SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:26:48 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 22 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-): 66.17 (from frame neal054_21_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_21_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_21_0001.sfrm) Base offset per exposure: 64 (from frame neal054_21_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_21_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 10:26:48 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_21_0001.sfrm Nominal time per frame (s): 10 Intensity normalization in deg/min: 6 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:26:50 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_21_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 10:26:50 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_21_0001.sfrm Active pixel mask written to neal054_am_21_0001.sfrm Fraction of mask marked active: 0.9674 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): 47.435 45.860 180.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 95 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 10:26:50 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 = 91.79% 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 16 0.78 0.78 2.27 1.000 2_0003 5 1.77 0.01 -0.24 1.78 0.94 0.24 5399.1 7 40 0.25 24 0.78 0.78 2.27 1.000 3_0004 2 0.17 -0.16 -0.26 0.25 0.16 0.27 69405 64 0 0.22 27 0.78 0.78 2.27 1.000 4_0005 8 0.90 -0.03 -0.19 1.08 0.51 0.25 43742 28 0 0.47 31 0.78 0.78 2.27 1.000 5_0006 5 0.30 -0.10 -0.20 0.39 0.44 0.25 10327 15 40 0.62 29 0.78 0.78 2.27 1.000 6_0007 6 0.35 0.05 -0.31 0.50 0.37 0.33 71800 47 0 0.76 29 0.78 0.78 2.27 1.000 7_0008 4 0.09 0.00 -0.12 0.29 0.15 0.22 45043 39 0 0.64 28 0.78 0.78 2.27 1.000 8_0009 13 0.57 0.02 -0.30 0.61 0.27 0.32 17153 22 0 0.68 26 0.78 0.78 2.27 1.000 9_0010 11 0.48 -0.02 -0.23 0.66 0.26 0.25 79044 50 0 0.70 30 0.78 0.78 2.27 1.000 10_0011 9 0.49 0.19 -0.27 0.65 0.37 0.31 26580 44 0 0.54 39 0.78 0.78 2.27 1.000 11_0012 9 0.59 0.01 -0.23 0.90 0.28 0.31 69620 45 11 0.58 25 0.78 0.78 2.27 1.000 12_0013 8 0.54 0.13 -0.15 0.58 0.45 0.25 107350 74 13 0.70 33 0.78 0.78 2.27 1.000 13_0014 11 0.54 -0.06 -0.20 1.00 0.36 0.29 34127 34 9 0.65 28 0.78 0.78 2.27 1.000 14_0015 10 0.29 -0.06 -0.13 0.69 0.27 0.15 39840 38 30 0.63 31 0.78 0.78 2.27 1.000 15_0016 8 0.25 -0.11 -0.18 0.38 0.30 0.19 42733 42 0 0.73 29 0.78 0.78 2.27 1.000 16_0017 6 0.14 0.05 -0.14 0.23 0.21 0.18 27034 26 17 0.73 31 0.78 0.78 2.27 1.000 17_0018 11 0.43 -0.17 -0.18 0.81 0.36 0.20 56438 47 0 0.72 31 0.78 0.78 2.27 1.000 18_0019 4 0.33 -0.32 -0.17 0.36 0.35 0.18 51835 39 0 0.69 30 0.78 0.78 2.27 1.000 19_0020 4 0.61 -0.31 -0.24 0.80 0.40 0.25 22271 29 0 0.64 25 0.78 0.78 2.27 1.000 Background pixels updated = 93.55% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 1 -0.09 -0.17 -0.14 0.09 0.17 0.14 351183 165 0 0.62 20 0.78 0.78 2.27 1.000 21_0022 6 0.33 -0.35 -0.20 0.41 0.39 0.22 35838 32 0 0.82 29 0.78 0.78 2.27 1.000 22_0023 12 0.37 -0.13 -0.25 0.61 0.24 0.33 57666 43 8 0.62 27 0.78 0.78 2.27 1.000 23_0024 13 0.55 -0.05 -0.22 0.67 0.47 0.29 33819 35 8 0.68 28 0.78 0.78 2.27 1.000 24_0025 7 0.60 0.03 -0.23 0.76 0.20 0.25 4394.8 10 0 0.55 28 0.78 0.78 2.27 1.000 25_0026 13 0.53 -0.04 -0.14 0.88 0.29 0.21 13879 21 8 0.62 26 0.78 0.78 2.27 1.000 26_0027 9 0.36 -0.34 -0.13 0.57 0.45 0.15 5368.4 12 11 0.70 26 0.78 0.78 2.27 1.000 27_0028 6 0.15 -0.28 -0.10 0.33 0.31 0.22 31279 35 17 0.65 26 0.78 0.78 2.27 1.000 28_0029 9 0.19 -0.11 -0.17 0.33 0.28 0.18 38961 35 0 0.64 27 0.78 0.78 2.27 1.000 29_0030 9 0.31 -0.14 -0.13 0.69 0.33 0.18 88081 64 0 0.68 30 0.78 0.78 2.27 1.000 30_0031 6 0.51 -0.57 -0.22 0.73 0.79 0.28 105315 68 0 0.74 32 0.78 0.78 2.27 1.000 31_0032 5 0.15 -0.25 -0.14 0.30 0.28 0.20 34888 38 0 0.58 27 0.78 0.78 2.27 1.000 32_0033 8 0.14 -0.25 -0.16 0.39 0.29 0.23 81830 58 0 0.72 31 0.78 0.78 2.27 1.000 33_0034 6 0.10 -0.29 -0.16 0.30 0.42 0.21 117568 87 0 0.70 33 0.78 0.78 2.27 1.000 34_0035 8 0.09 -0.24 -0.09 0.29 0.29 0.13 51411 45 13 0.71 29 0.78 0.78 2.27 1.000 35_0036 9 -0.03 -0.24 -0.15 0.25 0.26 0.18 23975 34 0 0.74 39 0.78 0.78 2.27 1.000 I/Sigma = 46.46 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.024 Region 1 Sum = 10389.5; Maximum = 129.807; FM = 0.559 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 6 6 3 1 1 0 1 0 9 24 22 13 6 2 1 1 0 0 0 0 0 0 0 0 0 0 2 5 6 5 3 2 1 1 1 8 22 26 22 12 5 2 2 1 0 0 0 0 0 1 0 0 0 2 6 7 6 4 2 1 1 0 9 24 31 27 15 6 2 2 1 0 0 0 0 0 0 0 0 0 1 4 4 4 2 1 1 1 0 6 17 20 18 9 4 2 1 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 1 1 0 3 8 12 13 8 4 2 1 0 0 1 0 0 0 0 0 0 0 1 2 2 2 1 1 1 1 0 2 5 7 7 5 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 2 3 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 2 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 1 1 1 1 1 0 0 0 !Region 1: Section 4->6 12 29 27 18 10 5 2 1 0 7 17 15 20 31 27 18 8 2 2 6 7 25 61 60 43 19 5 14 36 47 44 29 14 6 3 1 12 32 50 61 58 43 27 13 3 6 18 38 62 80 83 63 32 8 14 37 51 49 33 16 6 3 1 11 30 47 58 60 50 33 18 5 5 15 32 56 82 93 81 51 15 10 29 39 39 26 14 6 3 1 10 27 43 55 59 52 32 14 4 5 14 31 56 88100 72 37 11 5 18 30 33 24 13 5 2 1 6 22 39 51 51 41 27 14 5 3 13 29 51 73 80 69 43 15 3 10 17 20 16 9 4 2 1 4 11 21 31 34 27 20 12 4 2 6 15 29 45 53 50 35 14 2 5 8 10 8 6 3 2 0 2 7 13 20 24 23 16 9 3 1 5 11 24 40 48 44 28 10 1 3 5 5 5 4 2 1 1 2 4 7 12 15 14 11 7 3 1 3 7 18 29 34 30 23 9 0 1 1 2 2 1 1 0 0 0 1 2 3 4 4 3 3 1 0 1 1 3 6 8 9 9 4 !Region 1: Section 7->9 0 1 3 14 35 37 28 14 4 0 0 1 1 2 3 3 3 1 0 0 0 0 0 0 0 0 0 2 6 17 32 47 57 48 27 7 0 1 2 4 6 9 10 7 2 0 0 0 0 0 0 1 1 0 1 5 13 29 51 66 63 42 13 0 1 2 4 8 12 13 10 3 0 0 0 0 1 1 1 1 1 1 5 13 29 53 67 56 34 11 0 1 2 4 7 11 13 11 4 0 0 0 0 1 1 1 2 1 1 4 13 27 49 62 61 42 15 0 1 2 4 10 15 17 14 5 0 0 0 0 1 1 2 2 1 1 2 7 16 30 44 46 35 14 0 1 2 3 7 13 15 13 5 0 0 0 0 1 2 2 2 1 0 2 6 14 28 39 42 31 11 0 0 1 3 6 11 15 14 5 0 0 0 0 1 2 2 3 1 1 2 4 12 23 30 32 28 12 0 1 1 3 6 10 13 14 6 0 0 0 0 1 1 2 3 2 0 0 1 2 6 9 9 9 4 0 0 0 1 3 4 4 4 1 0 0 0 0 0 1 1 1 0 I/Sigma = 234.24 Thresh = 0.020 Blend = F #Contributing = 44 InitialProfileWt = 0.031 Region 2 Sum = 280827; Maximum = 4961.92; FM = 0.923 