9 2 0 1 1 1 0 1 2 3 1 0 0 0 0 0 0 0 0 0 1 3 6 9 12 10 8 6 2 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 1 0 0 2 5 6 7 6 6 5 1 0 1 1 1 1 1 2 2 0 0 0 0 0 1 0 0 1 0 0 0 1 2 2 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 47.79 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.263 Region 8 Sum = 12425.4; Maximum = 179.148; FM = 0.764 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 1 0 0 4 10 7 5 4 2 1 1 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 1 0 0 6 14 10 6 4 3 1 1 0 0 0 0 0 0 0 0 0 0 3 4 2 1 1 0 1 0 0 7 18 13 9 5 3 1 1 0 0 0 0 0 0 0 0 0 0 2 5 3 1 1 1 1 0 0 7 20 15 11 7 3 2 1 0 0 0 0 0 0 0 0 0 0 2 5 4 1 1 0 1 1 0 8 24 17 12 6 3 2 1 0 0 0 0 0 0 0 0 0 0 3 6 3 1 1 1 1 0 0 10 25 17 11 5 2 2 1 0 0 0 0 0 0 0 0 0 0 4 6 4 1 1 1 1 0 0 9 20 16 9 4 2 1 1 0 0 0 0 0 0 0 0 0 0 2 2 2 1 1 0 0 0 0 3 5 5 3 2 0 0 0 0 !Region 8: Section 4->6 2 7 8 10 10 7 4 1 0 1 6 11 19 24 21 15 3 1 1 3 6 11 20 21 17 4 1 5 18 21 28 27 18 10 4 0 4 16 30 53 62 52 35 15 2 1 6 16 33 48 51 38 18 2 7 26 29 37 34 23 12 4 1 4 23 40 69 75 62 38 15 2 1 9 20 42 59 59 39 18 2 9 34 40 49 40 25 11 4 1 6 31 54 86 87 68 37 14 2 2 11 26 52 67 63 39 17 2 10 40 49 57 43 24 10 3 1 7 37 66 96 90 64 32 12 1 2 13 32 58 70 58 33 14 2 12 50 54 59 40 21 9 3 0 9 45 71100 86 57 26 9 1 3 14 34 61 66 51 26 10 1 14 52 53 52 31 15 6 2 0 10 50 70 88 68 40 18 6 1 3 17 34 54 52 35 19 7 1 9 36 44 39 20 9 4 1 0 6 37 58 67 45 25 11 4 1 2 14 29 42 34 22 11 4 1 2 7 14 14 6 2 1 1 0 1 8 21 26 14 7 3 2 0 1 3 12 17 10 7 3 2 0 !Region 8: Section 7->9 0 1 1 2 5 7 6 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 12 16 14 8 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 7 15 19 14 8 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 9 17 19 13 7 1 0 1 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 4 11 17 17 11 6 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 11 16 14 9 5 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 10 12 9 6 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 7 6 3 2 1 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 172.40 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.069 Region 9 Sum = 152349; Maximum = 2810.19; FM = 0.891 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 3 1 1 0 0 0 0 4 9 10 9 7 3 1 0 0 0 0 0 0 0 0 0 0 0 2 4 4 2 1 1 0 0 0 4 10 14 14 13 8 3 1 0 0 0 0 0 0 0 0 0 0 2 4 4 3 2 1 1 0 0 3 10 14 17 18 13 7 2 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 1 0 0 2 6 11 15 17 13 8 3 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 0 0 2 4 7 11 13 11 7 3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 4 6 8 9 8 5 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 4 6 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 2 3 2 2 1 0 0 !Region 9: Section 4->6 1 5 9 13 10 4 1 0 0 1 5 11 16 14 6 2 1 0 0 2 5 7 7 4 2 1 0 5 17 29 37 31 15 4 1 0 4 17 32 44 38 19 6 2 0 1 6 12 19 18 12 6 3 1 5 21 39 54 56 35 12 2 0 5 23 45 65 68 43 15 3 1 2 12 20 28 30 21 10 4 1 5 21 42 64 76 58 25 7 1 5 25 52 79 94 70 30 8 1 2 15 27 37 42 32 16 6 1 3 14 33 60 76 63 35 12 1 3 18 45 82100 79 42 14 2 1 10 26 43 49 36 20 8 2 2 9 22 45 61 52 33 14 2 2 10 30 63 85 69 40 16 2 1 5 16 34 45 35 18 8 2 2 8 18 34 44 38 24 9 1 2 7 21 43 60 53 30 10 1 0 2 8 19 31 27 14 5 1 1 5 13 23 29 24 13 4 1 1 5 15 28 38 32 16 5 1 0 2 5 10 16 15 8 3 1 1 3 6 10 10 8 3 1 0 1 2 7 13 14 10 4 1 0 0 1 2 4 5 4 2 1 0 !Region 9: Section 7->9 0 0 2 2 2 3 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 8 8 6 4 1 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 3 4 8 10 10 7 4 1 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 1 4 6 9 12 11 9 5 2 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 2 6 10 13 11 8 5 2 0 0 0 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 7 11 10 6 4 1 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 8 5 3 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (208 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) 208 0 208 8.6781 0.8750 10.193 123.549 Orientation ('UB') matrix: 0.1443128 0.0358554 -0.0035392 0.0301421 -0.0026331 0.0773781 0.0659542 -0.0772510 -0.0042801 A B C Alpha Beta Gamma Vol 6.2389 11.7361 12.9888 90.000 97.057 90.000 943.84 0.0004 0.0007 0.0015 0.000 0.007 0.000 0.20 Corrected for goodness of fit: 0.0012 0.0023 0.0050 0.000 0.024 0.000 0.66 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.060 96.093 24.248 Goniometer zeros (deg): 0.0000* 0.0554 0.0000* 0.0119 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0077 -0.3663 0.0779 -0.2726 -0.2465 0.8076 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 8.16112e+03 6.38994e+03 3.31 11 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 208 208 182 Average input ESD (pix, pix, deg): 0.15017 0.11804 0.05039 Goodness of fit: 4.01201 3.26670 2.12559 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.274 2.594 2.103 Average missing volume: 0.043 % with too much missing I: 2.128 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 10:22:46 Current XYZ spot size: 2.274 2.594 2.103 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): 0.318 0.300 0.313 Profile convolver halfwidth: 1.00 1.00 1.87 Background pixels updated = 91.92% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.92 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 2.92 1.000 2_0003 3 -0.10 -0.13 0.11 0.13 0.17 0.11 49753 55 0 0.70 25 2.35 4.21 2.92 1.000 3_0004 13 0.17 -0.09 0.03 0.41 0.24 0.09 58479 64 0 0.63 26 2.82 4.00 2.86 1.000 4_0005 10 0.16 -0.17 0.03 0.44 0.26 0.10 84665 97 0 0.78 27 2.91 3.84 2.80 1.000 5_0006 4 0.04 -0.11 0.10 0.10 0.12 0.11 63269 76 0 0.64 28 2.85 3.82 2.73 1.000 6_0007 10 0.05 -0.13 0.04 0.20 0.16 0.09 58966 74 0 0.75 27 2.93 3.93 2.71 1.000 7_0008 2 -0.05 -0.08 0.10 0.16 0.08 0.10 173966 128 0 0.82 27 2.93 3.95 2.69 1.000 8_0009 17 0.12 -0.08 0.03 0.33 0.21 0.09 64050 71 0 0.78 29 2.88 4.00 2.70 1.000 9_0010 6 0.25 -0.07 0.03 0.55 0.13 0.06 100666 99 0 0.70 27 2.88 3.99 2.65 1.000 10_0011 14 -0.00 -0.18 0.06 0.16 0.21 0.09 142085 112 0 0.79 30 2.91 4.03 2.63 1.000 11_0012 8 0.03 -0.15 -0.01 0.15 0.15 0.08 38783 72 0 0.76 26 2.83 3.97 2.57 1.000 12_0013 10 0.13 -0.24 -0.02 0.34 0.34 0.12 86594 68 0 0.83 27 2.85 4.05 2.57 1.000 13_0014 4 0.11 -0.07 0.09 0.14 0.15 0.13 54312 54 0 0.86 30 2.86 4.08 2.57 1.000 14_0015 5 -0.02 -0.14 0.14 0.13 0.14 0.23 44496 57 0 0.83 23 2.82 4.05 2.57 1.000 15_0016 12 0.23 -0.10 0.06 0.59 0.20 0.13 51028 55 0 0.78 27 2.94 4.11 2.58 1.000 16_0017 12 -0.06 -0.18 0.06 0.29 0.24 0.08 45101 52 0 0.78 27 2.95 4.14 2.58 1.000 17_0018 7 -0.00 -0.14 0.04 0.09 0.15 0.06 77170 74 0 0.78 28 2.89 4.11 2.57 1.000 18_0019 11 -0.03 -0.14 0.04 0.12 0.16 0.07 46982 69 0 0.78 25 2.89 4.13 2.59 1.000 19_0020 10 0.05 -0.12 0.03 0.16 0.12 0.06 104845 93 0 0.79 26 2.86 4.16 2.61 1.000 Background pixels updated = 92.99% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 -0.08 -0.24 0.05 0.16 0.27 0.08 89686 75 0 0.84 32 2.89 4.21 2.65 1.000 21_0022 8 0.11 -0.20 0.06 0.26 0.22 0.20 41659 62 0 0.75 24 2.87 4.18 2.65 1.000 22_0023 10 0.11 -0.16 0.11 0.20 0.20 0.22 36022 54 10 0.69 31 2.89 4.20 2.65 1.000 23_0024 11 -0.05 -0.16 0.01 0.17 0.18 0.10 46499 60 0 0.80 25 2.85 4.21 2.66 1.000 24_0025 6 -0.08 -0.16 0.06 0.17 0.17 0.16 54878 62 0 0.75 24 2.83 4.21 2.66 1.000 25_0026 11 0.01 -0.10 -0.04 0.19 0.17 0.21 35823 50 9 0.73 24 2.79 4.20 2.66 1.000 I/Sigma = 74.12 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.069 Region 1 Sum = 34604.8; Maximum = 1277.33; FM = 0.886 !Region 1: Section 1->3 0 1 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 4 4 1 0 0 0 0 0 2 2 1 0 0 0 0 0 1 5 9 7 2 0 0 0 0 1 5 14 14 4 1 0 0 0 0 2 2 1 0 0 0 0 0 1 5 11 9 2 0 0 0 0 1 6 18 23 8 1 0 0 0 0 1 2 1 0 0 0 0 0 1 4 10 10 3 1 1 0 0 1 5 20 36 17 3 1 0 0 0 1 1 1 0 0 0 0 0 0 2 9 12 4 1 1 0 0 0 3 22 45 21 4 1 0 0 0 0 1 1 0 0 0 0 0 0 1 5 7 2 1 0 0 0 0 2 13 25 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 1 3 4 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 9 14 7 2 1 0 0 0 1 3 8 8 4 1 0 0 0 0 1 3 6 4 1 0 0 0 3 13 28 19 6 1 0 0 0 1 5 18 27 14 2 1 0 0 0 1 7 19 14 3 1 0 0 3 18 50 44 15 2 1 0 0 1 7 35 65 39 7 1 0 0 0 2 13 47 42 10 1 0 0 2 23 69 60 20 3 1 0 0 1 10 53100 55 9 1 0 0 1 3 23 77 63 14 1 0 0 1 14 41 37 13 2 1 0 0 1 7 39 73 38 6 1 0 0 1 2 21 62 47 11 1 0 0 1 3 7 8 3 1 0 0 0 0 2 9 17 10 2 1 0 0 0 1 6 17 15 5 1 0 0 0 1 1 1 1 0 0 0 0 0 0 2 3 2 1 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 6 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 12 19 7 1 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 1 5 22 31 11 2 0 0 0 0 1 3 7 5 2 0 0 0 0 0 0 1 1 1 0 0 0 1 4 21 26 10 2 0 0 0 0 1 3 7 5 2 0 0 0 0 0 0 1 1 1 0 0 0 1 2 7 11 6 2 0 0 0 0 0 2 4 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 2 1 0 0 0 0 1 1 2 2 1 0 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 = 248.08 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.079 Region 2 Sum = 335533; Maximum = 23535.4; FM = 0.814 !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 1 1 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 0 1 7 13 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 1 10 27 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 11 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 6 15 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 7 15 5 0 0 0 0 0 0 4 12 4 0 0 0 0 0 0 2 9 4 0 0 0 0 0 1 16 48 16 1 0 0 0 0 1 16 60 21 1 0 0 0 0 0 10 49 21 1 0 0 0 0 1 23 72 23 1 0 0 0 0 1 28100 36 1 0 0 0 0 0 23 88 35 1 0 0 0 0 1 12 31 8 0 0 0 0 0 0 14 43 13 0 0 0 0 0 0 11 42 16 1 0 0 0 0 0 2 3 1 0 0 0 0 0 0 2 5 2 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 22 11 1 0 0 0 0 0 1 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 42 19 1 0 0 0 0 0 2 9 5 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 6 23 11 1 0 0 0 0 0 1 6 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 4 3 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 = 150.89 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.103 Region 3 Sum = 135244; Maximum = 10768.5; FM = 0.833 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 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 3 2 0 0 0 0 0 3 6 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 1 5 12 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 6 13 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 1 0 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 4 2 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 3 10 13 4 0 0 0 0 0 2 10 15 3 0 0 0 0 0 1 5 7 1 0 0 0 0 1 10 38 27 3 0 0 0 0 1 10 54 40 4 0 0 0 0 0 4 27 21 2 0 0 0 0 1 23 63 24 1 0 0 0 0 1 33100 41 2 0 0 0 0 1 17 57 26 2 0 0 0 0 1 15 29 7 0 0 0 0 0 1 24 53 13 1 0 0 0 0 1 18 37 11 1 0 0 0 0 0 2 3 1 0 0 0 0 0 1 5 8 2 0 0 0 0 0 1 5 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 4 4 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 14 6 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 14 5 1 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 5 2 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 54.81 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 4 Sum = 20479.8; Maximum = 703.542; FM = 0.835 !Region 4: Section 1->3 0 0 1 1 0 0 0 0 0 0 1 3 3 0 0 0 0 0 0 1 5 7 2 0 0 0 0 0 1 1 1 0 1 0 0 0 0 3 6 6 2 1 1 1 0 0 3 12 20 8 2 0 1 0 0 1 1 1 0 0 0 0 0 0 2 5 7 3 1 0 1 0 0 2 14 33 20 3 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 7 4 2 1 0 0 0 2 14 49 33 6 1 0 0 0 0 0 1 1 0 0 0 0 0 0 2 5 4 1 1 0 0 0 1 9 38 31 6 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 1 0 1 1 3 9 11 3 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 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 0 !Region 4: Section 4->6 0 1 5 9 3 0 0 0 0 0 0 2 4 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 13 29 13 2 0 0 0 0 1 6 17 11 2 0 0 0 0 0 1 3 5 2 1 0 0 0 2 20 58 42 6 1 0 0 0 1 11 39 38 9 1 0 0 0 1 2 8 17 7 1 0 0 0 2 24 99 81 17 2 0 0 0 1 15 72 82 29 3 0 0 0 1 3 18 39 25 3 1 0 0 1 16 83 84 22 2 0 0 0 1 12 68100 47 7 1 0 0 1 4 22 62 50 8 1 0 1 1 4 23 35 14 2 1 0 0 1 3 25 67 44 6 1 0 0 1 1 14 69 59 10 1 0 0 1 1 3 5 3 1 1 0 0 1 1 5 19 18 4 1 0 0 1 1 5 30 32 8 2 1 0 1 1 1 1 1 0 0 0 0 1 1 1 4 5 2 0 0 0 0 1 2 7 10 4 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 2 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 9 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 19 21 4 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 5 31 32 7 1 0 0 0 0 1 5 6 3 1 0 0 0 0 0 0 1 1 0 0 0 0 1 3 18 22 7 2 1 0 0 0 1 4 6 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 5 8 4 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 31.47 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 5 Sum = 7071.28; Maximum = 215.176; FM = 0.857 !Region 5: Section 1->3 0 1 0 0 0 1 0 0 0 0 2 2 0 1 1 0 -1 0 0 2 5 1 1 0 0 0 0 2 4 1 -1 -1 0 -1 -1 0 4 10 7 1 1 0 0 0 0 3 13 16 7 2 1 0 0 0 1 3 2 0 0 -1 0 -1 -1 2 9 11 6 1 0 1 0 0 3 13 27 22 7 1 1 1 1 1 3 2 1 0 -1 0 0 0 1 6 12 12 4 0 1 1 0 2 10 33 49 23 5 2 1 0 0 1 -1 -1 1 1 1 1 0 0 2 8 10 5 1 1 1 1 1 5 29 48 29 9 2 1 1 0 2 0 0 0 -1 0 0 0 0 2 2 4 2 0 0 0 0 0 1 7 16 13 5 1 1 1 1 1 0 0 -1 -1 -1 -1 -1 1 2 1 1 0 -1 -1 -1 0 1 1 1 2 2 0 0 0 1 0 0 0 0 -2 -1 0 -1 -1 0 0 1 0 -1 0 0 -1 -1 0 0 1 1 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 2 4 1 1 0 0 0 0 0 1 2 1 1 0 0 1 0 0 0 1 1 1 0 0 0 0 1 9 17 11 4 1 0 0 0 1 3 10 10 5 1 0 0 0 0 1 2 5 4 1 0 0 1 2 10 31 38 18 4 2 1 1 1 5 18 32 24 9 2 0 1 0 3 7 13 16 9 2 1 1 2 9 41 83 60 20 4 1 0 1 5 24 64 71 39 9 1 0 1 3 8 22 42 35 10 1 0 1 4 40 90 79 32 6 1 0 1 2 24 75100 64 16 2 0 1 1 7 29 64 64 22 3 0 0 1 11 33 36 19 4 1 1 0 1 8 33 59 50 14 2 1 0 1 3 16 50 60 22 5 1 1 1 1 3 5 4 2 1 1 0 1 2 4 10 12 6 1 0 0 0 1 3 11 18 10 3 0 0 0 0 1 1 0 0 1 0 1 1 1 1 2 2 2 2 0 1 1 1 2 2 3 4 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Region 5: Section 7->9 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 -1 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 1 1 0 1 0 1 3 3 3 1 2 0 0 0 1 2 2 1 1 2 0 0 0 1 2 3 5 4 1 1 1 0 2 2 2 1 2 1 1 1 0 2 1 1 0 2 0 1 1 1 2 2 4 11 13 4 1 0 0 3 2 1 2 3 2 1 1 0 2 2 0 1 2 1 0 0 0 1 1 6 20 28 15 3 1 1 1 1 2 4 6 6 1 1 0 1 1 1 1 1 1 0 0 1 1 1 4 20 32 20 8 2 1 1 2 2 5 9 11 6 1 1 1 1 1 2 2 3 2 1 0 0 1 2 7 13 11 6 1 0 0 1 1 2 6 7 5 1 0 0 0 0 0 2 3 1 0 1 1 1 1 2 3 5 3 1 1 0 0 0 0 2 3 3 0 0 -1 0 -1 -1 1 2 1 0 0 1 1 1 1 1 2 1 0 0 0 1 0 1 2 2 1 0 0 -1 0 0 0 1 1 0 0 I/Sigma = 31.06 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 6496.42; Maximum = 244.102; FM = 0.856 !Region 6: Section 1->3 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 2 4 2 1 1 0 1 1 0 4 8 4 2 1 0 2 1 0 2 5 3 2 1 0 1 0 0 4 6 1 1 1 0 0 1 0 7 10 3 1 1 -1 0 0 0 4 8 9 6 3 0 0 0 0 3 4 2 1 1 0 0 0 0 4 7 5 3 1 0 0 0 0 3 7 17 20 11 3 1 0 0 1 2 3 3 1 1 2 1 0 1 3 6 5 3 2 3 2 0 0 4 21 30 18 6 2 1 0 0 1 1 2 1 1 2 1 0 0 1 2 3 1 2 3 2 0 0 2 10 14 7 2 2 1 0 1 1 0 1 1 0 0 0 0 1 2 0 2 1 1 0 0 0 0 1 1 2 2 1 1 0 0 0 1 0 1 1 0 1 1 0 0 1 1 1 1 0 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 6: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 1 1 0 0 0 0 2 5 5 2 1 -1 -1 -1 1 2 6 8 4 2 -1 -1 -1 0 1 3 4 3 2 0 0 0 2 7 18 22 13 4 1 0 0 1 4 16 26 18 8 1 0 0 1 2 5 10 9 5 1 0 0 2 8 34 61 49 21 5 0 0 2 6 27 65 66 32 9 1 0 1 2 7 22 28 17 7 1 0 0 6 46 90 76 35 9 1 0 1 5 36 96100 55 16 1 0 1 2 9 33 42 31 15 4 0 1 4 24 46 38 17 5 1 0 1 3 20 54 54 30 9 1 1 1 2 6 20 26 20 8 2 0 0 2 3 6 5 3 1 1 0 1 2 3 7 7 4 1 1 0 1 1 1 4 4 3 2 1 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 -1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 6: Section 7->9 0 1 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 1 1 1 0 1 1 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 1 2 2 2 3 3 2 1 1 0 1 2 1 2 1 2 2 0 0 0 0 0 0 0 0 0 0 1 2 2 2 4 7 6 2 1 0 1 1 0 2 4 4 2 1 0 0 0 0 0 0 1 0 0 1 2 2 3 7 16 17 8 1 0 1 0 1 4 9 11 7 1 0 0 0 0 1 1 2 2 0 2 2 2 3 6 11 11 6 1 1 1 2 2 3 6 8 6 1 0 0 0 0 0 1 2 2 0 1 1 1 2 2 3 3 3 1 0 0 1 1 1 2 2 2 1 0 0 0 0 0 0 0 1 0 1 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 54.55 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.301 Region 7 Sum = 16942.1; Maximum = 579.525; FM = 0.848 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 2 2 1 1 1 1 0 0 0 2 3 2 1 1 1 0 0 1 2 1 1 0 0 0 0 1 2 5 5 3 1 1 0 1 1 2 8 10 9 4 1 0 1 0 2 3 1 1 0 0 0 0 0 4 8 8 7 3 1 0 1 0 4 14 20 25 13 4 1 1 0 1 2 2 1 1 1 1 0 0 3 10 15 12 5 2 1 1 0 4 18 38 46 22 6 2 1 0 0 1 1 1 1 1 1 0 0 1 6 11 8 3 1 1 0 0 1 12 32 29 10 2 1 1 0 0 1 1 1 1 0 0 0 0 1 2 3 2 1 1 1 0 0 1 3 7 4 2 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 !Region 7: Section 4->6 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 3 2 1 1 0 0 1 1 2 3 3 3 1 0 0 0 1 1 3 3 4 2 1 0 1 6 10 13 8 4 1 1 0 1 2 6 11 13 12 5 1 0 0 2 3 6 12 16 8 2 0 3 10 22 47 38 16 3 1 0 1 4 14 45 60 45 13 2 1 0 2 6 21 48 59 22 4 1 2 14 47 94 64 19 3 1 0 1 5 33 97100 52 11 2 1 0 2 12 44 80 66 20 4 1 1 11 41 53 25 6 1 1 0 1 5 29 49 38 16 4 1 0 1 2 10 22 33 23 7 1 0 0 3 7 6 3 2 1 0 0 0 1 4 5 4 3 2 1 0 1 1 2 3 4 4 2 1 0 0 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 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 1 0 !Region 7: Section 7->9 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 0 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 0 1 1 2 5 9 6 2 1 0 1 1 1 2 3 3 2 1 0 0 1 1 1 1 1 1 1 0 1 2 5 17 30 17 5 1 1 1 1 2 2 5 6 3 1 1 1 1 1 1 1 1 1 1 0 1 2 8 27 32 15 5 1 0 1 1 2 2 5 6 4 1 0 0 1 1 1 1 1 2 1 0 1 1 5 12 12 6 2 1 0 0 1 1 1 3 3 2 1 0 0 1 1 0 1 1 2 1 0 1 1 2 2 3 2 1 1 0 0 1 1 1 2 2 1 1 0 0 1 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 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 I/Sigma = 66.20 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.301 Region 8 Sum = 25743.7; Maximum = 1240.83; FM = 0.863 !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 1 1 1 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 4 11 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4 7 4 1 1 0 0 0 0 7 17 14 6 2 1 0 0 0 1 1 0 0 0 0 0 0 0 4 8 6 2 1 0 0 0 1 6 19 23 11 2 1 0 0 0 1 1 0 0 0 0 0 0 1 3 8 8 2 1 0 0 0 1 5 21 27 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 1 1 0 0 0 0 3 11 10 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 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 8: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 2 6 4 1 0 0 0 0 0 2 6 5 2 0 0 0 2 7 10 10 5 1 0 0 0 0 2 10 23 17 4 0 0 0 0 1 6 21 21 6 1 0 0 4 14 25 30 12 1 0 0 0 1 6 27 66 41 6 1 0 0 1 2 14 56 50 10 1 0 0 4 18 47 50 13 1 0 0 0 1 9 53100 41 4 0 0 0 1 3 26 80 48 6 1 0 0 3 22 46 26 4 1 0 0 0 1 12 46 52 15 1 0 0 0 1 3 21 42 18 2 0 0 0 2 11 13 4 1 0 0 0 0 1 6 11 8 2 1 0 0 0 0 1 5 7 3 1 0 0 0 0 2 1 1 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 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 2 3 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 2 7 10 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 1 0 0 0 1 3 17 23 7 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 1 1 1 0 0 0 1 4 23 20 4 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 1 1 0 0 0 1 4 12 7 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 189.89 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.079 Region 9 Sum = 206342; Maximum = 18890.8; FM = 0.817 !