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 5 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 1 4 11 18 13 7 3 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 4 2 1 0 0 2 6 16 26 23 14 4 1 0 0 0 0 1 1 1 1 0 0 0 1 2 4 5 4 2 0 0 2 6 14 23 23 16 6 1 0 0 0 0 1 1 1 1 0 0 0 1 2 3 4 5 4 1 0 2 5 13 20 21 17 8 2 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 4 3 1 0 1 4 10 18 17 12 6 2 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 2 2 1 0 0 2 5 9 9 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 5 4 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 1 1 1 0 0 !Region 2: Section 4->6 0 1 4 14 20 15 8 3 0 0 1 4 13 18 14 7 3 0 0 0 2 4 6 6 3 1 0 0 2 11 34 49 33 16 6 1 0 2 12 37 48 30 14 4 1 0 1 6 16 19 13 6 2 0 1 5 24 58 77 60 32 10 1 1 6 30 71 84 62 29 9 1 1 4 16 34 38 28 12 4 1 1 8 30 54 76 69 37 11 2 1 13 50 78 99 86 38 10 1 1 11 36 51 61 49 19 5 1 1 7 24 47 69 69 40 14 2 2 15 47 74100 96 47 12 2 2 15 45 64 75 65 29 7 1 1 4 12 29 52 51 28 11 2 1 9 25 51 74 68 33 11 2 1 10 32 62 72 57 26 8 1 0 1 5 13 23 21 11 5 1 0 2 9 23 34 27 14 6 1 0 3 13 33 44 30 16 6 1 0 0 1 4 11 10 5 2 0 0 1 2 7 12 11 6 3 0 0 1 4 11 15 13 7 3 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 3 4 2 1 0 !Region 2: Section 7->9 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 7 6 2 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 12 9 4 2 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 14 21 26 20 9 3 1 0 1 2 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 1 6 18 28 34 28 14 4 1 0 1 2 4 7 6 4 1 0 0 0 0 0 1 0 0 0 0 0 4 16 33 39 30 15 5 1 0 1 2 5 7 7 4 2 0 0 0 0 0 1 0 0 0 0 0 2 8 20 28 22 13 5 1 0 0 2 4 6 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 3 8 12 10 6 2 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 3 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 113.49 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.046 Region 3 Sum = 63600.2; Maximum = 884.998; FM = 0.839 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 3 10 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 2 4 8 12 15 14 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 4 9 15 17 18 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 3 8 16 20 21 15 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 6 16 22 21 11 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 11 20 16 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 13 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 !Region 3: Section 4->6 1 2 4 7 10 26 19 10 3 1 3 6 9 12 23 17 9 3 0 2 4 6 8 8 8 4 2 2 6 13 25 37 45 40 27 11 2 7 17 33 45 50 40 24 10 1 4 10 21 29 29 20 11 3 1 5 13 31 46 53 54 39 13 2 8 22 44 63 69 59 35 11 1 6 16 32 47 51 34 15 4 1 4 12 31 54 64 64 44 13 2 9 25 53 82 89 72 41 11 1 8 23 46 70 73 46 18 4 1 4 10 26 56 73 65 35 8 2 10 27 57 93100 75 36 8 2 10 29 60 87 80 48 18 4 1 4 9 20 44 68 51 19 3 2 11 27 56 86 92 59 21 4 2 14 34 69 89 69 36 13 2 1 3 7 15 29 46 30 8 1 2 11 25 46 64 64 36 10 2 3 16 35 61 73 51 24 8 1 1 2 5 9 16 21 13 3 1 2 9 19 30 38 34 17 4 1 3 15 29 42 44 31 14 4 1 0 1 1 3 5 5 3 1 0 1 4 9 11 11 10 4 1 0 2 7 15 18 13 10 5 1 0 !Region 3: Section 7->9 0 0 1 2 2 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 9 10 7 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 16 19 12 6 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 3 8 17 27 29 18 7 1 0 0 1 2 3 4 3 2 0 0 0 0 0 0 1 1 0 0 1 4 11 24 35 32 19 7 1 0 1 2 3 5 5 4 2 1 0 0 0 1 1 1 1 1 0 1 7 15 30 37 28 15 6 1 0 2 3 5 6 5 4 2 1 0 0 1 1 1 1 1 1 0 2 10 18 30 34 23 12 5 1 1 4 6 7 7 6 4 2 1 0 1 1 1 2 1 1 1 0 3 11 18 23 22 15 8 3 1 2 6 8 7 6 5 3 2 0 1 2 2 2 2 1 1 1 0 3 6 9 12 9 7 4 2 0 2 3 4 5 4 3 2 1 0 0 1 1 2 1 1 1 0 0 I/Sigma = 47.38 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 4 Sum = 7431.93; Maximum = 108.185; FM = 0.669 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 6 9 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 4 8 13 18 10 4 1 1 0 0 0 0 0 0 -1 -1 -1 0 0 1 1 0 0 0 -1 -1 0 2 6 11 16 11 5 2 1 0 0 0 0 0 -1 -1 -1 0 0 0 0 1 0 0 -1 0 -1 0 2 3 7 10 9 5 2 1 0 0 0 0 0 -1 -1 0 0 0 0 1 1 0 0 -1 0 0 0 2 2 4 6 7 4 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 -1 0 1 2 1 3 4 3 1 0 1 0 0 -1 0 1 0 0 0 0 0 0 -1 1 1 0 0 0 0 1 1 1 3 3 1 0 0 1 0 0 0 0 1 0 1 0 0 0 1 1 0 1 0 0 0 0 0 1 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 0 !Region 4: Section 4->6 4 12 15 21 14 5 2 1 0 4 10 18 18 15 9 3 2 1 2 7 17 13 15 12 5 3 2 10 19 30 42 26 11 4 3 1 11 25 36 43 37 22 9 6 2 7 20 33 37 41 32 15 9 3 7 16 27 39 29 13 5 3 1 11 28 41 53 48 31 15 6 2 9 27 42 54 56 48 26 12 3 5 12 20 30 26 15 5 3 0 10 27 43 54 56 43 21 10 2 9 30 49 61 71 69 39 20 5 4 8 14 21 24 14 6 2 1 7 23 38 52 62 52 29 13 3 8 28 47 64 82 87 55 28 6 2 5 8 15 18 11 4 3 1 6 18 31 47 58 55 36 15 3 6 25 44 63 81100 72 32 7 2 4 5 10 12 8 4 2 1 4 12 23 35 48 52 37 16 3 4 17 33 50 72 95 73 36 8 1 3 5 5 7 6 4 1 0 2 8 17 24 35 45 36 18 4 2 10 24 36 56 83 74 42 11 0 1 1 2 3 2 1 1 0 0 3 6 9 14 16 18 6 2 1 3 9 13 22 29 39 13 4 !Region 4: Section 7->9 0 3 8 6 7 6 4 2 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 2 7 14 17 20 17 10 7 3 0 -1 0 1 0 1 2 4 2 0 -1 0 0 0 1 1 2 1 2 10 18 24 27 26 16 9 3 0 -1 0 1 1 0 2 4 1 0 -1 0 0 0 0 1 1 0 3 11 21 27 34 37 23 14 4 0 0 0 1 2 1 3 4 1 0 0 0 0 0 0 1 1 0 3 12 20 28 38 47 32 19 5 0 1 0 1 1 1 3 5 2 0 1 0 0 0 0 1 2 1 3 11 20 28 38 55 43 21 5 0 1 1 0 1 3 4 4 2 0 1 0 0 0 0 1 1 0 2 7 15 23 35 51 43 24 6 0 0 0 1 3 3 5 5 2 0 0 -1 0 1 0 1 1 1 1 4 11 18 28 46 44 28 8 0 0 0 2 3 4 6 6 2 0 0 0 0 1 1 2 2 1 0 1 4 6 11 16 24 9 3 0 0 0 1 1 2 3 3 1 0 0 0 0 0 1 1 1 0 I/Sigma = 23.41 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 5 Sum = 2856.93; Maximum = 26.2488; FM = 0.589 !Region 5: Section 1->3 1 0 1 0 1 2 0 -1 0 1 2 2 0 0 2 -1 -1 -1 4 11 7 4 2 0 -1 -1 -2 -2 1 2 -1 2 3 1 0 -1 -3 3 2 -2 1 3 -1 -3 -2 11 21 14 12 4 2 -1 -2 -2 0 1 0 0 1 3 1 -2 0 2 3 0 1 -1 3 2 -1 -1 11 20 14 14 5 4 2 -1 0 1 -1 -2 -1 2 0 -3 -2 0 0 -1 -1 -1 1 -1 -2 -1 1 9 18 15 11 5 1 1 1 2 -1 1 1 -1 0 -3 -2 -2 0 0 2 -1 -3 0 -4 -2 -5 -2 7 18 13 12 8 1 1 -3 0 0 -1 -2 -1 -1 -1 -1 -1 1 -1 -1 -2 -3 -1 0 -1 -1 -1 3 8 9 8 6 2 -1 -2 -2 0 -2 -1 1 1 -1 -1 0 -2 0 -2 -2 -2 -2 1 -2 -3 -4 1 3 6 3 1 3 -1 0 -2 -1 -3 1 1 0 -1 0 0 0 -1 -5 0 -1 -2 -2 -2 1 -1 0 0 -1 1 -1 -1 -3 -1 -1 0 -1 2 -1 -1 -2 -3 1 0 0 -2 0 -1 -1 -3 -3 0 -1 -1 -1 -2 0 0 -1 -1 -1 -1 !Region 5: Section 4->6 13 32 22 20 11 4 2 1 -1 14 36 31 30 19 12 7 7 1 6 17 20 19 16 14 9 10 3 31 62 54 51 26 14 7 2 0 30 73 79 78 51 32 18 12 2 13 38 49 55 42 33 30 23 5 27 61 64 59 36 18 9 0 1 30 75100 97 72 44 27 8 4 17 41 67 76 65 50 40 21 6 27 60 63 54 37 16 12 6 4 29 70 96 93 78 50 35 16 6 15 40 73 77 75 62 51 31 11 19 45 53 55 40 21 13 6 2 18 45 75 84 80 53 40 21 7 11 28 61 74 85 72 69 44 15 12 25 33 37 30 17 11 5 2 15 33 51 63 72 53 43 23 9 12 26 50 69 91 84 80 55 19 4 16 21 22 19 14 10 8 1 8 27 36 46 54 54 42 27 7 10 29 43 61 80 93 88 69 22 2 9 4 13 11 13 3 3 1 5 20 20 37 45 51 37 22 5 8 26 35 56 79 90 88 64 18 0 2 -1 3 4 4 3 1 0 2 6 9 14 17 17 20 12 1 3 8 17 22 31 36 47 33 5 !Region 5: Section 7->9 0 2 4 6 9 9 7 7 2 -2 -2 -3 0 4 3 4 1 1 -1 -1 -2 -1 0 1 2 -1 0 4 8 14 18 18 21 30 24 4 1 0 3 1 4 8 12 11 1 0 -1 0 -2 -1 2 2 1 0 5 11 22 32 30 30 35 25 7 -1 1 7 10 8 8 12 10 3 -2 -2 1 1 1 0 0 0 0 5 14 31 33 38 37 45 36 15 -1 2 7 7 8 8 16 15 7 -2 -1 0 0 -2 -1 0 1 1 5 12 27 39 49 54 65 53 19 1 2 3 8 12 19 23 25 11 0 0 -1 0 -1 2 1 4 3 5 10 26 43 57 67 73 67 22 0 1 4 9 14 26 26 34 11 -1 0 -1 -2 1 5 2 6 2 6 14 25 38 51 66 77 82 29 1 1 5 7 12 16 24 40 16 -1 0 1 -1 1 1 2 8 3 6 14 21 33 50 63 72 74 25 2 3 2 6 9 13 18 30 12 1 1 -1 0 -1 -1 -2 3 1 1 2 8 13 22 27 38 34 8 -1 -2 -2 2 5 7 10 12 3 -1 0 -2 0 0 1 0 0 0 I/Sigma = 20.25 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 6 Sum = 1580.27; Maximum = 29.1072; FM = 0.241 !Region 6: Section 1->3 0 -1 1 -1 -2 0 0 0 0 0 -1 1 -1 -2 -1 -1 0 0 2 2 3 1 1 1 0 0 0 0 0 0 -1 -1 -1 0 0 1 0 -1 0 -2 -1 -1 0 0 1 7 7 6 5 4 3 1 1 1 -1 0 0 0 0 0 -1 1 1 -1 0 0 0 0 0 -1 0 1 8 11 10 7 5 2 0 2 1 -2 -1 -1 0 -1 -1 -1 0 0 -2 -1 -1 0 -1 -1 -1 0 0 8 12 13 11 5 1 1 1 0 -1 -2 -2 -1 1 0 0 0 1 -1 -2 -2 -1 1 0 0 0 1 8 13 13 10 7 2 2 1 1 1 0 0 -1 1 0 -2 0 0 1 0 1 -1 1 -1 -2 0 0 4 9 10 8 6 1 1 1 1 0 0 -1 0 -3 -1 0 0 0 0 -1 -1 0 -3 -2 0 0 0 3 6 7 6 2 1 2 2 1 0 0 -2 -1 -1 -1 0 0 -1 0 0 -2 -1 -1 -2 0 0 -1 2 3 2 2 1 0 1 2 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 -1 1 0 0 2 1 1 1 0 0 0 1 0 !Region 6: Section 4->6 6 6 6 3 4 3 2 1 1 3 4 4 2 2 1 1 1 1 1 1 2 2 1 4 4 2 3 17 17 16 14 11 8 3 3 1 9 10 9 9 6 5 2 1 1 1 3 6 8 7 17 20 20 8 21 28 27 18 13 6 1 4 1 11 16 15 11 7 3 0 2 0 1 2 7 12 12 22 27 33 11 22 31 35 28 13 4 3 2 0 12 18 20 16 7 3 2 1 0 2 6 9 10 18 26 34 43 19 21 36 35 26 16 6 5 2 0 12 21 20 15 9 3 2 1 1 2 8 10 10 24 31 44 46 23 9 24 24 21 13 4 5 4 1 5 14 14 12 8 4 3 2 1 2 6 9 13 21 27 42 50 20 8 16 19 14 8 3 5 6 3 5 10 11 8 5 2 3 3 2 1 6 10 12 15 22 31 37 13 6 9 7 6 5 2 2 6 1 3 5 4 3 3 1 1 3 1 0 4 7 10 11 15 21 25 9 4 3 2 2 1 0 0 2 1 2 2 1 1 1 0 0 1 0 0 2 2 3 4 5 9 8 5 !Region 6: Section 7->9 2 2 3 5 3 7 7 4 6 0 1 1 2 1 3 3 2 3 -1 0 0 0 -1 0 0 1 1 2 5 10 14 12 32 37 37 15 2 3 5 5 5 12 15 16 8 1 2 1 -1 -1 -1 0 2 2 1 4 13 22 21 42 51 62 22 0 1 6 9 9 17 22 26 9 0 -1 1 1 0 -1 2 1 1 4 11 16 20 34 50 65 82 37 2 4 8 9 13 21 27 34 16 0 -1 2 2 -1 1 1 -1 1 3 14 18 19 48 62 86 89 43 0 5 8 7 19 26 35 36 19 -3 -1 1 -1 -1 0 -2 -1 1 4 12 17 26 41 54 83100 40 1 4 5 9 16 22 34 41 17 -1 -2 -4 -3 -2 -1 -1 0 1 2 11 20 24 30 43 63 74 27 1 2 7 10 11 18 26 31 12 -1 -4 -3 0 -2 0 0 0 1 1 8 14 21 21 31 43 49 18 0 2 5 7 8 13 17 21 8 -1 -2 -2 -3 -1 1 -1 0 1 0 4 4 6 8 11 18 17 9 0 1 1 2 4 5 7 5 4 -1 -1 -2 -1 0 0 -2 -3 -1 I/Sigma = 17.49 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 7 Sum = 1554.87; Maximum = 18.2955; FM = 0.488 !Region 7: Section 1->3 -2 1 1 -2 0 -1 0 -3 0 -1 0 0 -2 -1 -1 1 -3 -1 1 1 1 3 1 -1 2 -2 -1 -1 2 3 1 1 -1 -4 0 0 -2 0 2 1 1 -2 -6 -1 0 3 -3 2 6 -1 -1 -3 -3 0 -1 -1 3 0 -1 -2 -1 1 1 -2 -2 5 2 -2 -1 -2 2 0 6 3 8 2 -3 2 1 -1 0 0 0 3 1 3 2 0 -1 0 -1 -1 4 2 1 2 -1 -3 -1 4 10 10 7 0 4 -1 -2 -1 -1 0 0 4 4 2 0 0 0 -1 2 1 4 4 3 0 1 0 5 15 14 10 4 5 1 1 0 -1 2 0 1 -1 1 2 0 -4 -1 3 -1 0 -1 1 1 -1 -4 5 11 9 10 2 2 -1 -3 -2 1 3 1 1 -2 1 0 1 1 1 3 0 1 -2 1 -1 1 0 4 7 6 5 1 -1 -1 -1 -1 1 3 1 2 0 1 0 0 1 1 3 1 1 0 0 -1 1 0 2 3 2 1 -1 1 2 0 0 0 1 0 1 0 0 -2 0 0 0 2 -1 0 0 -1 -3 0 -1 1 1 -2 -2 -2 1 2 0 -1 !Region 7: Section 4->6 4 4 6 8 4 1 3 -1 0 4 4 8 10 6 7 6 4 2 1 2 7 10 11 19 26 22 9 10 4 13 17 4 3 2 0 2 6 8 18 23 18 18 12 10 3 0 6 14 28 40 53 51 50 17 18 18 22 15 6 8 8 3 2 12 15 31 29 25 24 19 14 3 1 6 24 38 48 69 71 59 22 19 35 32 24 13 11 5 1 0 15 34 39 44 36 25 17 8 1 3 15 28 49 62 72 69 56 22 19 39 41 32 19 12 7 3 0 16 41 53 55 47 29 16 5 -1 3 23 43 53 70 74 53 39 13 20 37 40 38 20 9 3 -1 -1 18 47 56 63 47 26 12 3 0 6 28 44 54 61 59 43 25 9 17 27 33 27 11 5 1 3 1 19 34 52 57 29 22 7 5 2 9 22 40 54 39 42 25 19 7 8 13 15 12 8 3 7 3 2 11 28 30 29 20 9 8 3 1 7 22 26 30 25 20 14 15 6 3 3 3 1 0 2 6 1 0 2 8 13 7 6 2 5 1 0 0 7 15 10 11 5 4 5 2 !Region 7: Section 7->9 -1 1 5 5 14 20 34 31 12 0 0 1 0 6 6 13 13 5 0 0 0 0 0 -2 1 1 0 0 3 6 23 44 60 70 76 30 -1 0 0 6 17 20 28 39 15 -1 1 -1 0 0 -2 -1 5 1 -2 4 13 34 50 85 97 87 39 -2 3 9 15 22 36 43 43 20 -1 4 5 3 3 2 3 5 2 0 5 16 37 61 94100 93 44 -1 2 9 15 22 45 49 50 25 -1 -1 3 2 0 6 6 7 1 -1 11 25 32 64 91 79 70 31 0 4 9 12 23 39 39 37 21 1 0 0 2 -2 0 2 4 4 0 8 22 28 52 72 64 46 19 1 1 8 8 19 32 31 25 12 0 1 1 -2 -2 1 1 2 2 2 8 19 32 37 46 39 34 15 0 1 6 15 18 22 25 19 12 0 -1 1 3 1 1 5 2 3 1 5 11 19 26 27 24 28 13 0 -1 0 9 15 17 16 16 8 1 -1 -4 1 2 3 2 1 1 1 1 9 9 12 8 7 9 4 2 -1 2 5 8 6 5 4 2 1 0 -2 1 2 2 0 0 0 I/Sigma = 46.08 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 8 Sum = 8323.19; Maximum = 130.251; FM = 0.567 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 5 16 20 13 6 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 5 18 24 18 9 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 5 16 23 19 11 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 4 13 22 17 9 3 1 1 0 0 0 0 0 0 0 -1 0 0 0 0 1 1 0 0 -1 0 0 3 10 15 13 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 7 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 !Region 8: Section 4->6 3 9 28 16 6 3 3 1 0 3 6 20 20 15 11 13 5 1 1 2 9 27 31 26 40 17 3 11 37 49 36 21 10 5 2 1 8 25 40 44 43 37 22 10 3 2 8 22 50 82100 67 30 7 12 43 61 50 29 13 5 3 1 8 30 50 59 53 36 21 9 3 2 8 24 55 87 85 58 27 6 13 39 63 55 33 13 4 3 1 9 28 56 62 53 32 15 8 3 2 9 26 51 75 67 40 21 7 10 33 58 51 28 11 3 2 1 7 25 53 60 43 26 11 6 2 2 9 24 43 53 49 29 16 5 8 26 42 38 20 7 3 2 0 6 20 39 45 31 17 8 4 1 2 7 17 30 35 31 20 12 3 5 16 22 20 9 4 2 1 0 4 14 25 27 16 9 5 3 1 2 6 13 19 19 17 12 6 2 2 6 9 9 5 3 1 1 1 2 6 13 13 9 6 3 2 1 1 4 8 10 10 9 6 3 1 1 1 2 3 1 1 1 0 0 1 2 4 3 3 3 1 1 0 1 1 2 3 4 4 2 1 1 !Region 8: Section 7->9 0 1 6 21 27 22 35 17 3 0 0 1 4 6 5 7 5 1 0 0 0 0 0 0 0 1 0 1 4 14 37 69 90 64 29 7 0 0 3 8 16 20 17 9 3 0 0 0 0 0 0 1 1 1 1 4 13 37 70 75 55 26 7 1 1 2 7 15 16 14 8 3 0 0 0 0 0 0 1 1 1 1 4 11 31 56 56 37 19 7 0 1 2 5 11 12 9 5 3 0 0 0 0 0 0 0 0 0 1 4 9 22 36 40 26 15 6 0 0 2 4 7 9 7 4 2 0 0 0 0 0 0 0 1 0 1 3 7 15 23 25 18 11 4 1 1 1 3 4 6 5 4 2 0 0 0 0 0 0 1 1 0 1 2 4 8 12 14 10 6 3 0 0 0 1 2 3 3 2 2 0 0 0 0 0 0 0 0 0 0 1 3 4 6 7 5 3 2 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 2 3 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 99.76 Thresh = 0.020 Blend = F #Contributing = 29 InitialProfileWt = 0.061 Region 9 Sum = 50897.1; Maximum = 1015.94; FM = 0.818 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 2 5 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 1 3 7 12 9 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 1 4 8 14 13 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 3 1 0 0 1 3 7 14 16 10 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 1 0 0 1 2 5 9 12 9 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 2 3 6 8 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 3 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 !Region 9: Section 4->6 1 4 9 16 16 9 3 1 0 1 4 14 30 33 22 9 2 0 0 3 13 26 27 21 10 2 0 1 6 18 34 34 19 6 2 0 1 9 31 60 66 42 16 4 0 1 8 27 49 54 38 17 5 1 2 8 24 45 48 30 10 2 0 2 13 43 80 89 61 24 5 1 1 11 37 65 71 51 23 6 1 2 8 25 45 53 38 14 3 0 2 14 46 84100 76 32 7 1 2 11 38 72 84 64 31 8 1 1 5 17 35 46 37 16 4 0 1 9 32 68 88 70 30 8 1 1 7 26 58 72 55 26 8 1 1 3 10 22 30 24 11 4 0 1 4 16 40 57 44 21 7 1 1 3 12 34 46 35 18 6 1 0 1 4 10 15 13 7 3 0 0 2 7 18 28 24 13 5 1 0 1 5 14 22 19 12 5 1 0 1 2 4 6 6 4 2 0 0 1 2 5 9 10 7 3 0 0 1 1 4 7 8 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 1 2 3 2 1 0 0 0 0 1 1 2 1 1 0 !Region 9: Section 7->9 0 1 5 8 8 7 4 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 12 19 21 16 9 3 1 0 1 2 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 5 15 25 28 21 11 4 1 0 1 2 4 5 5 3 1 0 0 0 0 0 0 0 0 0 0 1 4 14 28 33 26 15 5 1 0 1 2 4 6 5 4 2 0 0 0 0 0 0 0 0 0 0 0 3 9 23 28 23 13 5 1 0 0 1 4 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 1 5 13 17 15 9 4 1 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 8 7 6 3 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 (202 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 202 0 202 6.2116 0.9732 14.259 104.777 Orientation ('UB') matrix: 0.1434552 0.0361116 -0.0042968 0.0306620 -0.0026130 0.0770999 0.0663175 -0.0769069 -0.0046371 A B C Alpha Beta Gamma Vol 6.2535 11.7643 13.0141 90.000 96.640 90.000 951.00 0.0005 0.0009 0.0009 0.000 0.004 0.000 0.18 Corrected for goodness of fit: 0.0013 0.0023 0.0023 0.000 0.010 0.000 0.46 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.242 96.218 24.480 Goniometer zeros (deg): 0.0000* -0.0230 0.0000* -0.0031 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7802 -0.3445 0.0635 -0.2138 -0.1750 0.8568 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.48350e+04 3.84912e+03 2.57 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 195 Average input ESD (pix, pix, deg): 0.17378 0.13794 0.21652 Goodness of fit: 3.05161 2.47219 1.93941 Average missing volume: 0.031 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:26:53 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 = 94.99% 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 18 0.78 0.78 2.27 1.000 2_0003 3 0.17 -0.05 -0.04 0.28 0.09 0.08 53899 51 0 0.46 24 0.78 0.78 2.27 1.000 3_0004 3 0.33 0.21 -0.08 0.51 0.34 0.10 6463.5 19 0 0.64 23 0.78 0.78 2.27 1.000 4_0005 6 0.06 0.13 0.24 0.18 0.14 0.51 58896 30 0 0.39 31 0.78 0.78 2.27 1.000 5_0006 6 0.08 -0.00 -0.01 0.17 0.22 0.10 21638 23 17 0.68 32 0.78 0.78 2.27 1.000 6_0007 5 -0.14 0.02 -0.03 0.19 0.10 0.06 106431 58 0 0.80 32 0.78 0.78 2.27 1.000 7_0008 8 -0.03 -0.04 -0.06 0.09 0.06 0.17 11459 20 0 0.62 27 0.78 0.78 2.27 1.000 8_0009 11 -0.08 0.05 0.01 0.36 0.15 0.08 17367 21 0 0.63 27 0.78 0.78 2.27 1.000 9_0010 12 0.04 -0.00 -0.05 0.19 0.06 0.09 76340 51 0 0.74 29 0.78 0.78 2.27 1.000 10_0011 9 0.02 0.02 -0.02 0.13 0.07 0.08 23326 42 0 0.64 37 0.78 0.78 2.27 1.000 11_0012 6 0.11 -0.04 -0.06 0.31 0.09 0.13 107084 61 0 0.69 24 0.78 0.78 2.27 1.000 12_0013 12 0.20 0.05 0.03 0.41 0.26 0.22 88668 65 8 0.69 31 0.78 0.78 2.27 1.000 13_0014 8 0.12 0.06 0.06 0.77 0.41 0.16 23743 25 38 0.62 26 0.78 0.78 2.27 1.000 14_0015 11 -0.03 0.10 0.03 0.25 0.23 0.10 44471 43 9 0.76 32 0.78 0.78 2.27 1.000 15_0016 5 -0.07 -0.00 0.09 0.10 0.03 0.11 53893 51 0 0.74 25 0.78 0.78 2.27 1.000 16_0017 7 0.13 -0.10 0.03 0.23 0.20 0.08 25835 26 0 0.67 30 0.78 0.78 2.27 1.000 17_0018 12 -0.00 -0.04 0.02 0.20 0.13 0.08 55213 46 0 0.70 29 0.78 0.78 2.27 1.000 18_0019 3 0.17 -0.08 -0.03 0.23 0.13 0.08 54480 38 0 0.81 31 0.78 0.78 2.27 1.000 19_0020 3 0.08 -0.07 0.04 0.10 0.08 0.05 28805 36 0 0.56 27 0.78 0.78 2.27 1.000 Background pixels updated = 95.19% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 1 -0.07 -0.05 -0.06 0.07 0.05 0.06 360192 167 0 0.69 20 0.78 0.78 2.27 1.000 21_0022 7 -0.06 -0.02 -0.03 0.29 0.18 0.07 30865 28 14 0.78 30 0.78 0.78 2.27 1.000 22_0023 15 -0.04 -0.07 -0.05 0.22 0.12 0.14 49369 38 0 0.68 28 0.78 0.78 2.27 1.000 23_0024 13 -0.10 -0.11 0.01 0.24 0.22 0.10 33822 36 0 0.71 27 0.78 0.78 2.27 1.000 24_0025 7 -0.27 -0.28 -0.02 0.54 0.38 0.11 15413 20 0 0.65 28 0.78 0.78 2.27 1.000 25_0026 10 -0.07 -0.06 -0.01 0.18 0.10 0.10 10516 20 10 0.66 27 0.78 0.78 2.27 1.000 26_0027 8 0.00 -0.09 0.00 0.11 0.11 0.11 4992.2 11 0 0.72 28 0.78 0.78 2.27 1.000 27_0028 10 0.11 -0.04 -0.03 0.27 0.15 0.11 34511 34 10 0.66 27 0.78 0.78 2.27 1.000 28_0029 9 0.05 -0.01 0.01 0.16 0.14 0.08 87720 66 0 0.71 30 0.78 0.78 2.27 1.000 29_0030 6 0.10 -0.20 -0.10 0.20 0.29 0.18 42676 34 0 0.75 26 0.78 0.78 2.27 1.000 30_0031 5 0.03 -0.10 0.00 0.11 0.14 0.10 123150 79 0 0.76 33 0.78 0.78 2.27 1.000 31_0032 7 0.01 -0.13 -0.02 0.08 0.18 0.07 29076 32 0 0.63 28 0.78 0.78 2.27 1.000 32_0033 8 -0.08 -0.10 0.00 0.21 