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 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 3 10 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 2 10 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 8 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 6 5 1 0 0 0 0 0 1 7 8 1 0 0 0 0 0 0 3 5 1 0 0 0 0 0 3 23 36 7 0 0 0 0 0 3 27 47 10 0 0 0 0 0 1 14 26 7 1 0 0 0 0 3 27 73 27 1 0 0 0 0 2 36100 35 1 0 0 0 0 1 21 56 20 1 0 0 0 0 1 10 33 14 1 0 0 0 0 1 12 46 19 1 0 0 0 0 0 6 25 11 1 0 0 0 0 0 2 5 2 0 0 0 0 0 0 2 6 2 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 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 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 10 6 1 0 0 0 0 0 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 16 9 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 4 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (201 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 201 0 201 8.6801 0.8752 10.191 123.498 Orientation ('UB') matrix: 0.1442292 0.0358496 -0.0034909 0.0298990 -0.0027543 0.0773519 0.0658804 -0.0772341 -0.0043788 A B C Alpha Beta Gamma Vol 6.2437 11.7380 12.9905 90.000 96.980 90.000 945.00 0.0004 0.0008 0.0018 0.000 0.008 0.000 0.23 Corrected for goodness of fit: 0.0010 0.0019 0.0041 0.000 0.019 0.000 0.55 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.956 96.135 24.245 Goniometer zeros (deg): 0.0000* 0.0820 0.0000* 0.0084 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0203 -0.4947 0.0745 -0.2152 -0.2485 0.8356 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 5.49605e+03 3.23456e+03 2.35 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 199 Average input ESD (pix, pix, deg): 0.21116 0.16964 0.05170 Goodness of fit: 3.03418 2.09234 1.59168 Old XYZ spot size: 2.274 2.594 2.103 New XYZ spot size: 2.265 2.603 2.093 Average missing volume: 0.047 % with too much missing I: 5.091 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:22:47 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 2.265 2.603 2.093 Spot size used (deg): 2.265 2.603 2.093 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): 0.316 0.301 0.312 Profile convolver halfwidth: 1.00 1.00 1.88 Background pixels updated = 92.26% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 0.00 1.000 2_0003 3 -0.13 -0.06 0.05 0.15 0.18 0.06 44683 55 0 0.73 24 1.80 2.72 3.99 1.000 3_0004 15 0.59 -0.12 -0.07 1.67 0.47 0.21 57255 61 0 0.76 27 2.41 2.84 3.37 1.000 4_0005 12 0.54 -0.21 0.05 1.33 0.73 0.23 52571 86 0 0.76 27 2.42 2.64 3.16 1.000 5_0006 3 0.03 0.02 0.03 0.09 0.02 0.08 67949 77 0 0.67 29 2.37 2.61 3.22 1.000 6_0007 11 -0.01 -0.01 -0.02 0.11 0.12 0.08 53325 75 0 0.80 27 2.34 2.63 3.42 1.000 7_0008 2 -0.03 0.05 0.05 0.13 0.05 0.05 195114 127 0 0.88 27 2.33 2.63 3.47 1.000 8_0009 15 0.10 -0.24 -0.06 0.31 0.87 0.18 51977 69 0 0.83 28 2.26 2.66 3.43 1.000 9_0010 7 0.13 0.01 0.01 0.37 0.08 0.06 76057 103 0 0.74 27 2.25 2.65 3.43 1.000 10_0011 15 0.01 -0.06 0.02 0.13 0.13 0.07 97092 105 0 0.77 29 2.21 2.64 3.41 1.000 11_0012 9 0.02 -0.04 -0.03 0.17 0.08 0.09 45525 73 0 0.74 27 2.14 2.59 3.48 1.000 12_0013 10 0.12 -0.12 -0.04 0.31 0.24 0.12 68918 69 0 0.84 27 2.12 2.61 3.47 1.000 13_0014 4 0.12 0.06 0.03 0.14 0.14 0.09 49105 54 0 0.86 30 2.13 2.63 3.48 1.000 14_0015 5 -0.02 -0.03 0.01 0.10 0.06 0.04 44661 58 0 0.82 23 2.10 2.61 3.47 1.000 15_0016 12 0.19 -0.00 0.03 0.49 0.13 0.10 44301 56 0 0.76 27 2.17 2.66 3.45 1.000 16_0017 12 -0.14 -0.04 0.04 0.33 0.15 0.07 38886 52 0 0.77 27 2.18 2.69 3.41 1.000 17_0018 7 -0.01 -0.04 0.05 0.08 0.06 0.08 72563 74 0 0.78 27 2.14 2.67 3.38 1.000 18_0019 11 -0.01 -0.04 0.02 0.11 0.08 0.05 45517 70 0 0.79 25 2.13 2.68 3.40 1.000 19_0020 10 0.08 -0.01 0.02 0.15 0.05 0.04 88626 94 0 0.80 26 2.11 2.70 3.43 1.000 Background pixels updated = 93.26% 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 -0.05 -0.11 0.02 0.14 0.17 0.06 69498 76 0 0.84 32 2.13 2.73 3.44 1.000 21_0022 8 0.13 -0.10 -0.04 0.29 0.14 0.08 35947 63 0 0.77 24 2.12 2.72 3.42 1.000 22_0023 12 0.10 -0.06 0.05 0.34 0.24 0.13 29179 51 8 0.71 32 2.15 2.75 3.40 1.000 23_0024 11 -0.06 -0.04 0.01 0.18 0.13 0.09 40697 60 0 0.79 24 2.11 2.75 3.41 1.000 24_0025 6 -0.13 -0.04 0.06 0.22 0.10 0.16 54423 62 0 0.74 26 2.10 2.75 3.40 1.000 25_0026 9 0.09 -0.05 -0.02 0.13 0.08 0.17 26919 39 0 0.77 23 2.07 2.74 3.39 1.000 26_0027 13 0.12 0.05 0.05 0.38 0.26 0.19 88839 99 8 0.77 26 2.06 2.73 3.41 1.000 27_0028 7 0.73 0.42 -0.07 1.87 1.08 0.16 43136 63 0 0.80 30 2.06 2.75 3.41 1.000 28_0029 11 0.27 -0.06 -0.05 0.66 0.14 0.09 40687 68 0 0.80 28 2.06 2.74 3.41 1.000 29_0030 7 0.26 0.03 -0.02 0.48 0.22 0.10 44552 66 0 0.79 23 2.07 2.74 3.40 1.000 30_0031 11 0.03 0.12 -0.03 0.14 0.14 0.07 52849 61 0 0.80 30 2.08 2.76 3.39 1.000 31_0032 9 0.09 0.16 -0.11 0.15 0.25 0.18 34418 52 0 0.78 25 2.08 2.77 3.39 1.000 32_0033 14 0.25 0.04 -0.08 0.61 0.35 0.10 95685 95 0 0.76 25 2.06 2.78 3.41 1.000 33_0034 11 0.03 0.15 0.03 0.17 0.18 0.24 34994 48 0 0.71 27 2.06 2.78 3.39 1.000 34_0035 7 0.09 0.08 -0.11 0.16 0.16 0.18 129142 221 0 0.85 43 2.06 2.79 3.40 1.000 35_0036 7 0.30 0.12 -0.13 0.32 0.29 0.14 36978 62 0 0.74 25 2.06 2.80 3.40 1.000 36_0037 9 0.14 0.25 -0.07 0.23 0.30 0.09 67864 80 0 0.72 27 2.05 2.81 3.40 1.000 37_0038 12 0.12 0.20 -0.13 0.29 0.27 0.21 59140 73 0 0.79 24 2.05 2.83 3.41 1.000 38_0039 14 0.41 0.28 -0.03 1.61 0.33 0.12 39895 55 7 0.75 28 2.05 2.84 3.41 1.000 39_0040 12 0.13 0.19 -0.08 0.37 0.23 0.14 72500 84 0 0.73 26 2.05 2.85 3.43 1.000 Background pixels updated = 93.11% 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 4 0.08 0.18 -0.08 0.14 0.34 0.08 21703 32 0 0.58 28 2.05 2.85 3.42 1.000 41_0042 5 0.01 0.21 -0.07 0.22 0.28 0.11 125924 105 0 0.78 24 2.04 2.86 3.42 1.000 42_0043 7 0.23 0.22 -0.14 0.31 0.24 0.14 86956 91 0 0.65 27 2.04 2.86 3.43 1.000 43_0044 19 0.23 0.30 -0.07 0.33 0.37 0.13 63516 78 0 0.71 26 2.03 2.89 3.42 1.000 44_0045 6 0.26 0.28 -0.16 0.27 0.34 0.17 65421 87 0 0.78 24 2.03 2.89 3.42 1.000 45_0046 12 0.31 0.28 -0.11 0.35 0.34 0.13 43867 57 0 0.69 27 2.03 2.91 3.41 1.000 46_0047 8 0.10 0.22 -0.09 0.12 0.25 0.11 82773 89 0 0.75 30 2.02 2.92 3.41 1.000 47_0048 11 0.43 0.42 -0.22 1.06 0.57 0.46 95848 89 0 0.83 25 2.02 2.93 3.41 1.000 48_0049 7 0.24 0.31 -0.11 0.33 0.34 0.13 38864 48 0 0.67 25 2.01 2.93 3.40 1.000 49_0050 7 0.30 0.33 -0.20 0.38 0.35 0.28 60451 68 0 0.76 30 2.00 2.93 3.40 1.000 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (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 12.9265 0.8683 6.838 125.197 Orientation ('UB') matrix: 0.1441213 0.0358077 -0.0037342 0.0297970 -0.0026089 0.0771488 0.0657736 -0.0772790 -0.0043348 A B C Alpha Beta Gamma Vol 6.2474 11.7355 13.0179 90.000 96.795 90.000 947.72 0.0003 0.0005 0.0006 0.000 0.004 0.000 0.11 Corrected for goodness of fit: 0.0008 0.0016 0.0018 0.000 0.011 0.000 0.33 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.975 96.030 24.224 Goniometer zeros (deg): 0.0000* 0.1430 0.0000* -0.0681 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0708 -0.7991 0.0698 -0.2203 -0.2577 0.8878 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.48797e+04 1.17510e+04 3.10 25 1 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 414 414 406 Average input ESD (pix, pix, deg): 0.22615 0.18801 0.05313 Goodness of fit: 3.28801 3.59967 2.16942 Background pixels updated = 93.12% 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 8 0.03 0.13 -0.05 0.10 0.16 0.08 86668 83 0 0.79 26 2.00 2.94 3.40 1.000 51_0052 10 0.14 0.21 -0.02 0.63 0.24 0.18 53514 60 0 0.75 25 2.00 2.95 3.39 1.000 52_0053 7 0.08 0.19 -0.07 0.16 0.23 0.10 32336 74 0 0.81 26 2.00 2.95 3.40 1.000 53_0054 11 -0.07 0.13 -0.02 0.25 0.20 0.10 77143 74 0 0.73 22 2.01 2.96 3.39 1.000 54_0055 11 0.13 0.19 -0.06 0.18 0.22 0.10 63825 85 0 0.79 27 2.01 2.97 3.39 1.000 55_0056 12 0.09 0.14 -0.06 0.22 0.22 0.11 55031 62 0 0.76 26 2.00 2.98 3.38 1.000 56_0057 7 0.00 0.02 -0.01 0.09 0.21 0.07 41198 46 14 0.78 32 2.01 2.98 3.38 1.000 57_0058 6 0.04 0.16 -0.07 0.14 0.17 0.11 54989 75 0 0.79 27 2.00 2.99 3.38 1.000 58_0059 8 0.74 -0.17 -0.11 1.82 0.92 0.18 41155 51 13 0.70 26 2.01 3.00 3.37 1.000 59_0060 10 0.14 0.20 -0.12 0.29 0.33 0.20 42064 53 10 0.78 27 2.01 3.01 3.37 1.000 Background pixels updated = 92.03% 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 6 0.06 0.03 -0.00 0.12 0.31 0.13 49693 59 0 0.75 26 2.02 3.02 3.37 1.000 61_0062 10 0.03 0.17 -0.03 0.12 0.22 0.07 44324 59 0 0.79 28 2.03 3.03 3.37 1.000 62_0063 12 -0.00 0.12 -0.01 0.18 0.17 0.07 89073 96 0 0.82 26 2.03 3.04 3.38 1.000 63_0064 8 -0.32 0.15 0.00 0.79 0.26 0.06 53850 78 0 0.88 26 2.02 3.04 3.39 1.000 64_0065 11 0.12 0.15 -0.04 0.24 0.18 0.11 66848 70 0 0.81 26 2.02 3.05 3.39 1.000 65_0066 12 -0.09 0.06 0.01 0.32 0.16 0.12 80623 89 0 0.79 24 2.02 3.05 3.40 1.000 66_0067 16 -0.09 0.20 -0.02 0.16 0.25 0.12 51961 66 0 0.79 26 2.02 3.06 3.39 1.000 67_0068 8 0.20 0.21 -0.01 0.56 0.32 0.05 59497 79 0 0.80 26 2.03 3.07 3.40 1.000 68_0069 6 -0.00 0.25 -0.01 0.09 0.31 0.05 67205 89 0 0.74 27 2.03 3.07 3.41 1.000 69_0070 14 0.07 0.22 0.07 0.23 0.41 0.39 63762 76 0 0.82 28 2.03 3.09 3.41 1.000 70_0071 6 -0.02 0.04 -0.01 0.12 0.17 0.06 63160 76 0 0.84 27 2.03 3.10 3.42 1.000 71_0072 15 0.02 0.17 -0.06 0.58 0.33 0.17 49889 76 0 0.84 32 2.04 3.11 3.42 1.000 72_0073 7 -0.06 0.16 -0.04 0.19 0.20 0.11 50685 62 0 0.81 26 2.04 3.12 3.41 1.000 73_0074 14 -0.01 0.14 -0.02 0.24 0.22 0.08 62680 76 0 0.74 27 2.04 3.12 3.43 1.000 74_0075 8 0.15 0.14 -0.01 0.44 0.30 0.20 69212 100 0 0.90 29 2.05 3.13 3.43 1.000 75_0076 7 0.04 0.07 -0.05 0.21 0.12 0.15 18015 34 0 0.77 27 2.05 3.13 3.42 1.000 76_0077 9 0.08 0.10 0.01 0.11 0.12 0.04 89583 82 0 0.73 27 2.04 3.13 3.42 1.000 77_0078 2 0.75 -0.32 -0.12 0.98 0.57 0.22 28455 36 0 0.56 23 2.04 3.13 3.42 1.000 78_0079 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 2.04 3.13 3.42 1.000 79_0080 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 13 2.04 3.13 3.42 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_03_0080.sfrm I/Sigma = 100.70 Thresh = 0.020 Blend = F #Contributing = 226 InitialProfileWt = 0.000 Region 1 Sum = 59353.8; Maximum = 1671.09; FM = 0.839 !Region 1: Section 1->3 0 0 1 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 5 1 1 0 0 0 0 1 7 12 6 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 5 2 0 0 0 0 0 2 10 21 10 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 5 7 2 1 1 1 0 0 2 13 37 19 3 1 1 0 0 1 1 1 0 0 0 0 0 0 2 7 9 3 1 1 1 0 0 2 20 56 28 4 1 1 0 0 1 1 1 0 0 0 0 0 0 2 9 13 4 1 0 1 0 0 2 24 65 32 4 1 1 0 0 1 1 1 0 0 0 0 0 0 1 5 6 2 1 0 0 0 0 2 10 24 13 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 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 1: Section 4->6 0 0 2 4 3 1 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 1 2 2 1 0 0 0 1 5 14 10 