0.16 0.09 94430 63 0 0.77 33 0.78 0.78 2.27 1.000 33_0034 7 -0.05 -0.06 -0.03 0.09 0.11 0.09 123893 91 0 0.74 34 0.78 0.78 2.27 1.000 34_0035 7 -0.23 0.01 0.01 0.59 0.32 0.10 29029 35 14 0.71 27 0.78 0.78 2.27 1.000 35_0036 9 -0.09 -0.11 -0.05 0.20 0.13 0.12 21958 32 0 0.78 38 0.78 0.78 2.27 1.000 I/Sigma = 44.27 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.024 Region 1 Sum = 10192.9; Maximum = 103.637; FM = 0.707 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 6 14 13 9 5 2 1 1 0 16 37 40 31 17 7 2 1 0 0 1 0 1 0 0 0 1 0 4 11 12 10 5 2 2 2 0 13 34 40 34 21 10 4 3 1 0 0 1 1 0 0 0 0 0 5 14 18 15 8 4 2 1 1 17 46 60 53 33 15 6 4 1 0 0 0 0 0 1 0 0 0 4 12 15 12 7 3 2 2 1 14 41 54 50 31 15 6 3 1 0 0 0 0 0 0 1 0 0 2 7 9 9 6 3 2 1 0 8 24 37 38 27 14 7 3 1 0 1 0 1 1 1 1 1 0 2 6 9 11 6 3 2 2 1 6 21 36 41 27 13 6 3 1 0 1 0 1 0 0 0 1 0 1 3 3 3 2 1 1 1 0 3 10 15 16 12 7 4 2 1 0 0 0 0 1 0 0 1 0 1 2 2 2 2 1 1 2 1 2 4 7 9 8 5 4 3 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 3 2 1 1 0 0 !Region 1: Section 4->6 11 29 38 37 22 11 4 2 1 3 10 18 24 24 30 20 9 2 1 3 8 14 24 41 33 15 4 15 38 48 48 36 21 9 4 1 8 21 33 44 48 42 28 13 4 2 8 19 34 49 53 44 22 6 18 51 73 72 54 31 13 6 2 9 28 48 63 69 67 54 29 8 3 10 26 48 72 91 91 52 15 17 48 72 76 59 33 14 6 2 8 26 47 67 80 76 54 29 8 2 7 20 45 78100 88 53 15 10 32 53 61 52 35 18 6 2 6 21 41 60 74 72 54 29 8 2 8 22 46 78 95 88 54 16 8 28 51 60 47 29 13 6 2 5 17 35 51 63 66 54 33 12 2 6 16 36 67 94 95 66 25 4 15 27 34 29 18 9 4 1 3 10 21 34 43 44 37 23 8 1 4 10 23 44 62 64 46 16 2 7 13 19 19 13 7 4 1 2 6 13 25 37 38 30 19 7 1 3 9 24 46 60 59 43 17 1 3 5 7 5 4 3 1 0 1 2 3 5 7 8 8 6 2 0 1 1 2 6 11 14 11 4 !Region 1: Section 7->9 0 1 3 6 11 17 15 7 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 7 14 22 25 23 14 5 0 0 1 1 2 2 3 3 2 0 0 0 0 0 0 0 0 0 1 4 10 19 31 42 45 28 9 0 1 1 1 2 3 4 4 2 0 0 0 0 0 0 0 1 0 1 3 7 17 33 46 45 31 9 0 1 1 1 3 4 5 5 2 0 0 0 0 0 0 0 0 0 1 4 8 19 36 49 50 35 12 0 1 1 2 3 6 8 8 4 0 0 1 0 0 0 1 1 1 1 2 7 15 30 48 53 41 16 0 0 1 1 3 6 8 9 5 0 0 0 0 0 0 1 1 1 0 1 4 10 21 35 40 32 12 0 1 1 1 3 6 9 9 5 0 0 0 0 0 1 1 1 1 0 1 4 11 23 35 40 34 15 0 1 1 1 3 7 11 12 7 0 0 0 0 0 1 2 2 2 0 0 1 1 4 7 10 9 3 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 1 0 I/Sigma = 228.81 Thresh = 0.020 Blend = F #Contributing = 45 InitialProfileWt = 0.031 Region 2 Sum = 268014; Maximum = 4659.79; FM = 0.947 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 3 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 2 6 14 20 13 6 2 0 0 0 0 0 0 1 1 0 0 0 0 1 2 3 4 3 1 0 0 3 8 19 27 21 10 3 0 0 0 0 0 1 1 1 1 0 0 0 1 2 4 6 5 2 0 1 4 11 22 32 33 21 6 1 0 0 0 0 1 1 1 1 0 0 0 1 2 4 5 6 4 1 0 3 9 19 29 29 20 8 2 0 0 0 0 1 1 1 1 0 0 0 0 1 3 4 5 4 1 0 2 7 15 23 22 16 8 2 0 0 0 0 0 1 1 1 0 0 0 0 1 2 3 3 2 1 0 1 3 9 17 16 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 3 7 6 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 !Region 2: Section 4->6 0 1 2 6 8 7 3 1 0 0 0 1 5 7 5 2 1 0 0 0 1 2 2 1 1 0 0 1 3 13 31 42 26 11 2 0 0 2 9 24 32 18 7 2 0 0 1 3 8 11 6 2 1 0 1 5 21 52 69 47 18 4 0 1 4 21 55 68 43 14 3 0 0 2 9 24 30 19 6 2 0 1 9 36 70 90 82 42 10 1 1 9 44 83100 85 37 8 1 1 6 25 46 53 42 17 4 1 1 8 32 59 82 80 43 12 2 1 13 49 79 99 95 47 11 1 1 13 42 62 66 58 29 7 1 1 5 22 45 66 64 34 11 2 1 9 36 65 88 83 40 11 2 1 9 37 64 74 61 31 8 1 0 1 8 23 42 40 20 7 2 0 2 13 35 54 48 21 6 1 0 3 17 47 62 43 18 5 1 0 0 2 8 15 13 7 4 1 0 1 3 12 19 16 8 3 0 0 1 5 19 27 20 10 3 0 0 0 1 2 4 3 2 1 0 0 0 1 2 4 3 2 1 0 0 0 1 3 5 4 2 1 0 !Region 2: Section 7->9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 6 8 5 2 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 14 16 12 5 1 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 18 27 27 22 12 3 0 0 1 3 5 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 4 16 30 34 27 15 4 1 0 1 2 4 5 5 4 1 0 0 0 0 0 0 0 0 0 0 0 2 10 27 35 25 11 3 1 0 1 2 5 6 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 4 14 20 16 9 3 0 0 1 2 3 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 111.02 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.046 Region 3 Sum = 61556.6; Maximum = 877.371; FM = 0.873 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 2 5 7 5 5 5 2 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 2 5 10 15 16 13 9 3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 3 7 13 19 21 19 12 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 2 7 15 22 25 24 13 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 2 5 13 23 28 24 11 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 4 11 22 27 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 17 20 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 8 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 !Region 3: Section 4->6 1 2 6 13 17 12 13 11 3 1 3 6 12 14 11 10 8 2 0 1 2 6 6 5 3 4 1 1 6 13 27 39 41 32 20 6 2 6 15 30 38 36 26 16 5 1 3 7 16 19 16 11 7 3 1 8 20 38 52 56 49 29 7 2 9 23 44 58 56 42 23 6 1 4 13 26 36 31 18 9 4 2 7 22 46 63 71 63 34 7 3 11 31 59 80 80 56 27 6 2 8 21 40 56 51 26 11 3 1 6 19 45 71 80 65 29 5 3 12 35 71 97 93 61 25 4 2 11 29 57 73 62 30 10 2 1 5 15 39 71 80 51 18 3 3 13 37 75100 91 51 17 3 3 15 39 70 77 59 27 8 2 1 4 11 28 55 60 31 9 1 4 15 35 65 81 67 32 9 1 5 19 40 67 66 41 18 6 1 1 3 8 17 30 31 15 4 1 4 14 28 44 51 39 17 4 1 6 19 35 49 46 28 11 3 1 0 1 4 6 8 7 4 1 0 3 4 11 17 19 11 5 1 0 4 7 14 21 20 8 4 1 0 !Region 3: Section 7->9 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 4 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 10 9 6 3 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 6 12 18 16 9 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 10 19 25 21 10 4 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 6 15 26 27 20 10 4 1 0 1 3 4 4 3 2 1 0 0 0 0 1 1 1 1 0 0 3 9 18 27 25 15 7 3 1 1 3 4 5 4 4 3 2 0 0 1 1 1 1 1 1 0 0 5 12 18 22 19 12 6 3 1 2 5 6 6 5 4 3 1 0 0 1 1 1 1 1 1 1 0 3 8 10 9 9 4 3 1 0 2 5 4 2 2 2 1 1 0 0 1 1 1 1 0 0 0 0 I/Sigma = 47.14 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 4 Sum = 7382.28; Maximum = 89.5532; FM = 0.735 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 4 4 3 2 0 0 0 1 6 16 16 13 8 1 1 0 0 1 0 0 0 0 0 0 0 2 4 5 7 6 2 0 0 0 5 16 22 31 26 11 3 2 0 0 0 1 0 0 0 -1 0 0 1 3 5 