2 1 0 0 0 0 2 7 10 5 1 0 0 0 0 1 2 7 7 2 0 0 0 1 9 31 21 4 1 0 0 0 0 4 18 24 12 2 0 0 0 0 1 5 18 17 4 1 0 0 1 14 63 45 9 2 1 0 0 1 7 41 56 29 6 1 0 0 0 2 13 47 48 12 1 0 0 2 23 94 66 14 3 1 0 0 1 11 59 81 44 9 1 0 0 1 2 17 69 74 20 2 0 0 2 26100 75 16 2 1 0 0 1 11 60 89 49 10 1 0 0 1 2 17 70 78 22 3 0 0 1 9 36 30 8 1 0 0 0 1 4 21 38 26 7 1 0 0 0 1 7 31 44 17 3 0 0 1 2 6 6 3 1 0 0 0 0 1 4 8 8 3 1 0 0 0 1 2 8 15 9 2 0 0 0 1 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 4 2 1 0 !Region 1: Section 7->9 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 2 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 11 4 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 24 33 10 1 0 0 0 0 1 5 8 4 1 0 0 0 0 0 0 1 1 1 0 0 0 1 5 36 56 18 2 0 0 0 0 1 8 15 7 2 0 0 0 0 0 0 1 1 1 0 0 0 1 5 33 56 22 3 0 0 0 0 1 6 15 9 2 0 0 0 0 0 0 1 1 1 0 0 0 1 2 14 33 18 3 0 0 0 0 1 3 10 8 2 0 0 0 0 0 0 1 1 1 0 0 0 0 1 5 13 10 3 0 0 0 0 0 1 5 5 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 257.23 Thresh = 0.020 Blend = F #Contributing = 177 InitialProfileWt = 0.000 Region 2 Sum = 271978; Maximum = 21861.3; FM = 0.787 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 0 0 0 0 0 0 0 9 21 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 17 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 1 10 23 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 9 2 0 0 0 0 0 0 2 7 2 0 0 0 0 0 0 1 3 1 0 0 0 0 0 1 18 51 10 0 0 0 0 0 0 14 44 11 0 0 0 0 0 0 5 23 8 0 0 0 0 0 1 38100 24 1 0 0 0 0 1 30 91 27 1 0 0 0 0 0 12 50 20 1 0 0 0 0 1 20 55 13 1 0 0 0 0 1 15 51 16 1 0 0 0 0 0 6 30 15 1 0 0 0 0 0 3 7 2 0 0 0 0 0 0 2 7 3 0 0 0 0 0 0 1 6 4 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 5 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 30 13 1 0 0 0 0 0 2 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 19 11 1 0 0 0 0 0 1 7 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 5 4 1 0 0 0 0 0 0 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 190.58 Thresh = 0.020 Blend = F #Contributing = 126 InitialProfileWt = 0.000 Region 3 Sum = 210810; Maximum = 16298.1; FM = 0.82 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 2 12 21 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 10 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 1 5 4 1 0 0 0 0 0 1 3 3 1 0 0 0 0 1 8 20 8 1 0 0 0 0 1 9 32 16 2 0 0 0 0 0 6 24 17 4 0 0 0 0 3 33 67 15 1 0 0 0 0 3 46100 28 2 0 0 0 0 2 32 77 29 3 0 0 0 1 4 29 41 7 1 0 0 0 1 4 40 62 13 1 0 0 0 0 3 26 45 12 1 0 0 0 0 2 6 8 2 0 0 0 0 1 2 8 14 4 0 0 0 0 0 1 6 11 3 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 9 3 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 10 29 16 2 0 0 0 0 0 1 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 16 6 1 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 I/Sigma = 81.18 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.004 Region 4 Sum = 43045.4; Maximum = 1416.49; FM = 0.845 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 1 3 7 6 2 1 0 0 0 1 1 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 6 19 14 3 1 0 0 0 0 1 1 0 0 0 0 0 0 1 3 6 3 1 1 1 0 0 1 11 44 24 4 1 1 0 0 1 1 0 0 0 0 0 0 0 1 3 5 3 1 0 1 0 0 1 8 33 23 4 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 2 1 1 0 1 0 0 1 3 9 9 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 4: Section 4->6 0 0 1 3 3 1 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 1 3 3 1 0 0 0 1 3 9 8 2 1 0 0 0 0 2 8 12 7 1 0 0 0 0 1 3 10 9 2 0 0 0 1 4 16 17 5 1 0 0 0 1 3 14 24 12 2 0 0 0 0 1 6 19 16 4 0 0 0 1 8 37 38 10 2 1 0 0 1 5 30 53 25 4 1 0 0 1 1 11 41 33 7 1 0 0 1 15 80 61 14 2 1 0 0 1 8 55 81 46 8 1 0 0 1 2 17 64 64 14 1 0 0 1 10 63 66 17 3 1 0 0 1 6 50100 55 9 1 0 0 0 2 20 84 76 16 2 0 0 1 3 18 31 14 2 1 0 0 1 2 18 62 42 7 1 0 0 0 1 11 61 54 13 2 0 0 1 2 6 10 6 1 0 0 0 1 1 5 21 18 5 1 0 0 0 1 3 21 24 9 1 0 0 0 1 2 2 2 0 0 0 0 0 1 1 5 5 2 0 0 0 0 0 1 5 6 3 0 0 !Region 4: Section 7->9 0 0 0 0 1 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 4 5 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 7 9 3 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 1 0 1 0 0 0 0 1 2 14 17 5 1 0 0 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 23 35 10 1 0 0 0 1 1 2 6 3 1 0 0 0 1 1 1 0 0 0 0 0 0 1 5 30 40 12 2 0 0 0 1 1 3 7 3 1 0 0 0 0 0 0 1 1 1 0 0 0 1 4 24 29 10 2 0 0 0 0 1 2 5 4 1 0 0 0 0 0 1 1 1 1 0 0 0 1 1 9 14 8 2 0 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 4 3 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 49.70 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.024 Region 5 Sum = 18713.7; Maximum = 485.372; FM = 0.876 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 3 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 1 2 3 2 1 1 0 0 0 1 4 7 5 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 3 2 1 1 1 0 0 1 4 9 10 6 2 1 0 1 1 0 0 1 0 0 0 0 0 1 2 4 4 3 1 1 1 0 1 4 12 20 14 4 1 0 0 0 0 1 1 1 0 0 0 0 0 2 6 7 4 2 1 0 0 1 3 19 35 21 7 1 0 0 0 0 1 0 1 0 0 0 0 1 1 5 7 4 1 1 0 0 0 1 16 36 24 8 2 1 0 0 1 0 0 1 0 0 0 0 0 1 2 2 2 1 1 1 0 0 1 4 10 11 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 1 1 0 0 0 !Region 5: Section 4->6 0 1 4 4 3 1 0 0 0 0 1 3 5 4 2 1 1 0 0 0 2 3 3 2 1 0 0 1 4 11 12 7 2 1 0 0 1 3 8 14 12 6 2 1 0 0 1 3 7 10 6 2 1 0 1 5 14 25 17 6 1 1 1 1 3 11 27 26 13 4 1 1 1 1 4 12 21 14 5 1 0 1 4 17 49 43 16 3 1 0 1 3 13 49 60 36 10 2 0 1 1 5 20 41 41 16 2 0 1 4 29 74 62 27 5 2 0 1 3 19 67 84 63 22 5 1 0 1 5 25 56 73 38 6 1 0 2 24 74 73 36 8 2 0 1 2 15 64100 82 27 5 1 1 1 4 22 65 94 43 8 1 0 1 5 20 35 23 7 1 0 1 1 4 18 50 55 22 4 1 0 1 1 7 33 64 34 9 1 0 1 2 4 9 8 3 0 0 0 1 2 4 13 17 11 3 0 0 1 1 2 8 19 17 6 1 0 0 0 1 3 2 1 0 0 0 1 1 1 3 4 3 0 0 0 0 0 0 2 4 5 1 0 !Region 5: Section 7->9 0 0 1 1 1 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 4 2 1 0 0 0 1 1 2 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 3 8 8 3 1 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 1 1 0 0 1 1 1 4 13 21 12 2 0 1 0 1 2 3 5 4 1 0 0 0 0 1 1 1 1 0 0 0 0 1 4 17 37 28 5 1 0 0 1 2 3 7 9 2 0 0 0 0 1 1 1 1 1 0 0 1 2 4 19 45 30 8 1 0 0 1 2 2 7 10 5 1 0 0 1 1 1 1 2 2 1 0 1 1 2 9 31 24 11 2 0 1 1 1 1 5 8 7 2 0 0 0 1 0 1 2 2 1 0 1 0 1 3 8 12 7 1 0 1 0 1 1 1 4 4 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 70.89 Thresh = 0.020 Blend = F #Contributing = 25 InitialProfileWt = 0.046 Region 6 Sum = 26198.1; Maximum = 783.127; FM = 0.85 !Region 6: Section 1->3 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 3 3 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 4 5 3 1 0 0 0 0 1 5 8 6 2 1 1 0 0 1 1 1 0 0 0 0 0 0 1 4 4 3 1 0 1 0 0 1 5 9 8 3 2 1 0 0 0 1 0 0 0 0 0 0 0 1 3 4 4 2 1 0 0 0 1 4 9 13 7 3 1 0 0 0 1 1 0 0 0 0 0 0 1 3 6 7 2 1 1 0 0 1 4 12 21 11 4 2 1 0 0 0 1 1 0 0 0 0 0 0 2 8 11 3 1 1 0 0 0 4 18 31 12 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 4 1 0 0 0 0 0 2 8 12 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 6: Section 4->6 0 1 2 2 2 1 0 0 0 0 1 1 2 2 2 1 0 0 0 0 1 1 2 2 1 0 0 1 3 6 7 5 2 1 0 0 0 1 3 7 10 7 3 1 0 0 1 2 4 10 8 4 1 0 1 3 8 13 10 5 2 1 0 1 2 5 14 22 15 7 1 0 0 2 3 8 21 19 9 2 0 1 3 10 25 25 13 5 1 0 1 2 8 28 53 42 19 3 0 1 1 4 15 50 50 27 4 0 1 3 13 38 38 21 7 1 0 1 2 10 42 80 65 29 4 0 1 1 5 22 74 77 41 7 1 0 3 18 45 40 24 8 1 0 0 2 11 45 89 81 31 4 0 0 1 5 24 86100 42 8 1 0 2 7 18 16 11 4 1 0 0 1 4 18 37 42 19 4 1 1 1 2 10 38 55 26 7 1 0 1 1 3 4 3 2 1 0 0 1 1 3 8 12 8 3 0 0 1 1 2 9 16 12 5 1 0 0 0 1 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 1 1 2 4 3 1 0 !Region 6: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 8 8 5 1 0 0 1 1 0 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 1 2 4 17 21 15 3 0 0 0 1 1 1 2 4 1 0 0 0 0 0 0 0 1 1 0 0 1 2 5 24 33 24 6 1 0 0 1 1 2 4 8 5 1 0 0 0 0 0 1 2 2 1 0 1 2 6 28 42 24 8 1 0 1 1 1 2 5 8 7 2 0 0 1 1 1 1 2 3 1 0 1 1 3 14 23 15 8 1 0 0 1 1 1 3 5 6 2 0 0 0 0 1 1 2 3 1 0 1 1 1 4 7 6 5 1 0 0 0 0 1 1 2 4 2 0 0 0 0 0 0 1 2 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 I/Sigma = 73.80 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.005 Region 7 Sum = 30642.3; Maximum = 1118.15; FM = 0.897 !Region 7: Section 1->3 0 1 1 0 0 0 0 0 0 0 2 2 2 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 2 1 0 0 0 0 0 1 4 5 4 1 1 1 0 0 1 4 5 5 3 1 1 0 0 0 1 2 1 0 0 0 0 0 1 4 6 4 1 1 1 0 0 1 5 7 7 3 2 1 1 0 0 1 1 1 0 0 0 0 0 1 4 5 4 1 1 1 1 0 1 4 7 8 5 2 1 1 0 0 1 1 1 0 0 0 0 0 1 3 4 3 1 1 1 1 0 1 4 7 9 5 2 1 1 0 0 1 1 1 0 0 0 0 0 1 3 4 3 1 1 1 1 0 1 3 8 11 5 2 1 1 0 0 0 1 0 0 0 0 0 0 1 2 3 2 1 1 1 0 0 1 2 5 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 0 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 4->6 0 0 1 2 2 2 0 0 0 0 0 1 1 4 3 1 0 0 0 0 0 1 2 2 1 0 0 0 1 3 5 8 5 1 0 0 0 1 2 5 13 10 3 1 0 0 1 1 2 7 7 2 0 0 0 2 4 11 16 10 3 1 0 0 1 3 14 31 22 8 1 0 0 1 1 7 19 16 7 1 0 1 2 6 24 31 18 5 1 0 0 1 5 37 62 41 13 2 0 0 1 2 19 39 33 14 2 0 1 2 8 34 43 23 6 1 0 0 1 8 55 89 56 15 2 1 0 1 4 30 58 46 17 3 1 1 2 12 42 48 24 5 1 0 0 2 13 69100 56 12 1 0 0 1 5 37 64 42 13 3 1 0 1 8 21 19 10 2 0 0 0 1 8 34 40 22 5 1 0 0 1 3 18 25 16 5 1 0 0 1 2 4 5 3 1 0 0 0 1 3 6 9 6 2 0 0 0 1 1 4 6 5 2 1 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 1 0 0 !Region 7: 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 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 5 4 1 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 6 11 11 4 1 0 1 1 2 2 3 7 4 1 0 0 1 1 1 1 2 2 1 0 1 1 3 10 15 14 7 1 0 1 1 1 2 4 10 9 2 0 0 1 1 1 1 3 3 1 0 1 1 4 11 13 12 8 2 0 1 1 2 2 4 10 10 2 0 0 0 1 1 1 3 4 1 0 0 1 3 4 5 7 6 1 0 1 1 1 1 3 7 8 2 0 0 0 0 0 1 2 3 1 0 0 1 1 2 3 4 3 1 0 1 1 1 1 2 4 5 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 0 I/Sigma = 93.97 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.003 Region 8 Sum = 47681.5; Maximum = 1800.04; FM = 0.89 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 5 3 1 1 0 0 0 0 2 6 6 3 1 0 0 0 0 2 2 1 0 0 0 0 0 0 4 8 5 1 1 1 0 0 0 3 11 10 4 2 1 0 0 0 1 2 1 0 0 0 0 0 0 4 9 5 2 1 1 1 0 0 4 13 14 6 2 1 1 0 0 1 1 1 0 0 0 0 0 0 2 6 5 2 1 1 0 0 0 3 11 15 8 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 4 4 1 1 1 0 0 0 2 7 16 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 0 0 0 0 1 5 10 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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 1 1 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 2 2 1 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 7 7 3 1 0 0 0 0 1 6 10 5 1 0 0 0 0 1 3 6 4 1 0 0 0 1 6 17 19 7 1 1 0 0 1 3 20 34 15 3 1 0 0 0 1 9 21 17 5 1 0 0 2 10 36 39 12 2 1 0 0 1 6 47 70 29 5 1 0 0 1 2 21 45 34 10 1 0 0 2 10 46 55 18 2 0 0 0 1 7 63100 43 6 1 0 0 0 3 28 62 45 12 2 0 0 1 9 49 56 15 2 1 0 0 1 7 65 99 33 4 1 0 0 1 3 29 59 33 9 2 0 0 1 7 28 23 5 1 0 0 0 1 5 35 38 10 2 0 0 0 0 2 15 22 11 4 1 0 0 1 2 5 4 2 0 0 0 0 0 2 6 7 3 1 0 0 0 0 1 3 5 4 2 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 6 12 5 1 0 0 0 0 1 2 5 3 1 0 0 0 0 0 0 0 1 0 0 0 0 1 2 13 26 13 3 0 0 0 1 1 4 11 8 2 0 0 0 0 0 0 1 2 1 0 0 0 1 3 16 29 17 4 0 0 0 1 1 4 11 10 3 1 0 0 0 0 0 1 2 1 0 0 0 1 3 12 20 14 4 0 0 0 1 1 2 8 9 3 1 0 0 0 0 0 1 2 1 0 0 0 1 1 4 8 7 2 0 0 0 0 0 1 4 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 154.68 Thresh = 0.020 Blend = F #Contributing = 124 InitialProfileWt = 0.000 Region 9 Sum = 141962; Maximum = 9271.36; FM = 0.847 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 3 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 6 3 1 0 0 0 0 0 5 16 11 2 0 0 0 0 0 1 2 1 0 0 0 0 0 0 3 10 7 1 0 0 0 0 0 5 25 31 9 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 2 10 16 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 5 4 1 0 0 0 0 0 1 5 7 2 0 0 0 0 0 1 4 7 2 0 0 0 0 0 4 22 26 6 1 0 0 0 0 2 22 41 13 1 0 0 0 0 1 14 35 14 1 0 0 0 0 4 38 73 29 2 0 0 0 0 2 36100 48 3 0 0 0 0 1 21 78 45 5 0 0 0 0 1 14 40 25 2 0 0 0 0 1 13 56 39 4 0 0 0 0 0 7 41 33 5 1 0 0 0 1 3 7 4 1 0 0 0 0 0 2 9 6 1 0 0 0 0 0 1 6 6 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 14 9 2 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 6 28 23 5 0 0 0 0 0 1 4 7 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 13 15 5 1 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 3 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 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 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 9 Total topped/rescanned pixels: 188 Minimum pixel ceiling(frame): 163809(neal054_03_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_03_0001.sfrm) Total spots predicted: 845 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 90* Outside frame limits: 38* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 8* 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: 706 Total spot components written: 706 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 706 Twin overlaps written: 0 Average Intensity: 59696.6 Average I/sigma: 92.094 % over "strong" threshold: 93.20 % less than 2 sigma: 0.85 % which spanned more than 1 frame: 88.39 Average X,Y,Z positional errors: 0.12 0.09 -0.04 RMS X,Y,Z positional errors: 0.57 0.33 0.15 % X,Y,Z more than 0.5 pixel: 8.22 5.67 1.13 % X,Y,Z more than 1.0 pixel: 2.97 1.27 0.28 Avg % profile volume populated: 97.72 Avg % profile volume integrated: 17.65 Avg % profile missing I: 2.22 Avg % profile missing volume: 2.28 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: 4.86 7.97 4.88 Average spot-shape correlation: 0.757 RMS spot-shape correlation: 0.774 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.041 0.027 2 1.0 2.0 0.300 0.087 4 2.0 4.0 0.396 0.098 7 4.0 8.0 0.617 0.159 20 8.0 16.0 0.761 0.133 51 16.0 32.0 0.774 0.134 106 32.0 64.0 0.761 0.142 223 64.0 128.0 0.776 0.157 197 128.0 256.0 0.874 0.098 96 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): 59.799 Elapsed since INTEGRATE command (sec): 58.323 Integration time, this run (sec): 5.165 Time in unit-cell LS (sec): 0.195 Per-frame integration time (sec): 0.063 Integration completed normally ======================== 10/26/2021 10:22:53 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.3427241 will be applied to LS-fit intensities Number of spots read: 706 Number of LS-fit intensities scaled: 36 Number rejected due to poor spot shape: 1 Number unwritable (I, sigma too large): 0 Number written: 705 Sorting Reflection File ============================== 10/26/2021 10:22:53 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_03.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... 705 spot components in 705 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 705 spot components in 705 spots written to file /smb/isengard/data/neal054/work/neal054_03.raw Computing Reflection File Statistics ========== 10/26/2021 10:22:53 Integration of neal054 ................................................................................... Statistics for reflections in neal054_03.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 705 Number of reflection records read = 705 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 705 Number of spot components used = 705 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_03.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 11.735 13.018 90.000 96.795 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 2 16 2 0.0 14063.194 31.90 10.77 0.182 -0.020 5.3 0.000 0.365 0.00 2.7-.05-.20 3.3 1.4 .49 32.000 18 3 18 3 0.0 14376.284 34.36 10.93 0.109 0.012 4.1 0.000 0.218 0.00 .15 .17-.02 .75 .32 .17 64.000 29 5 27 7 0.0 15969.305 36.30 11.05 0.054 0.005 2.3 0.000 0.092 0.00 .03 .11-.03 .50 .33 .32 96.000 43 10 38 15 0.0 21802.905 41.50 11.25 0.209 -0.006 6.5 0.000 0.378 0.00 .13 .16-.07 .45 .31 .19 128.000 69 17 56 30 1.4 23353.386 42.31 11.63 0.111 0.003 4.3 0.000 0.228 0.00 .11 .10-.04 .37 .30 .12 160.000 75 21 55 41 1.3 33833.521 51.74 12.12 0.112 0.000 5.3 0.000 0.228 0.00 .07 .13-.03 .24 .29 .11 192.000 101 33 73 61 1.0 41937.561 60.79 12.70 0.106 0.001 5.4 0.000 0.214 0.00 .10 .09-.02 .20 .38 .11 224.000 115 47 83 79 1.7 57332.125 77.75 13.34 0.089 0.005 6.7 0.000 0.196 0.00 .14 .10-.02 .18 .19 .11 256.000 97 43 71 69 0.0 81609.503 107.99 14.01 0.082 0.005 8.7 0.000 0.193 0.00-.04 .10-.04 .10 .17 .09 288.000 67 29 53 43 1.5 107093.02 150.98 15.15 0.139 0.005 21.3 0.000 0.277 0.00-.02 .07-.03 .09 .17 .08 320.000 40 18 30 28 0.0 134899.66 192.96 15.19 0.120 -0.009 23.1 0.000 0.242 0.00 .02 .06-.02 .11 .12 .14 352.000 20 5 17 8 0.0 147416.04 236.80 14.42 0.110 -0.022 26.3 0.000 0.249 0.00 .01 .02-.05 .13 .09 .12 384.000 7 1 6 2 0.0 92112.186 240.00 13.60 0.468 0.000 84.9 0.000 0.637 0.00 .06-.03 .02 .16 .12 .12 416.000 7 1 6 2 0.0 119242.91 360.28 12.83 0.277 0.000 62.4 0.000 0.433 0.00-.19-.18-.03 .24 .25 .16 448.000 1 0 1 0 0.0 211650.00 521.31 11.71 0.000 0.000 0.0 0.000 0.000 0.00 .09-.14-.41 .09 .14 .41 480.000 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_03.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25 0 25 0 0.0 35783.500 61.95 11.16 0.000 0.000 0.0 0.000 0.000 0.00 .15 .22-.01 .34 .49 .10 32.000 41 0 41 0 0.0 56263.037 95.30 11.60 0.000 0.000 0.0 0.000 0.000 0.00 .28 .22-.03 .86 .55 .13 64.000 59 10 59 10 0.0 59389.371 92.53 12.19 0.132 0.053 17.3 0.000 0.263 0.00 .23 .12-.05 .59 .30 .25 96.000 89 43 89 43 0.0 64693.256 97.35 13.00 0.110 0.040 11.4 0.000 0.219 0.00 .09 .05-.01 .29 .14 .11 128.000 109 74 109 74 0.9 63812.302 88.81 13.92 0.103 0.026 10.7 0.000 0.207 0.00 .15 .07-.04 .65 .14 .12 160.000 114 70 114 70 2.6 65891.474 93.76 14.30 0.088 -0.001 8.7 0.000 0.177 0.00 .01 .09-.03 .22 .14 .12 192.000 96 70 96 70 1.0 64897.189 96.52 13.58 0.116 -0.034 10.6 0.000 0.232 0.00 .04 .11-.03 .27 .18 .14 224.000 72 54 72 54 0.0 54443.857 86.78 12.75 0.110 -0.021 9.4 0.000 0.221 0.00 .12 .13-.02 .81 .33 .22 256.000 49 34 49 34 2.0 53537.927 95.75 11.97 0.146 -0.028 8.6 0.000 0.293 0.00 .06 .15-.04 .44 .34 .11 288.000 39 26 39 26 0.0 45960.514 85.09 11.45 0.153 -0.077 10.8 0.000 0.305 0.00 .36-.06-.08 1.1 .66 .13 320.000 12 9 12 9 0.0 41073.525 83.31 11.31 0.188 -0.155 12.9 0.000 0.376 0.00 .16-.34-.15 .42 1.0 .24 352.000 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_03.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 23 21 23 21 0.0 56818.851 83.87 12.87 0.085 -0.025 7.1 0.000 0.171 0.00 .06 .15-.06 .16 .22 .10 30.000 73 55 73 55 2.7 59844.669 90.19 13.22 0.140 -0.069 10.8 0.000 0.281 0.00 .01 .16-.01 .14 .23 .09 60.000 118 89 116 91 0.8 69698.580 96.70 13.93 0.095 -0.017 9.0 0.000 0.190 0.00 .03 .10-.03 .17 .36 .12 90.000 121 84 116 89 0.8 72323.801 102.54 14.05 0.098 -0.004 9.2 0.000 0.193 0.00 .06 .06-.04 .22 .18 .12 120.000 108 70 104 74 1.9 60459.692 89.76 13.30 0.120 0.038 10.3 0.000 0.240 0.00 .04 .07-.04 .26 .21 .12 150.000 93 42 91 44 0.0 59832.073 93.54 12.69 0.116 0.043 11.9 0.000 0.233 0.00 .09 .05-.02 .29 .16 .18 180.000 67 9 66 10 0.0 51231.346 87.67 11.94 0.175 0.010 25.1 0.000 0.357 0.00 .03 .07-.05 .31 .23 .15 210.000 61 4 60 5 0.0 38692.526 78.46 11.42 0.205 -0.005 17.4 0.000 0.457 0.00 .24 .03-.04 .81 .45 .15 240.000 26 1 26 1 0.0 45067.827 75.88 11.10 0.300 -0.003 7.0 0.000 0.599 0.00 1.0 .12-.10 2.0 .74 .20 270.000 15 0 15 0 0.0 18623.867 40.64 10.79 0.000 0.000 0.0 0.000 0.000 0.00 1.0 .54-.05 1.8 .96 .45 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 69 53 69 53 0.0 28558.583 52.69 11.51 0.146 -0.054 7.0 0.000 0.292 0.00 .27-.01-.05 .94 .70 .14 2.000 31 16 31 16 3.2 94779.308 173.02 12.10 0.172 -0.062 20.1 0.000 0.344 0.00-.00 .07-.10 .16 .24 .14 3.000 397 124 336 185 1.3 37510.485 58.60 12.36 0.092 0.010 5.3 0.000 0.206 0.00 .18 .13-.03 .64 .30 .17 4.000 208 76 148 136 0.0 106676.15 148.25 14.86 0.113 0.006 17.2 0.000 0.238 0.00-.02 .06-.03 .10 .14 .10 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 225 148 198 175 1.3 69088.201 97.73 13.62 0.100 -0.030 9.2 0.000 0.212 0.00 .03 .12-.03 .16 .30 .11 2.000 10 4 10 4 0.0 153948.36 286.97 13.08 0.140 0.025 35.6 0.000 0.280 0.00 .07-.01-.16 .24 .23 .20 3.000 3 1 3 1 0.0 98489.300 207.13 11.50 0.209 -0.194 58.3 0.000 0.419 0.00-.05-.08-.11 .08 .12 .14 