6 5 2 1 1 0 3 10 18 28 26 11 5 3 1 0 0 0 0 0 0 -1 0 0 1 1 3 4 4 2 0 0 0 2 6 11 18 21 12 4 2 0 0 0 0 0 -1 0 -1 0 0 0 1 2 2 2 2 0 0 0 1 5 6 11 16 10 4 2 1 0 1 1 0 0 0 0 0 0 0 2 2 2 2 1 1 0 0 1 3 4 7 12 7 3 1 1 0 1 0 0 1 1 0 0 0 1 2 0 1 2 1 1 -1 0 1 3 2 4 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 2 1 1 2 0 0 0 0 0 2 3 3 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 1 0 1 0 !Region 4: Section 4->6 1 8 22 24 19 13 2 2 0 2 7 19 18 17 13 5 4 1 2 4 13 10 12 10 7 4 1 8 25 38 49 41 22 7 4 1 8 26 40 51 49 37 18 9 2 6 18 28 38 41 36 22 11 3 6 21 37 50 48 27 10 5 1 9 30 49 66 67 51 30 12 2 6 23 37 54 59 52 37 15 3 5 18 31 44 47 33 13 6 1 9 31 53 73 80 73 45 20 4 8 26 42 65 72 75 55 26 6 3 14 24 34 43 34 17 7 1 7 27 48 70 87 86 61 29 5 7 24 41 63 81 92 76 39 8 3 9 16 26 37 29 16 7 2 5 22 39 64 82 89 76 35 6 5 20 36 63 79100 97 47 8 2 6 10 18 27 25 16 7 1 4 14 27 50 69 85 77 39 6 3 14 27 51 70 96 99 52 9 1 4 9 11 16 18 14 7 1 2 9 20 33 48 68 74 41 8 2 8 19 35 52 79 98 58 11 0 1 3 3 6 7 5 3 1 1 3 7 10 18 27 21 20 4 1 2 7 10 19 31 26 29 5 !Region 4: Section 7->9 1 1 3 3 3 3 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 1 0 2 4 8 12 12 12 8 6 2 0 -1 -1 1 0 0 1 3 1 0 -1 -1 0 0 0 0 0 0 2 6 10 16 18 17 13 7 2 0 -1 0 0 0 1 1 3 1 0 -1 0 0 0 0 0 1 0 2 7 11 19 22 24 19 13 4 0 0 0 1 1 1 1 4 2 0 0 0 0 0 0 0 1 0 2 7 11 18 24 30 27 18 4 0 1 1 0 0 1 2 5 2 0 0 1 0 0 0 0 1 0 2 6 10 18 23 34 36 19 4 0 1 1 0 0 2 3 4 1 0 0 0 0 -1 1 1 1 0 1 5 8 16 22 33 37 22 5 0 1 0 1 2 3 3 4 2 0 0 -1 0 0 1 0 1 0 1 3 5 11 18 28 37 25 6 0 0 0 0 2 4 4 5 2 0 0 -1 0 1 1 1 1 0 0 1 2 3 6 11 10 12 2 0 0 0 0 0 2 2 2 1 0 0 0 0 0 1 1 0 0 I/Sigma = 23.93 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 5 Sum = 2888.06; Maximum = 34.7446; FM = 0.732 !Region 5: Section 1->3 0 0 0 1 1 1 0 0 0 0 1 2 2 1 1 -2 0 0 1 6 9 8 4 2 0 1 0 0 0 0 0 -1 1 0 -1 0 1 4 5 3 -1 1 2 0 -1 3 19 23 21 11 5 3 1 0 0 1 1 1 1 0 0 1 0 2 7 7 5 2 2 2 2 1 4 24 27 21 14 6 4 0 0 0 1 1 1 1 0 -1 0 0 1 5 6 6 3 2 1 2 1 4 20 24 24 18 9 3 3 1 0 1 0 0 -2 1 -2 -1 0 1 4 3 4 -2 2 -1 -1 -1 2 11 16 21 13 8 2 1 -1 0 0 -1 -1 0 1 0 -1 0 1 1 2 0 1 2 0 -1 0 2 6 11 10 8 7 2 1 0 0 1 -1 0 -1 0 -1 0 0 0 1 1 1 -1 2 -1 0 1 0 2 4 6 4 4 1 1 1 0 0 -1 -1 -1 0 0 1 0 0 1 0 0 -2 0 1 2 0 1 3 1 2 0 4 1 2 0 0 -1 -1 0 0 0 0 0 0 0 -2 -1 1 0 1 1 1 0 0 -1 0 1 0 2 2 1 0 !Region 5: Section 4->6 2 18 26 25 16 8 4 3 1 2 22 31 31 24 12 8 7 2 1 8 12 13 14 8 8 8 1 6 42 60 62 42 25 13 7 1 7 42 66 76 57 41 25 17 3 3 16 27 35 31 27 26 18 3 8 48 66 68 54 33 21 7 1 9 50 78 95 79 58 42 23 3 4 21 38 51 45 40 36 26 4 8 41 61 73 64 42 26 16 3 8 45 77100 91 75 55 35 6 4 22 40 54 54 53 48 36 6 4 24 43 55 55 43 27 19 3 5 29 56 74 89 82 62 47 8 3 16 32 46 61 63 63 52 8 4 15 28 35 42 35 28 19 3 4 19 41 56 79 74 69 50 9 3 12 29 41 59 65 73 57 11 2 10 15 25 29 28 22 15 4 3 18 27 44 58 65 61 48 11 2 13 21 33 46 58 66 62 14 1 9 8 14 17 24 18 10 2 2 15 22 31 39 52 52 31 5 2 11 19 27 34 42 55 42 7 0 2 3 6 7 9 7 2 0 0 3 6 12 17 20 18 7 1 0 2 5 9 15 18 19 10 1 !Region 5: Section 7->9 0 0 1 1 3 1 3 5 1 0 0 1 -1 0 -2 0 2 1 0 1 0 -1 -1 -1 0 1 0 1 2 2 5 8 7 12 11 2 1 1 -2 0 1 0 2 4 1 0 1 -1 0 0 1 1 2 0 1 3 8 12 12 11 14 15 2 0 -2 -1 2 2 0 2 4 1 0 -2 -2 1 0 0 0 1 0 1 4 8 12 14 14 20 19 3 0 0 0 3 2 -1 4 4 0 0 -1 0 1 0 0 2 1 0 0 2 6 13 19 21 29 27 4 -1 -1 0 2 4 2 5 4 1 -1 -1 0 1 2 -1 0 0 0 0 2 9 15 21 26 35 28 7 -1 -1 2 3 4 6 8 4 2 -1 -2 0 0 1 2 2 0 1 1 4 8 9 14 21 28 33 10 0 0 3 1 1 4 5 9 4 -1 -2 1 1 1 3 2 4 1 1 4 6 9 12 13 21 22 7 0 1 0 0 1 1 1 3 3 0 0 -2 0 0 0 1 -1 1 0 -1 1 2 5 6 8 6 1 -1 -2 -1 -1 0 0 1 1 0 -1 -2 0 -1 -1 -1 1 1 0 I/Sigma = 20.00 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 1606.95; Maximum = 26.3134; FM = 0.501 !Region 6: Section 1->3 0 -1 1 0 0 -1 -1 -1 0 0 1 2 1 1 0 0 0 0 1 6 6 5 6 3 2 1 0 0 -2 -1 0 1 0 0 0 0 1 5 4 4 4 4 2 1 0 4 22 18 17 12 12 5 3 0 0 1 -1 1 1 2 1 0 0 2 8 7 9 5 4 2 2 1 6 28 25 27 14 9 4 4 2 0 -2 -3 -1 -1 0 1 -1 0 1 8 8 8 5 2 2 0 0 6 32 34 30 20 7 4 3 1 0 -1 -1 -2 -1 0 2 -1 0 1 8 9 7 4 2 2 0 0 5 28 31 27 18 7 5 4 1 0 0 2 0 -1 -1 0 -2 -1 1 6 9 8 3 1 1 0 0 2 20 23 24 15 6 5 4 1 0 -1 0 0 0 0 -1 0 0 1 4 5 4 2 2 1 2 0 3 14 16 14 8 4 4 7 2 0 -1 -1 -2 -4 -2 -1 -1 0 1 2 1 0 -1 0 0 1 1 2 6 4 5 6 2 2 5 1 0 0 0 0 0 0 -2 -1 0 0 0 0 1 1 0 -1 0 0 0 1 0 2 3 1 1 2 1 !Region 6: Section 4->6 1 5 6 6 6 3 2 0 0 0 1 3 4 2 4 8 5 0 0 1 2 4 1 9 19 14 2 3 19 17 17 12 11 7 2 0 1 6 9 12 10 19 24 16 3 0 5 11 16 14 36 48 39 7 5 25 23 26 16 10 7 3 1 1 8 12 20 18 22 31 29 7 1 6 16 28 26 42 60 69 16 5 29 31 29 24 11 6 4 1 2 13 18 20 29 33 38 37 8 1 15 24 26 42 65 82 85 19 4 24 29 27 23 12 7 5 1 2 10 18 20 33 36 41 42 9 2 11 21 24 50 66 90100 22 2 19 25 26 18 10 8 4 1 1 11 21 26 27 30 36 43 9 1 13 24 32 41 55 73100 21 2 13 17 19 13 8 8 8 2 1 9 19 22 23 24 30 34 7 1 12 24 27 33 44 60 74 15 2 6 5 7 9 5 5 6 1 1 6 11 14 15 16 21 23 4 1 9 18 21 23 31 41 47 9 0 2 1 2 3 1 2 2 1 0 3 5 3 4 6 8 10 2 0 2 6 5 7 14 14 21 4 !Region 6: Section 7->9 0 1 1 2 0 5 10 8 1 0 1 1 2 0 0 0 -1 0 0 1 1 0 0 0 -1 -1 0 0 2 6 7 6 19 25 21 4 0 1 2 1 0 1 0 1 0 0 1 2 1 0 1 0 1 0 0 4 9 14 13 22 31 37 9 0 2 2 2 2 -1 1 2 0 0 1 1 1 2 -1 0 1 0 1 9 12 13 22 34 43 45 10 0 2 -1 1 2 0 2 0 0 0 1 -1 1 1 0 1 0 0 1 6 9 12 25 33 47 54 12 0 0 0 1 1 -1 1 0 0 0 0 0 0 0 -1 0 0 0 0 5 10 14 19 27 39 55 12 0 -3 -2 -4 -2 -3 0 0 0 0 -3 -2 -3 -2 -2 -1 -1 0 0 5 10 11 16 22 31 41 8 0 -3 -3 -3 1 -1 1 2 0 0 -3 -3 -3 1 -1 0 1 0 0 5 9 9 10 17 22 26 5 0 -1 -1 -1 -3 0 1 1 0 0 -1 -1 -1 -3 -1 1 1 0 0 1 3 3 3 8 7 11 2 0 0 1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1 0 0 I/Sigma = 17.30 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 7 Sum = 1292.91; Maximum = 18.9422; FM = 0.617 !Region 7: Section 1->3 0 0 -1 0 1 0 0 0 0 1 2 0 1 1 -1 1 0 0 3 8 3 5 2 1 2 1 0 1 0 0 0 2 1 1 -1 0 2 2 2 5 4 -1 1 -1 0 4 9 9 18 8 0 2 2 0 1 -1 0 1 2 1 1 -1 0 3 5 3 6 2 2 3 -2 0 9 21 13 18 8 5 7 1 0 -2 -3 0 1 -1 0 3 1 0 0 4 5 6 0 1 5 1 0 8 29 22 20 10 5 8 3 0 0 0 1 3 1 2 2 2 0 3 10 12 12 5 4 3 2 0 10 34 34 30 18 10 6 4 0 0 0 1 2 0 1 1 2 0 2 7 13 10 5 4 3 2 0 8 28 38 28 20 12 5 1 0 1 1 2 0 1 -1 -2 0 0 3 6 10 8 4 -1 -2 1 0 8 22 30 26 14 4 0 2 1 1 0 1 1 0 1 -1 -1 0 2 2 4 3 1 0 0 0 0 3 10 13 11 8 1 1 1 1 0 -1 1 1 0 0 0 0 0 0 0 1 1 -1 0 -1 1 0 0 2 3 2 1 1 0 0 0 !Region 7: Section 4->6 3 6 4 7 6 4 2 1 0 1 1 2 6 11 13 12 13 3 0 0 2 5 13 18 24 26 6 3 9 11 