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 7 7 7 7 0.0 22208.786 42.42 11.22 0.100 -0.100 4.6 0.000 0.201 0.00 .19-.05-.06 .30 .38 .10 6.000 65 26 58 33 0.0 16220.473 35.10 11.20 0.139 0.012 4.8 0.000 0.276 0.00 .40-.02-.06 1.3 .61 .27 7.000 167 49 165 51 1.2 27703.632 47.38 11.81 0.101 0.009 4.4 0.000 0.213 0.00 .22 .15-.04 .78 .36 .19 8.000 170 85 170 85 0.6 68253.870 92.65 13.22 0.110 0.043 10.0 0.000 0.221 0.00 .09 .08-.03 .18 .21 .10 9.000 58 25 49 34 0.0 123616.36 200.56 15.72 0.131 -0.006 27.7 0.000 0.239 0.00-.02 .00-.02 .10 .09 .08 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.220 39 10 39 10 0.0 51482.267 84.40 12.60 0.049 0.013 5.6 0.000 0.099 0.00 .39-.12-.01 1.3 .50 .19 5.944 32 9 32 9 0.0 67610.119 100.25 12.90 0.150 0.032 13.0 0.000 0.299 0.00 .08-.12-.03 .28 .60 .13 9.667 35 16 35 16 0.0 77056.383 116.23 13.05 0.128 0.052 16.9 0.000 0.255 0.00 .04-.05-.01 .20 .15 .09 13.391 30 13 30 13 0.0 41571.867 70.19 12.60 0.123 0.044 6.9 0.000 0.246 0.00 .02-.03 .03 .38 .13 .08 17.114 35 15 35 15 0.0 68055.431 105.75 13.22 0.086 -0.007 10.8 0.000 0.172 0.00 .01-.04 .02 .12 .09 .06 20.838 36 18 36 18 2.8 36602.256 68.41 12.66 0.245 -0.124 17.9 0.000 0.490 0.00 .02-.06 .01 .27 .17 .14 24.561 37 19 37 19 2.7 50530.411 90.76 13.10 0.103 -0.056 10.6 0.000 0.206 0.00 .29 .06-.00 .92 .50 .14 28.285 38 22 38 22 0.0 59187.061 94.41 12.97 0.086 0.033 8.1 0.000 0.172 0.00 .16 .06-.06 .44 .25 .12 32.008 33 18 33 18 0.0 68492.485 108.70 13.23 0.113 0.023 9.0 0.000 0.226 0.00 .10 .14-.06 .20 .22 .18 35.732 43 28 43 28 2.3 60681.539 93.89 13.03 0.107 0.030 8.8 0.000 0.214 0.00 .25 .23-.09 .95 .29 .15 39.455 31 22 31 22 0.0 74661.064 102.86 13.64 0.115 0.044 10.9 0.000 0.230 0.00 .12 .25-.09 .29 .32 .13 43.179 35 20 35 20 0.0 58785.446 84.44 12.93 0.122 0.041 11.7 0.000 0.244 0.00 .34 .31-.13 .66 .42 .28 46.902 31 23 31 23 0.0 70948.274 95.39 13.34 0.076 0.003 6.5 0.000 0.153 0.00 .15 .25-.11 .27 .30 .16 50.626 37 27 37 27 0.0 57730.266 90.08 12.98 0.117 -0.016 12.2 0.000 0.234 0.00 .07 .18-.04 .37 .23 .13 54.349 30 21 30 21 6.7 50610.311 77.43 12.71 0.078 -0.014 6.3 0.000 0.156 0.00 .24 .04-.06 .95 .51 .12 58.073 29 18 29 18 3.4 43816.641 64.95 12.58 0.097 -0.023 7.0 0.000 0.194 0.00 .07 .15-.06 .19 .28 .14 61.796 43 28 43 28 0.0 76100.068 109.57 13.63 0.117 -0.006 11.0 0.000 0.234 0.00-.06 .12-.01 .41 .19 .10 65.520 39 24 39 24 0.0 60524.258 87.33 13.10 0.120 -0.038 11.0 0.000 0.241 0.00 .04 .23-.02 .30 .35 .09 69.243 39 21 39 21 0.0 50677.795 79.52 12.77 0.136 -0.065 10.4 0.000 0.272 0.00-.01 .12-.00 .39 .24 .26 72.967 33 18 33 18 0.0 63031.897 92.48 12.90 0.107 -0.040 11.2 0.000 0.214 0.00 .10 .10-.02 .37 .25 .14 76.690 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.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 64 16 63 17 0.0 57731.605 90.46 12.75 0.093 0.025 9.7 0.000 0.185 0.00 .25-.13-.02 1.0 .58 .17 70.000 90 35 85 40 0.0 61633.937 98.31 12.95 0.119 0.028 12.2 0.000 0.240 0.00 .04-.04 .01 .28 .13 .08 80.000 92 41 90 43 2.2 51309.577 88.57 12.92 0.132 -0.051 13.2 0.000 0.269 0.00 .13-.01 .00 .61 .34 .13 90.000 105 58 100 63 1.0 60761.898 97.39 13.04 0.098 0.029 8.3 0.000 0.198 0.00 .17 .15-.07 .66 .26 .15 100.000 89 57 86 60 0.0 65025.387 91.58 13.26 0.111 0.029 10.4 0.000 0.227 0.00 .24 .28-.12 .48 .36 .21 110.000 86 56 81 61 3.5 58382.588 87.60 12.94 0.098 -0.003 9.1 0.000 0.204 0.00 .14 .13-.06 .62 .36 .13 120.000 98 55 92 61 0.0 61837.148 90.23 13.23 0.118 -0.014 10.0 0.000 0.234 0.00-.01 .15-.02 .33 .24 .10 130.000 81 40 76 45 0.0 58993.113 87.76 12.82 0.114 -0.055 10.6 0.000 0.247 0.00 .05 .13-.01 .37 .29 .20 140.000 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_03.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.000 67 16 66 17 0.0 60186.505 94.07 12.76 0.093 0.023 9.7 0.000 0.185 0.00 .26-.12-.02 .99 .56 .17 2.050 65 26 63 28 0.0 61955.775 96.34 12.81 0.125 0.046 12.2 0.000 0.250 0.00 .05-.05 .01 .29 .15 .09 2.100 49 20 49 20 0.0 58690.102 94.43 13.02 0.098 -0.003 10.9 0.000 0.197 0.00 .02-.04 .02 .18 .12 .06 2.150 66 35 65 36 3.0 45894.596 84.75 12.99 0.148 -0.087 13.7 0.000 0.296 0.00 .15 .01 .00 .71 .39 .15 2.200 85 47 83 49 0.0 63480.705 100.23 13.02 0.095 0.031 8.4 0.000 0.190 0.00 .14 .13-.07 .34 .26 .16 2.250 65 42 64 43 1.5 61848.581 93.16 13.29 0.122 0.042 11.4 0.000 0.245 0.00 .23 .25-.07 .79 .31 .13 2.300 61 41 60 42 0.0 69681.643 92.64 13.21 0.087 0.015 7.5 0.000 0.174 0.00 .26 .27-.13 .57 .36 .24 2.350 52 36 51 37 1.9 54307.152 85.15 12.89 0.118 -0.020 11.3 0.000 0.237 0.00 .03 .15-.04 .20 .22 .11 2.400 60 38 58 40 3.3 55360.990 85.48 13.07 0.121 -0.027 10.1 0.000 0.240 0.00 .09 .10-.05 .74 .41 .12 2.450 91 47 85 53 0.0 60754.836 88.77 13.00 0.109 -0.022 9.0 0.000 0.221 0.00 .01 .16-.01 .35 .28 .19 2.500 44 24 43 25 0.0 60990.984 88.99 12.99 0.111 -0.053 11.0 0.000 0.231 0.00 .08 .10-.02 .33 .24 .13 2.550 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.600 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 2.650 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 2.700 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 2.750 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 2.800 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 2.850 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 2.900 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 2.950 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 3.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 4.000 705 195 510 390 0.9 59558.868 91.64 13.00 0.111 0.000 10.3 0.000 0.234 0.00 .12 .09-.04 .57 .33 .15 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2 2 2 2100.0 83.919 0.56 12.76 6.828 -6.828 3.8 0.00013.657 0.00-.42-.24 .20 .52 .24 .27 0.100 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 0.200 4 2 3 3 50.0 392.870 2.19 12.77 0.315 -0.085 0.5 0.000 0.646 0.00 .13 .20 .33 .85 .31 .46 0.300 7 4 7 4 14.3 33592.966 59.51 13.11 0.129 -0.066 6.1 0.000 0.258 0.00 .22 .11-.13 .40 .16 .23 0.400 41 25 39 27 2.4 41484.417 65.46 13.30 0.068 0.028 4.0 0.000 0.136 0.00 .18 .17-.06 1.0 .23 .12 0.500 71 41 68 44 0.0 43846.517 65.93 12.98 0.077 0.009 5.2 0.000 0.157 0.00 .12 .10-.03 .33 .21 .09 0.600 112 58 106 64 0.0 46103.338 70.85 13.12 0.118 -0.036 9.0 0.000 0.240 0.00 .07 .12-.04 .29 .22 .11 0.700 107 63 103 67 0.0 57937.162 90.21 13.09 0.127 0.019 11.5 0.000 0.242 0.00 .14 .13-.02 .72 .44 .19 0.800 222 101 198 125 0.0 54820.785 84.54 12.76 0.110 -0.003 9.9 0.000 0.216 0.00 .16 .06-.05 .66 .41 .18 0.900 139 44 129 54 0.0 96439.451 141.90 13.16 0.115 0.003 19.6 0.000 0.226 0.00 .08 .06-.03 .30 .20 .09 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 689 195 496 388 0.9 60325.698 92.45 13.05 0.111 0.000 10.3 0.000 0.234 0.00 .09 .10-.03 .43 .25 .14 0.050 2 1 2 1 0.0 8727.250 24.48 11.19 0.135 -0.102 4.3 0.000 0.270 0.00 .14 .25 .01 .16 .29 .01 0.100 2 0 2 0 0.0 16579.600 61.91 12.17 0.000 0.000 0.0 0.000 0.000 0.00 2.0-1.3-.02 3.0 1.7 .02 0.150 3 0 3 0 0.0 33422.366 64.61 11.24 0.000 0.000 0.0 0.000 0.000 0.00 .03 .15-.16 .39 .56 .22 0.200 1 1 1 1 0.0 10143.000 23.36 10.80 0.300 -0.300 7.0 0.000 0.599 0.00 5.0-2.5-.29 5.0 2.5 .29 0.250 3 0 3 0 0.0 33937.733 53.75 11.07 0.000 0.000 0.0 0.000 0.000 0.00 .83 .75-.19 1.1 .89 .21 0.300 1 0 1 0 0.0 17133.000 30.37 10.82 0.000 0.000 0.0 0.000 0.000 0.00 3.4 1.5-1.5 3.4 1.5 1.5 0.350 1 0 1 0 0.0 32682.000 45.56 10.67 0.000 0.000 0.0 0.000 0.000 0.00 1.5 .76 .05 1.5 .76 .05 0.400 0 0 0 0 0.0 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 1 0 1 0 0.0 88047.297 82.77 11.30 0.000 0.000 0.0 0.000 0.000 0.00-.04 .49-.09 .04 .49 .09 0.500 1 0 1 0 0.0 19639.600 29.41 10.70 0.000 0.000 0.0 0.000 0.000 0.00 6.0-1.5-.71 6.0 1.5 .71 0.550 1 0 1 0 0.0 4257.600 8.98 11.31 0.000 0.000 0.0 0.000 0.000 0.00 1.1-3.3-.65 1.1 3.3 .65 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_03.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 13 31 14 0.0 37871.501 79.02 13.01 0.162 -0.013 5.4 0.000 0.324 0.00 .13 .08-.05 .38 .26 .15 0.050 25 15 25 15 4.0 44239.711 74.02 12.79 0.094 -0.007 6.8 0.000 0.189 0.00 .11 .06-.02 .32 .28 .12 0.100 26 13 25 14 3.8 37924.653 64.49 12.80 0.138 -0.050 8.9 0.000 0.278 0.00 .30 .20-.08 .74 .38 .32 0.150 32 16 32 16 0.0 33770.849 62.56 13.11 0.090 -0.005 7.7 0.000 0.181 0.00 .09 .06-.07 .36 .32 .16 0.200 31 16 31 16 0.0 58362.410 93.17 12.62 0.125 -0.040 10.2 0.000 0.249 0.00 .08 .07-.00 .69 .30 .10 0.250 35 19 34 20 0.0 80636.169 114.40 13.31 0.066 0.007 6.7 0.000 0.138 0.00 .11 .11-.03 .30 .19 .19 0.300 53 31 51 33 0.0 70206.847 99.91 13.50 0.097 -0.022 13.9 0.000 0.177 0.00 .15 .09-.05 .33 .52 .13 0.350 41 23 39 25 2.4 86798.533 114.98 13.28 0.119 0.033 12.3 0.000 0.237 0.00 .22 .11-.00 .85 .49 .17 0.400 47 21 46 22 0.0 73084.857 102.07 12.63 0.076 0.014 7.8 0.000 0.148 0.00 .17 .11-.06 .51 .28 .12 0.450 40 19 40 19 0.0 54137.507 86.34 12.69 0.161 0.010 15.7 0.000 0.322 0.00 .06 .06-.02 .19 .16 .07 0.500 38 16 37 17 0.0 50764.825 85.20 12.50 0.133 -0.004 12.0 0.000 0.267 0.00 .06 .13-.06 .20 .26 .12 0.550 30 14 29 15 0.0 75395.360 101.26 12.76 0.140 0.006 16.9 0.000 0.275 0.00 .05 .12-.03 .20 .21 .09 0.600 43 23 41 25 0.0 79765.112 103.59 13.43 0.116 0.008 11.5 0.000 0.233 0.00 .06 .09-.02 .29 .22 .08 0.650 34 19 33 20 0.0 63864.094 95.55 13.26 0.074 0.028 9.3 0.000 0.160 0.00 .09 .15-.06 .24 .27 .09 0.700 42 22 42 22 0.0 42804.615 68.90 12.53 0.168 0.070 10.1 0.000 0.336 0.00 .28 .10-.02 1.2 .48 .12 0.750 27 18 27 18 0.0 59306.693 88.63 13.80 0.188 -0.068 15.6 0.000 0.376 0.00 .17-.00-.05 .82 .48 .07 0.800 33 23 33 23 0.0 36235.191 59.67 12.31 0.139 -0.000 7.5 0.000 0.279 0.00-.02 .12-.03 .27 .26 .11 0.850 31 10 31 10 0.0 52038.488 94.04 12.82 0.081 -0.025 7.7 0.000 0.161 0.00-.01 .05 .01 .21 .18 .15 0.900 33 21 32 22 3.0 69336.160 104.09 13.17 0.085 -0.018 8.6 0.000 0.168 0.00 .27 .04-.04 1.1 .31 .33 0.950 32 23 31 24 6.2 56387.368 89.43 13.69 0.107 -0.005 7.5 0.000 0.222 0.00 .02 .08-.01 .25 .15 .13 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.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 2109.373 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4218.746 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8437.492 9 6 9 6 11.1 5245.198 17.41 14.29 0.101 0.000 2.3 0.000 0.202 0.00 .06 .03-.01 .13 .12 .22 16874.984 201 97 161 137 2.0 24847.138 46.54 13.42 0.119 0.003 5.2 0.000 0.243 0.00 .05 .08-.02 .19 .14 .11 33749.969 298 114 255 157 0.3 52620.705 75.80 12.74 0.104 0.001 9.1 0.000 0.222 0.00 .07 .11-.04 .28 .23 .15 67499.938 141 49 132 58 0.0 70058.459 105.58 12.43 0.136 -0.031 17.3 0.000 0.291 0.00 .30 .15-.05 .97 .49 .18 134999.875 48 21 38 31 0.0 192550.62 219.92 14.47 0.094 0.036 25.1 0.000 0.217 0.00 .27-.12-.05 1.1 .65 .16 269999.750 4 1 4 1 0.0 237970.75 296.56 12.27 0.209 -0.060 58.3 0.000 0.419 0.00-.07-.13-.20 .29 .31 .23 539999.500 4 0 4 0 0.0 298498.75 474.94 12.45 0.000 0.000 0.0 0.000 0.000 0.00 .06-.06-.11 .24 .14 .24 1079999.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.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 1.893 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.786 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.679 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.572 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.465 125 22 118 29 0.0 19200.759 40.49 11.06 0.162 -0.007 5.3 0.000 0.331 0.00 .48 .09-.07 1.3 .68 .28 11.358 325 108 273 160 1.2 47888.756 75.82 12.20 0.128 -0.013 7.7 0.000 0.267 0.00 .05 .11-.03 .20 .21 .11 13.251 166 90 125 131 1.2 74053.872 99.07 14.09 0.093 0.016 9.1 0.000 0.205 0.00 .05 .09-.02 .15 .14 .10 15.144 57 30 40 47 0.0 123937.64 161.24 16.04 0.133 -0.000 22.8 0.000 0.263 0.00-.02 .05-.03 .10 .12 .12 17.037 32 14 23 23 0.0 145864.79 181.40 17.71 0.079 0.003 15.2 0.000 0.145 0.00 .02 .06-.06 .09 .09 .08 18.930 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 0 0.0 900.509 4.42 10.88 0.000 0.000 0.0 0.000 0.000 0.00-2.2 .67 .03 2.2 .67 .03 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 1 1 1 0.0 3018.500 11.33 10.96 0.284 0.284 3.2 0.000 0.569 0.00-1.0 .74 .23 1.0 .74 .23 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 3 1 3 1 0.0 9264.767 25.20 11.31 0.010 -0.006 0.4 0.000 0.021 0.00-.82 .30 .17 .82 .40 .20 -0.780 3 3 3 3 66.7 681.847 3.16 12.32 1.186 -1.186 3.5 0.000 2.372 0.00-.73 .11 .22 .73 .25 .29 -0.660 4 2 4 2 0.0 17278.500 36.39 11.05 0.080 0.044 3.0 0.000 0.160 0.00-.57 .28 .06 .57 .49 .09 -0.540 4 1 4 1 0.0 9605.800 34.35 11.08 0.320 0.038 5.1 0.000 0.640 0.00-.48-.08 .33 .48 .32 .79 -0.420 12 8 12 8 8.3 15042.733 34.63 12.06 0.145 0.017 4.8 0.000 0.289 0.00-.35 .21 .17 .35 .28 .26 -0.300 26 11 26 11 0.0 34233.708 71.62 12.16 0.197 -0.030 7.7 0.000 0.394 0.00-.22 .04 .04 .22 .27 .13 -0.180 109 46 97 58 0.9 70815.298 107.82 13.67 0.105 0.003 12.1 0.000 0.210 0.00-.11 .06-.01 .12 .16 .09 -0.060 211 99 192 118 0.0 70623.527 101.96 13.26 0.111 -0.007 12.2 0.000 0.234 0.00-.00 .08-.02 .04 .16 .08 0.060 172 92 149 115 0.0 69795.060 97.97 13.47 0.114 0.002 11.3 0.000 0.241 0.00 .11 .11-.04 .12 .18 .10 0.180 73 31 66 38 1.4 51361.653 74.06 12.60 0.106 0.016 6.7 0.000 0.217 0.00 .23 .13-.09 .24 .20 .12 0.300 36 21 35 22 0.0 46983.441 74.92 12.40 0.075 0.023 5.2 0.000 0.164 0.00 .35 .16-.12 .35 .25 .14 0.420 10 4 10 4 0.0 18508.290 37.62 11.36 0.293 -0.064 7.8 0.000 0.586 0.00 .49-.05-.17 .49 .35 .21 0.540 6 2 6 2 0.0 8304.833 21.71 11.29 0.045 0.008 0.9 0.000 0.090 0.00 .61 .22-.13 .61 .69 .15 0.660 8 2 8 2 0.0 20929.925 42.34 11.24 0.114 -0.012 3.5 0.000 0.228 0.00 .71 .33-.18 .71 .53 .19 0.780 3 0 3 0 0.0 18445.200 39.30 10.95 0.000 0.000 0.0 0.000 0.000 0.00 .82 .67-.17 .82 .69 .41 0.900 4 1 4 1 25.0 7352.848 22.89 11.28 2.615 -0.037 5.0 0.000 5.230 0.00 .97-.21-.18 .97 .39 .23 1.020 1 0 1 0 0.0 4257.600 8.98 11.31 0.000 0.000 0.0 0.000 0.000 0.00 1.1-3.3-.65 1.1 3.3 .65 1.140 2 0 2 0 0.0 27322.449 49.58 10.84 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .67-.17 1.2 .69 .19 1.260 1 0 1 0 0.0 4327.000 14.52 11.18 0.000 0.000 0.0 0.000 0.000 0.00 1.3 .89-.26 1.3 .89 .26 1.380 15 3 15 3 0.0 10720.174 26.43 10.86 0.310 -0.023 3.7 0.000 0.620 0.00 3.1-.17-.26 3.5 1.4 .52 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 1 4 1 0.0 10525.725 21.70 10.88 0.300 -0.072 7.0 0.000 0.599 0.00 4.1-2.4-.42 4.5 2.5 .50 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 0 1 0 0.0 5120.500 11.40 10.99 0.000 0.000 0.0 0.000 0.000 0.00 2.2-1.1-.15 2.2 1.1 .15 -1.020 1 0 1 0 0.0 17440.900 39.10 10.72 0.000 0.000 0.0 0.000 0.000 0.00 2.3-1.0-.31 2.3 1.0 .31 -0.900 1 1 1 1 0.0 1039.900 4.39 11.35 0.791 -0.791 3.5 0.000 1.581 0.00 1.4-.79-.30 1.4 .79 .30 -0.780 1 0 1 0 0.0 3611.500 12.62 11.30 0.000 0.000 0.0 0.000 0.000 0.00 .96-.70-.31 .96 .70 .31 -0.660 2 0 2 0 0.0 11926.750 51.60 11.35 0.000 0.000 0.0 0.000 0.000 0.00-.30-.62-.08 .37 .62 .30 -0.540 3 2 3 2 0.0 10318.433 25.07 11.14 0.473 -0.277 10.6 0.000 0.946 0.00 .48-.50-.08 .48 .50 .11 -0.420 10 4 9 5 10.0 12356.425 31.68 11.35 0.187 -0.007 3.6 0.000 0.264 0.00 .28-.36-.03 .46 .36 .12 -0.300 12 4 12 4 0.0 11170.165 31.71 11.39 0.148 0.026 2.6 0.000 0.296 0.00 .20-.25-.01 .68 .25 .11 -0.180 74 26 73 27 2.7 65551.368 118.05 12.83 0.133 -0.004 20.4 0.000 0.258 0.00 .05-.11-.01 .19 .11 .12 -0.060 199 83 180 102 0.5 65676.353 101.74 13.51 0.108 0.018 11.7 0.000 0.220 0.00 .00 .01-.00 .16 .04 .08 0.060 195 100 172 123 0.5 69430.072 98.07 13.64 0.095 0.012 8.3 0.000 0.203 0.00 .05 .11-.03 .22 .12 .15 0.180 110 69 103 76 0.0 63631.182 84.37 12.79 0.119 -0.035 9.8 0.000 0.245 0.00 .11 .23-.06 .26 .24 .14 0.300 49 32 48 33 2.0 38116.738 60.37 11.92 0.143 -0.042 9.4 0.000 0.280 0.00 .15 .35-.08 .41 .35 .15 0.420 18 8 18 8 0.0 39279.862 62.96 11.50 0.092 -0.032 7.9 0.000 0.183 0.00 .24 .47-.02 .55 .47 .26 0.540 9 5 9 5 0.0 33401.489 59.36 11.40 0.165 -0.052 9.4 0.000 0.330 0.00-.00 .57-.03 .48 .58 .12 0.660 9 3 9 3 0.0 16688.412 38.61 11.07 0.217 -0.029 6.2 0.000 0.433 0.00 .55 .71-.00 2.2 .71 .18 0.780 3 0 3 0 0.0 24768.199 47.76 10.91 0.000 0.000 0.0 0.000 0.000 0.00 1.1 .86-.20 1.1 .86 .21 0.900 1 0 1 0 0.0 16481.699 34.70 11.25 0.000 0.000 0.0 0.000 0.000 0.00 .67 .93-.25 .67 .93 .25 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 3 0 3 0 0.0 10742.900 25.13 10.91 0.000 0.000 0.0 0.000 0.000 0.00 3.0 1.9-.68 3.5 2.0 .89 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.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 17133.000 30.37 10.82 0.000 0.000 0.0 0.000 0.000 0.00 3.4 1.5-1.5 3.4 1.5 1.5 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 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 1 0 1 0 0.0 19639.600 29.41 10.70 0.000 0.000 0.0 0.000 0.000 0.00 6.0-1.5-.71 6.0 1.5 .71 -0.660 2 0 2 0 0.0 5098.200 12.56 11.24 0.000 0.000 0.0 0.000 0.000 0.00 .93-1.4-.65 .94 2.4 .66 -0.540 3 1 3 1 33.3 2315.717 9.22 11.98 3.208 -0.178 5.7 0.000 6.417 0.00 .22-.01-.47 .34 .11 .47 -0.420 12 4 12 4 8.3 26640.991 75.79 11.49 0.183 -0.005 3.0 0.000 0.367 0.00 1.1 .17-.35 1.8 .95 .35 -0.300 34 19 33 20 0.0 45449.605 82.75 12.31 0.155 -0.039 7.5 0.000 0.310 0.00 .51 .09-.23 1.0 .58 .23 -0.180 211 105 185 131 0.0 65043.848 96.26 13.27 0.119 0.001 11.5 0.000 0.236 0.00 .19 .15-.10 .52 .26 .11 -0.060 344 140 301 183 0.3 62171.363 90.80 13.08 0.106 0.002 11.0 0.000 0.213 0.00 .04 .07-.01 .33 .23 .03 0.060 77 36 74 39 0.0 62548.620 99.77 12.81 0.093 0.002 7.3 0.000 0.183 0.00-.05 .02 .10 .17 .17 .10 0.180 10 6 10 6 0.0 9111.660 26.66 11.70 0.094 -0.028 3.1 0.000 0.189 0.00-.27 .27 .24 .58 .47 .24 0.300 4 4 4 4 75.0 330.508 1.77 13.39 1.022 -0.520 1.8 0.000 2.044 0.00-.51 .06 .37 .56 .21 .37 0.420 3 0 3 0 0.0 9617.833 23.73 12.04 0.000 0.000 0.0 0.000 0.000 0.00-.13 .09 .44 .29 .13 .44 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 2 1 2 1 0.0 8373.456 37.61 13.46 0.098 0.094 5.2 0.000 0.196 0.00 .58 .37 .74 1.1 .38 .74 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 1 1 1 1 0.0 4624.000 15.93 11.10 0.320 0.320 5.1 0.000 0.640 0.00-.45 .11 1.4 .45 .11 1.4 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 315 0 315 0 0.0 48237.588 81.09 12.29 0.000 0.000 0.0 0.000 0.000 0.00 .19 .07-.04 .76 .40 .17 1.000 390 195 195 390 1.5 68702.979 98.94 13.58 0.111 0.000 10.3 0.000 0.234 0.00 .07 .11-.03 .35 .25 .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 0 0 0 0 0.0 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_03.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 705 195 510 390 0.9 59558.868 91.64 13.00 0.111 0.000 10.3 0.000 0.234 0.00 .12 .09-.04 .57 .33 .15 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_03.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 109 34 75 68 0.0 129647.68 196.26 15.51 0.124 0.000 24.2 0.000 0.263 0.00-.00 .03-.03 .13 .13 .12 1.860 101 34 67 68 1.0 91502.443 123.01 14.00 0.103 0.000 12.5 0.000 0.218 0.00-.04 .08-.03 .09 .15 .09 1.477 90 30 60 60 0.0 64481.318 85.30 13.31 0.101 0.000 8.5 0.000 0.217 0.00 .10 .11-.04 .16 .19 .09 1.291 83 27 56 54 2.4 45991.194 67.34 13.00 0.077 0.000 4.8 0.000 0.159 0.00 .12 .10-.02 .18 .20 .13 1.173 73 21 52 42 1.4 40665.421 59.76 12.52 0.123 0.000 6.2 0.000 0.262 0.00 .09 .07-.02 .21 .44 .11 1.089 63 19 44 38 1.6 35983.473 53.44 12.13 0.112 0.000 5.7 0.000 0.230 0.00 .07 .17-.03 .23 .31 .11 1.025 67 15 52 30 1.5 24829.934 43.58 11.69 0.122 0.000 4.5 0.000 0.250 0.00 .10 .07-.04 .32 .27 .11 0.973 43 7 36 14 0.0 19835.161 39.12 11.34 0.193 0.000 6.7 0.000 0.400 0.00 .09 .15-.04 .42 .35 .15 0.931 43 6 37 12 0.0 17927.064 38.34 11.12 0.049 0.000 1.8 0.000 0.098 0.00 .10 .12-.05 .53 .29 .30 0.895 33 2 31 4 0.0 14307.710 33.33 10.85 0.154 0.000 5.1 0.000 0.365 0.00 1.4 .08-.11 2.4 .98 .36 0.864 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 17 8 12 13 35.3 451.495 2.59 13.73 0.902 -0.410 2.1 0.000 3.116 0.00 .07 .02 .02 .53 .21 .33 791.947 12 4 11 5 0.0 1255.131 5.88 12.47 0.416 -0.124 2.4 0.000 0.826 0.00 .34 .20-.10 1.9 .44 .20 1583.895 25 14 22 17 0.0 2441.764 9.40 12.26 0.389 -0.088 4.1 0.000 0.932 0.00 .13 .05-.01 .56 .23 .16 3167.789 50 15 44 21 0.0 4743.078 14.95 12.36 0.274 -0.053 3.9 0.000 0.696 0.00 .29 .01-.03 .86 .69 .29 6335.578 62 21 56 27 0.0 9075.858 24.59 11.89 0.253 -0.044 6.7 0.000 0.616 0.00 .29-.05-.04 .94 .52 .13 12671.156 125 40 109 56 0.0 17853.462 37.67 12.17 0.164 -0.010 6.1 0.000 0.395 0.00 .16 .11-.04 .73 .33 .20 25342.312 143 55 120 78 0.0 36893.680 57.16 12.75 0.156 -0.027 11.2 0.000 0.366 0.00 .08 .14-.04 .25 .25 .09 50684.625 143 55 116 82 0.0 70971.797 87.15 13.46 0.112 0.006 11.5 0.000 0.264 0.00 .05 .12-.03 .16 .20 .08 101369.250 83 38 62 59 0.0 133210.67 126.00 13.99 0.104 -0.016 13.7 0.000 0.257 0.00 .05 .12-.03 .14 .17 .08 202738.500 45 20 33 32 0.0 275387.38 239.74 15.39 0.088 0.027 20.9 0.000 0.208 0.00 .03 .04-.04 .12 .11 .11 405477.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 5 5 5 5100.0 208.975 1.15 13.27 2.480 -2.480 2.9 0.000 4.959 0.00-.35-.03 .13 .50 .24 .35 1.880 7 5 7 5 14.3 468.050 2.50 13.53 0.748 -0.368 1.7 0.000 1.496 0.00 .15 .06-.13 .41 .16 .25 3.536 17 10 17 10 0.0 1161.017 5.36 12.86 0.478 -0.144 2.5 0.000 0.955 0.00 .38 .08 .01 1.6 .35 .25 6.648 35 18 30 23 0.0 2916.842 10.01 12.29 0.222 -0.024 2.3 0.000 0.531 0.00 .20-.05-.06 .65 .65 .21 12.500 65 22 61 26 0.0 6197.075 18.48 12.29 0.291 -0.062 5.9 0.000 0.654 0.00 .34 .02-.03 1.1 .61 .25 23.505 151 46 125 72 0.0 16503.509 34.53 11.85 0.166 -0.008 6.1 0.000 0.391 0.00 .17 .11-.05 .70 .34 .18 44.196 214 62 172 104 0.0 44660.340 62.68 12.75 0.117 -0.006 8.1 0.000 0.268 0.00 .09 .14-.03 .24 .23 .10 83.103 146 59 103 102 0.0 99925.257 110.30 14.06 0.106 -0.006 13.3 0.000 0.252 0.00 .03 .11-.03 .14 .17 .08 156.260 59 24 41 42 0.0 220833.05 220.76 15.41 0.102 0.013 26.0 0.000 0.230 0.00 .02 .04-.04 .10 .12 .09 293.818 6 1 6 1 0.0 298744.00 411.49 13.09 0.082 0.012 24.4 0.000 0.164 0.00 .10-.00-.10 .22 .14 .20 552.471 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 56 28 28 56 0.0 97659.789 112.24 13.94 0.012 0.000 1.2 0.000 0.024 0.00 .04 .15-.03 .20 .19 .10 0.030 55 32 32 55 0.0 82877.049 102.97 13.59 0.045 0.010 3.8 0.000 0.094 0.00 .10 .11-.04 .22 .21 .08 0.060 53 37 37 53 0.0 74723.488 97.35 13.43 0.073 0.003 6.2 0.000 0.149 0.00 .07 .16-.04 .15 .23 .09 0.090 38 35 35 38 0.0 74874.404 104.57 13.92 0.104 0.049 8.4 0.000 0.209 0.00 .06 .14-.01 .37 .21 .15 0.120 35 35 35 35 0.0 85876.951 111.19 13.97 0.136 0.011 11.8 0.000 0.272 0.00 .06 .08-.07 .15 .17 .12 0.150 27 27 27 27 0.0 68746.482 96.69 13.51 0.166 0.086 14.2 0.000 0.333 0.00 .08 .11-.06 .15 .18 .10 0.180 24 24 24 24 0.0 74902.905 108.23 13.41 0.198 0.037 17.0 0.000 0.396 0.00 .03 .12-.04 .09 .20 .09 0.210 19 19 19 19 0.0 41718.395 75.57 13.60 0.225 0.038 17.5 0.000 0.450 0.00 .01 .07-.04 .19 .19 .09 0.240 10 10 10 10 0.0 61916.231 95.98 12.51 0.252 0.020 17.5 0.000 0.504 0.00 .10 .22-.03 .16 .29 .08 0.270 15 15 15 15 6.7 41591.979 75.35 13.40 0.279 -0.138 16.7 0.000 0.559 0.00 .24-.02-.02 1.3 .72 .17 0.300 10 10 10 10 0.0 43508.377 87.58 13.37 0.315 -0.111 22.1 0.000 0.630 0.00-.09 .05 .16 .21 .12 .47 0.330 7 7 7 7 0.0 36259.585 76.44 13.91 0.345 -0.329 20.5 0.000 0.689 0.00-.00 .18-.00 .17 .20 .13 0.360 6 6 6 6 0.0 22104.416 49.10 13.14 0.377 -0.229 23.4 0.000 0.753 0.00 .03 .12-.09 .12 .21 .10 0.390 2 2 2 2 0.0 12752.850 32.68 12.08 0.413 -0.327 11.8 0.000 0.826 0.00 .16 .10 .05 .23 .17 .10 0.420 5 5 5 5 0.0 24244.538 63.44 14.84 0.443 -0.422 22.6 0.000 0.885 0.00 .01 .14-.07 .14 .18 .09 0.450 4 4 4 4 0.0 3951.850 14.96 12.38 0.464 -0.319 6.2 0.000 0.928 0.00 .14-.15 .00 .39 .21 .21 0.480 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.510 3 3 3 3 33.3 49576.584 96.95 13.76 0.517 -0.517 29.2 0.000 1.033 0.00-.10 .29 .02 .47 .30 .22 0.540 1 1 1 1 0.0 6110.300 18.04 12.66 0.545 -0.545 9.8 0.000 1.089 0.00-.21 .09 .19 .21 .09 .19 0.570 20 20 20 20 20.0 6364.553 24.24 12.79 0.814 -0.814 17.8 0.000 1.629 0.00 .12-.03-.07 .49 .29 .20 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 25 25 25 25 20.0 11627.556 39.10 12.89 0.646 -0.646 18.7 0.000 1.292 0.00 .08 .02-.05 .47 .28 .20 -0.460 5 5 5 5 0.0 24629.318 63.74 14.38 0.443 -0.443 23.1 0.000 0.887 0.00 .18 .04-.11 .35 .22 .11 -0.420 2 2 2 2 0.0 29973.799 89.45 12.85 0.394 -0.394 45.7 0.000 0.788 0.00-.07 .06-.03 .09 .19 .03 -0.380 7 7 7 7 0.0 42947.714 73.41 13.81 0.352 -0.352 23.2 0.000 0.703 0.00 .03 .19-.07 .16 .21 .11 -0.340 5 5 5 5 0.0 62242.881 106.90 13.25 0.317 -0.317 27.0 0.000 0.634 0.00-.04 .16 .02 .15 .21 .13 -0.300 10 10 10 10 10.0 48866.069 81.94 13.43 0.276 -0.276 18.1 0.000 0.553 0.00 .48-.11-.05 1.6 .84 .19 -0.260 9 9 9 9 0.0 52636.467 88.78 13.01 0.240 -0.240 21.0 0.000 0.479 0.00 .11 .20-.03 .14 .28 .06 -0.220 14 14 14 14 0.0 60495.764 90.77 12.43 0.204 -0.204 15.0 0.000 0.407 0.00-.02 .17-.04 .12 .21 .10 -0.180 13 13 13 13 0.0 68486.008 100.88 14.32 0.155 -0.155 13.4 0.000 0.309 0.00 .05 .08-.05 .12 .13 .07 -0.140 21 21 21 21 0.0 58221.160 90.53 13.52 0.126 -0.126 8.3 0.000 0.253 0.00 .05 .11-.06 .17 .22 .12 -0.100 33 33 33 33 0.0 72654.851 96.87 13.53 0.078 -0.078 6.7 0.000 0.156 0.00 .06 .16-.01 .15 .23 .08 -0.060 30 30 30 30 0.0 74444.760 96.05 13.53 0.041 -0.041 3.2 0.000 0.083 0.00 .12 .12-.04 .21 .22 .09 -0.020 42 21 21 42 0.0 109299.89 122.15 14.04 0.010 0.000 1.1 0.000 0.019 0.00 .03 .15-.04 .23 .20 .11 0.020 39 39 39 39 0.0 82134.554 99.61 13.65 0.043 0.043 3.6 0.000 0.085 0.00 .07 .12-.02 .20 .19 .07 0.060 37 37 37 37 0.0 66896.735 92.83 13.56 0.076 0.076 5.9 0.000 0.152 0.00 .11 .13-.04 .35 .19 .16 0.100 24 24 24 24 0.0 95788.909 121.21 14.21 0.112 0.112 11.0 0.000 0.225 0.00 .00 .15-.03 .19 .22 .07 0.140 25 25 25 25 0.0 95309.400 111.29 13.39 0.158 0.158 15.6 0.000 0.316 0.00 .09 .12-.07 .17 .19 .13 0.180 18 18 18 18 0.0 70228.079 104.68 13.72 0.199 0.199 18.5 0.000 0.398 0.00 .03 .11-.05 .14 .21 .09 0.220 10 10 10 10 0.0 59309.411 101.81 14.29 0.244 0.244 16.7 0.000 0.489 0.00 .05 .04-.04 .17 .19 .08 0.260 7 7 7 7 0.0 23833.157 50.60 13.02 0.285 0.285 12.3 0.000 0.569 0.00-.14 .12 .03 .39 .30 .10 0.300 7 7 7 7 0.0 20186.624 54.64 13.34 0.314 0.314 15.2 0.000 0.627 0.00-.10 .04 .22 .24 .10 .57 0.340 2 2 2 2 0.0 8455.150 23.20 13.44 0.367 0.367 8.8 0.000 0.734 0.00-.03 .08-.05 .08 .16 .05 0.380 2 2 2 2 0.0 8510.200 21.88 12.60 0.387 0.387 7.6 0.000 0.774 0.00 .25 .02 .03 .26 .06 .11 0.420 1 1 1 1 0.0 2865.700 9.38 13.93 0.433 0.433 4.1 0.000 0.865 0.00-.14 .14 .04 .14 .14 .04 0.460 2 2 2 2 0.0 1230.000 5.86 12.68 0.466 0.466 2.6 0.000 0.932 0.00-.06-.15 .15 .19 .18 .27 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 40 20 20 40 5.0 35118.943 66.49 12.80 0.008 0.000 0.5 0.000 0.015 0.00 .09 .10-.03 .42 .22 .16 1.000 42 23 23 42 0.0 56777.233 86.19 13.79 0.017 0.002 1.5 0.000 0.036 0.00 .07 .12-.04 .17 .19 .09 2.000 40 25 25 40 0.0 64293.621 93.83 13.47 0.026 0.002 2.4 0.000 0.056 0.00 .04 .12-.02 .21 .20 .13 3.000 32 21 21 32 6.2 35930.660 58.74 12.48 0.061 0.000 3.6 0.000 0.129 0.00 .05 .15-.02 .39 .32 .13 4.000 23 17 17 23 0.0 41164.517 60.15 13.39 0.074 0.016 4.4 0.000 0.155 0.00 .07 .18-.05 .15 .23 .09 5.000 30 22 22 30 6.7 44795.830 69.64 13.46 0.079 0.003 5.5 0.000 0.162 0.00 .03 .10 .04 .29 .20 .32 6.000 12 10 10 12 0.0 62260.325 78.75 13.05 0.082 -0.003 6.5 0.000 0.174 0.00 .11 .11-.04 .25 .22 .09 7.000 14 14 14 14 0.0 56383.443 83.32 13.11 0.091 0.035 7.5 0.000 0.182 0.00 .44-.01-.08 1.4 .72 .16 8.000 14 12 12 14 0.0 93966.614 127.02 14.10 0.068 -0.009 8.7 0.000 0.155 0.00 .08 .11-.04 .15 .17 .08 9.000 11 10 10 11 0.0 29111.182 47.74 12.23 0.198 0.035 9.4 0.000 0.390 0.00 .07 .14-.04 .18 .20 .09 10.000 9 8 8 9 0.0 74358.778 89.07 13.05 0.118 0.005 10.5 0.000 0.271 0.00 .01 .22-.11 .18 .25 .14 11.000 12 11 11 12 0.0 93834.816 115.70 13.71 0.099 0.042 11.4 0.000 0.191 0.00 .02 .11-.00 .13 .24 .05 12.000 11 11 11 11 0.0 75835.336 103.61 14.11 0.120 -0.018 12.5 0.000 0.240 0.00-.02 .07-.05 .10 .11 .08 13.000 13 11 11 13 0.0 108378.17 117.99 13.45 0.115 0.017 13.5 0.000 0.231 0.00 .04 .13-.02 .15 .19 .08 14.000 4 4 4 4 0.0 81165.875 84.21 13.35 0.175 0.109 14.7 0.000 0.350 0.00 .08 .08-.05 .17 .13 .08 15.000 7 7 7 7 0.0 126298.97 139.81 15.36 0.111 0.081 15.5 0.000 0.222 0.00 .05 .09-.04 .19 .13 .09 16.000 3 3 3 3 0.0 28280.833 54.26 12.27 0.303 -0.303 16.5 0.000 0.605 0.00 .08 .11-.14 .13 .13 .14 17.000 7 7 7 7 0.0 88865.800 135.39 15.14 0.128 -0.007 17.3 0.000 0.256 0.00 .01 .10-.07 .08 .13 .09 18.000 5 5 5 5 0.0 83028.620 98.41 13.22 0.185 -0.085 18.3 0.000 0.370 0.00 .15 .01-.03 .26 .29 .07 19.000 4 4 4 4 0.0 78450.476 99.72 13.64 0.195 0.000 19.5 0.000 0.390 0.00-.04 .09-.04 .10 .15 .08 20.000 3 3 3 3 0.0 68202.801 97.76 13.97 0.209 0.011 20.4 0.000 0.417 0.00 .06 .11-.07 .09 .14 .08 21.000 7 7 7 7 0.0 62642.586 104.51 13.96 0.207 -0.024 21.5 0.000 0.413 0.00 .01 .10-.04 .09 .17 .06 22.000 2 2 2 2 0.0 64220.600 121.07 15.83 0.185 0.185 22.4 0.000 0.370 0.00 .02-.02-.04 .09 .04 .04 23.000 5 5 5 5 0.0 130100.86 149.58 15.34 0.156 0.067 23.3 0.000 0.312 0.00 .03 .10-.04 .05 .17 .08 24.000 40 26 26 40 0.0 142883.00 182.44 14.98 0.212 -0.037 40.3 0.000 0.463 0.00 .03 .09-.04 .10 .20 .08 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 705 195 510 390 0.9 59558.868 91.64 13.00 0.111 0.000 10.3 0.000 0.234 0.00 .12 .09-.04 .57 .33 .15 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 66 0 66 0 0.0 54414.669 81.38 13.91 0.000 0.000 0.0 0.000 0.000 0.00 .02 .09-.05 .44 .25 .13 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_03.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.860 75 174 43.10 1.45 0.124 34 19.54 0.124 196.26 0.0 to 1.477 142 337 42.14 1.48 0.116 68 20.18 0.103 123.01 1.0 to 1.291 202 500 40.40 1.49 0.112 98 19.60 0.101 85.30 0.0 to 1.173 258 671 38.45 1.48 0.109 125 18.63 0.077 67.34 2.4 to 1.089 310 830 37.35 1.47 0.110 146 17.59 0.123 59.76 1.4 to 1.025 354 985 35.94 1.47 0.110 165 16.75 0.112 53.44 1.6 to 0.973 406 1158 35.06 1.44 0.110 180 15.54 0.122 43.58 1.5 to 0.931 442 1306 33.84 1.42 0.111 187 14.32 0.193 39.12 0.0 to 0.895 479 1456 32.90 1.40 0.111 193 13.26 0.049 38.34 0.0 to 0.864 510 1628 31.33 1.38 0.111 195 11.98 0.154 33.33 0.0