18 13 7 4 4 0 1 5 8 14 24 30 35 36 10 1 4 6 13 31 47 65 67 18 7 18 19 22 16 12 9 7 1 1 6 15 24 36 48 51 47 11 -1 5 10 27 48 78 90 82 20 7 28 26 27 24 12 13 6 1 2 10 18 31 43 54 59 50 11 1 6 14 34 52 90100 92 21 8 33 37 38 35 20 11 6 0 2 13 25 35 52 62 51 42 8 0 6 20 31 56 96 88 79 15 8 34 38 34 36 22 8 2 0 2 18 23 30 48 58 41 26 5 0 6 20 26 51 85 72 52 10 7 25 33 34 21 12 3 2 1 2 14 21 31 28 36 24 17 4 0 7 15 28 33 52 44 34 7 3 12 18 20 15 3 1 1 1 1 7 15 21 19 16 12 13 4 0 5 11 17 20 26 23 25 7 0 3 5 3 3 2 1 2 0 0 1 6 5 5 6 4 3 1 0 1 5 7 8 10 6 7 2 !Region 7: Section 7->9 0 1 1 2 5 9 13 11 2 0 1 1 2 0 0 0 -1 0 0 0 1 2 0 0 0 -1 0 0 2 3 4 14 22 33 32 8 0 0 3 0 1 1 3 1 0 0 0 2 1 0 0 0 0 0 -1 3 5 13 23 38 43 40 8 0 0 0 3 5 3 3 4 0 0 0 0 1 2 -1 1 2 0 0 4 6 17 24 47 49 44 9 0 2 -1 4 3 4 4 0 0 0 1 -1 1 2 -1 1 -3 0 0 3 9 14 24 46 43 40 7 0 -1 -1 0 0 1 1 0 0 0 -2 -2 -1 -1 -2 -2 -3 -1 0 0 10 12 23 39 34 26 4 0 -2 2 2 1 0 0 0 -1 0 -3 0 0 0 -1 -1 -1 -1 1 2 7 14 16 24 22 17 4 1 1 0 1 1 1 0 1 1 0 0 -1 0 0 0 -1 0 1 0 2 5 7 9 11 12 12 2 -1 1 1 -2 -1 -2 1 1 -1 -1 0 1 -2 -1 -1 0 1 0 0 1 2 4 5 4 3 4 1 0 0 1 -1 1 -2 0 -1 0 0 0 0 -1 0 -2 0 -1 0 I/Sigma = 48.94 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 8 Sum = 8960.56; Maximum = 127.107; FM = 0.728 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 4 10 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 2 2 1 1 1 1 0 5 15 18 14 9 4 2 1 0 0 0 0 0 0 0 0 0 0 2 4 4 2 1 1 1 0 0 9 21 26 21 14 6 3 2 1 0 0 0 0 0 0 0 0 0 1 4 5 3 2 1 1 1 0 8 24 34 32 20 7 3 2 1 0 0 0 0 0 0 0 0 0 2 3 4 3 2 1 0 1 0 9 24 36 38 24 9 3 2 1 0 0 0 0 0 0 0 -1 0 2 3 4 4 3 1 0 0 0 7 20 33 35 21 8 2 1 1 0 0 0 0 1 0 0 0 0 1 2 3 3 2 1 0 0 0 6 16 25 28 16 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 4 10 14 17 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 4 5 2 1 0 0 0 !Region 8: Section 4->6 1 6 14 10 4 4 3 1 0 1 3 9 14 14 20 21 7 1 0 2 7 16 21 39 39 14 2 7 20 29 27 21 13 8 4 1 3 10 19 31 47 52 41 20 5 1 3 12 32 70 87 73 37 9 11 29 41 41 34 18 10 5 2 4 13 27 42 62 62 47 23 6 1 5 14 38 82100 82 41 11 10 33 54 60 46 23 11 5 2 4 16 33 55 71 63 44 22 6 1 5 14 41 83 94 74 39 11 12 35 59 72 53 24 10 4 1 5 17 36 59 69 54 33 16 5 1 5 14 36 70 74 54 28 8 9 29 55 67 46 21 7 3 1 4 15 35 54 55 40 22 12 3 1 5 12 27 48 52 36 20 6 7 24 43 54 34 15 5 3 1 3 13 27 41 39 27 17 9 3 1 4 9 19 31 34 28 16 4 5 16 26 34 18 7 3 2 1 3 9 18 27 21 15 10 6 2 1 3 7 11 17 19 15 9 3 1 4 9 9 5 3 1 1 0 0 3 7 8 8 4 3 2 1 0 1 2 4 7 4 4 3 1 !Region 8: Section 7->9 0 1 3 7 11 23 20 8 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 5 15 36 44 38 20 5 0 0 1 2 2 2 2 2 1 0 0 0 1 0 0 0 0 0 1 2 5 16 40 50 42 23 6 0 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 1 2 5 16 39 46 37 21 5 0 1 0 1 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 2 4 12 31 35 27 15 4 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 8 19 24 18 11 3 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 12 15 14 8 2 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 7 8 7 5 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 100.48 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.090 Region 9 Sum = 51447.6; Maximum = 1051.96; FM = 0.935 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 4 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 3 6 10 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 1 0 0 1 3 8 14 15 9 3 1 0 0 0 0 0 1 0 0 0 0 0 1 3 4 5 3 1 0 0 1 4 9 17 20 14 5 1 0 0 0 0 0 1 0 0 0 0 0 1 2 4 6 4 2 1 0 0 3 8 15 21 17 8 2 0 0 0 0 0 1 0 0 0 0 0 1 2 3 4 4 2 1 0 0 2 5 11 16 15 9 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 0 0 1 3 7 10 10 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 2 3 5 5 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 2 2 1 0 0 !Region 9: Section 4->6 0 2 4 10 13 7 1 0 0 0 2 5 15 20 11 1 1 0 0 1 3 8 11 6 1 0 0 1 4 12 25 30 19 6 2 0 1 4 15 38 49 32 11 3 1 0 2 11 25 31 21 8 2 1 1 5 17 39 49 34 12 3 0 1 6 25 59 76 54 21 5 1 0 4 19 42 49 35 15 4 1 1 7 22 48 62 51 21 4 1 1 8 35 74 95 80 33 7 1 1 5 25 51 64 51 22 6 1 1 7 23 48 65 58 26 6 1 1 9 36 74100 89 41 10 2 1 5 23 51 68 58 28 8 2 1 4 15 35 53 50 25 7 1 1 5 22 55 82 73 35 10 2 0 3 13 36 55 46 23 8 2 0 2 8 20 32 30 16 6 1 0 2 10 30 49 43 22 8 2 0 1 6 19 32 28 15 6 1 0 1 4 9 15 15 9 4 1 0 1 4 12 22 22 13 5 1 0 1 2 7 13 13 9 4 1 0 0 1 2 4 5 3 1 0 0 0 1 3 5 6 4 2 0 0 0 0 1 2 3 2 1 0 !Region 9: Section 7->9 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 3 7 8 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 13 15 11 6 2 1 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 8 15 20 16 9 4 1 0 0 1 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 14 21 18 11 5 1 0 0 1 2 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 1 3 11 17 15 9 4 1 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 5 9 9 6 3 1 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (206 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 206 0 206 6.2092 0.9456 14.264 109.228 Orientation ('UB') matrix: 0.1434891 0.0361498 -0.0042893 0.0305589 -0.0026496 0.0771096 0.0664438 -0.0768490 -0.0046763 A B C Alpha Beta Gamma Vol 6.2505 11.7691 13.0109 90.000 96.591 90.000 950.79 0.0005 0.0008 0.0008 0.000 0.004 0.000 0.16 Corrected for goodness of fit: 0.0011 0.0020 0.0020 0.000 0.009 0.000 0.38 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.189 96.229 24.520 Goniometer zeros (deg): 0.0000* -0.0177 0.0000* -0.0126 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7560 -0.4027 0.0626 -0.2146 -0.1767 0.8527 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.98032e+03 3.35389e+03 2.37 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 206 206 198 Average input ESD (pix, pix, deg): 0.16982 0.13881 0.11639 Goodness of fit: 2.94020 2.07200 1.86498 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.189 2.400 2.433 Average missing volume: 0.033 % with too much missing I: 1.744 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 10:26:55 Current XYZ spot size: 2.189 2.400 2.433 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): 0.306 0.278 0.342 Profile convolver halfwidth: 1.00 1.00 1.72 Background pixels updated = 94.82% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.69 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.69 1.000 2_0003 3 -0.06 0.07 -0.01 0.12 0.10 0.04 84339 61 0 0.67 24 3.46 3.97 2.69 1.000 3_0004 3 0.06 0.05 -0.09 0.23 0.07 0.15 10326 20 0 0.73 25 3.22 3.51 2.74 1.000 4_0005 6 -0.01 0.03 0.04 0.18 0.12 0.17 73994 33 17 0.54 31 3.36 3.90 2.74 1.000 5_0006 7 -0.01 -0.00 -0.03 0.11 0.19 0.10 27394 24 0 0.72 31 3.14 4.06 2.99 1.000 6_0007 4 -0.11 -0.05 -0.04 0.11 0.05 0.05 142089 72 0 0.94 33 2.99 4.05 3.03 1.000 7_0008 7 -0.07 -0.08 -0.03 0.20 0.10 0.14 11341 18 14 0.73 28 2.83 3.90 3.02 1.000 8_0009 11 -0.07 0.03 0.11 0.17 0.11 0.46 27569 28 0 0.75 27 2.81 3.69 3.01 1.000 9_0010 12 0.10 0.02 -0.08 0.46 0.19 0.15 81783 53 8 0.81 31 2.82 3.77 3.05 1.000 10_0011 9 -0.09 0.01 0.01 0.24 0.13 0.06 27960 44 0 0.75 38 2.86 3.80 2.93 1.000 11_0012 6 0.23 0.05 0.02 0.60 0.14 0.36 109494 62 0 0.73 27 2.81 3.73 2.92 1.000 12_0013 12 0.14 0.06 -0.01 0.37 0.25 0.18 95944 68 8 0.77 33 2.80 3.84 3.02 1.000 13_0014 10 0.20 0.05 0.15 0.72 0.36 0.39 31493 32 30 0.64 27 2.82 3.89 3.06 1.000 14_0015 8 -0.31 0.28 0.03 0.95 0.70 0.15 52773 44 0 0.84 30 2.77 3.86 3.04 1.000 15_0016 6 0.06 -0.07 -0.06 0.18 0.14 0.11 60454 51 0 0.78 28 2.74 3.81 3.02 1.000 16_0017 7 0.16 -0.25 0.03 0.74 0.61 0.11 33603 29 14 0.74 31 2.77 3.80 3.04 1.000 17_0018 12 0.14 -0.08 -0.04 0.46 0.23 0.12 65343 50 0 0.76 30 2.79 3.83 3.06 1.000 18_0019 3 0.05 -0.02 -0.06 0.05 0.08 0.06 77465 45 0 0.86 31 2.78 3.84 3.07 1.000 19_0020 3 0.05 -0.01 0.00 0.09 0.04 0.03 36631 40 0 0.63 27 2.79 3.83 3.08 1.000 Background pixels updated = 94.70% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 1 -0.07 0.04 0.02 0.07 0.04 0.02 392535 174 0 0.76 27 2.80 3.84 3.09 1.000 21_0022 7 -0.15 0.09 -0.06 0.49 0.23 0.12 35948 30 14 0.83 30 2.81 3.82 3.09 1.000 22_0023 15 -0.02 -0.04 -0.01 0.36 0.14 0.10 54993 41 7 0.77 28 2.78 3.81 3.10 1.000 23_0024 12 -0.18 -0.13 -0.00 0.53 0.25 0.12 39495 40 0 0.77 28 2.77 3.81 3.08 1.000 24_0025 7 -0.71 -0.40 0.10 1.05 0.59 0.15 20715 22 0 0.75 28 2.81 3.80 3.07 1.000 25_0026 11 -0.04 -0.06 0.01 0.11 0.12 0.08 13456 21 9 0.75 28 2.80 3.79 3.08 1.000 26_0027 7 0.03 -0.03 -0.04 0.21 0.15 0.16 8352.2 12 0 0.78 29 2.78 3.77 3.08 1.000 27_0028 10 0.12 -0.01 -0.05 0.35 0.21 0.11 42606 38 20 0.74 28 2.75 3.77 3.08 1.000 28_0029 9 0.02 0.03 0.04 0.31 0.13 0.10 97351 70 0 0.80 30 2.74 3.76 3.06 1.000 29_0030 6 -0.06 0.03 0.03 0.19 0.10 0.08 49423 37 0 0.83 27 2.77 3.75 3.10 1.000 30_0031 5 0.03 -0.05 -0.15 0.12 0.07 0.34 131992 83 0 0.80 33 2.81 3.77 3.10 1.000 31_0032 7 0.26 -0.08 -0.11 0.48 0.38 0.15 39636 37 0 0.71 30 2.81 3.78 3.07 1.000 32_0033 7 -0.03 -0.03 -0.04 0.10 0.10 0.08 128217 76 0 0.84 33 2.82 3.83 3.08 1.000 33_0034 7 -0.06 -0.03 0.02 0.11 0.10 0.05 138813 96 0 0.81 36 2.82 3.83 3.06 1.000 34_0035 8 -0.20 0.01 -0.03 0.81 0.47 0.15 38438 39 13 0.77 32 2.81 3.83 3.11 1.000 I/Sigma = 55.21 Thresh = 0.020 Blend = F #Contributing = 59 InitialProfileWt = 0.027 Region 1 Sum = 17129.3; Maximum = 621.719; FM = 0.844 !Region 1: Section 1->3 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 1 1 0 0 0 0 0 0 1 3 4 2 1 1 0 0 0 1 5 9 5 2 1 0 0 0 0 1 1 1 0 1 0 0 0 1 5 10 4 1 1 1 0 0 2 13 26 13 3 1 1 0 0 0 1 1 1 1 0 0 0 0 1 7 15 8 2 1 1 0 0 2 20 50 28 5 2 1 1 0 0 1 0 1 1 0 0 0 1 1 5 12 8 2 1 1 0 0 2 14 46 34 7 2 1 1 0 0 0 1 0 1 0 0 0 0 1 2 3 3 2 1 1 0 0 1 4 13 13 4 2 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 1 2 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 1 3 7 5 2 1 1 0 0 1 1 3 4 3 1 1 0 0 1 1 2 3 3 2 1 0 0 1 10 24 16 4 1 1 0 0 1 3 11 17 8 2 1 0 0 1 1 6 15 10 3 1 0 0 2 19 56 43 10 2 1 0 0 1 8 35 59 31 5 1 0 0 1 3 20 62 47 7 1 0 0 2 15 62 62 16 3 1 0 0 1 8 44 92 58 9 1 0 0 1 3 25100 92 16 2 0 0 1 4 22 28 9 2 1 0 0 1 3 19 50 38 8 1 0 0 1 1 12 61 68 17 3 1 0 1 1 3 5 3 1 1 0 0 1 1 4 13 13 4 1 0 0 1 1 4 19 26 10 2 1 0 1 1 1 1 1 1 1 0 0 1 1 1 3 3 2 1 0 0 1 1 2 4 6 4 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 1: Section 7->9 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 6 5 3 2 0 0 0 0 1 1 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 1 7 23 21 5 2 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 1 1 1 0 0 0 1 9 40 45 12 2 1 0 0 1 1 3 7 6 2 1 0 0 0 0 0 1 2 1 0 0 1 1 5 27 40 15 3 1 0 0 1 1 4 11 9 2 1 0 0 0 0 0 2 2 1 0 0 1 1 2 10 20 11 3 1 0 0 1 0 2 8 7 2 1 0 0 0 0 0 1 2 1 0 0 0 0 1 2 5 5 2 1 0 0 0 0 1 2 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 250.70 Thresh = 0.020 Blend = F #Contributing = 44 InitialProfileWt = 0.031 Region 2 Sum = 322772; Maximum = 32484.6; FM = 0.765 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 0 0 0 0 0 0 6 17 5 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 4 0 0 0 0 0 0 8 28 13 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 2 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 14 43 10 0 0 0 0 0 0 13 41 8 0 0 0 0 0 0 6 17 3 0 0 0 0 0 1 25 81 28 1 0 0 0 0 1 34100 30 1 0 0 0 0 1 27 67 18 0 0 0 0 0 0 6 26 10 1 0 0 0 0 0 9 33 11 0 0 0 0 0 0 11 35 10 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 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 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 11 26 8 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 21 7 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 123.18 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.053 Region 3 Sum = 83764.9; Maximum = 5350.53; FM = 0.847 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 5 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 5 17 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 24 17 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 11 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 11 11 4 1 0 0 0 1 3 9 8 3 0 0 0 0 0 1 3 3 1 0 0 0 0 1 15 48 36 7 0 0 0 0 2 17 48 29 5 0 0 0 0 1 8 25 12 2 0 0 0 0 1 19 77 49 3 0 0 0 0 2 34100 45 3 0 0 0 0 2 26 67 22 2 0 0 0 0 1 10 40 18 1 0 0 0 0 3 30 64 19 1 0 0 0 0 4 32 52 12 1 0 0 0 0 1 2 5 2 0 0 0 0 0 2 10 12 3 0 0 0 0 0 3 14 13 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 19 7 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 15 19 5 1 0 0 0 0 1 6 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 4 13 10 3 1 0 0 0 0 3 9 5 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 2 5 4 2 0 0 0 0 0 2 5 3 2 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 55.53 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 4 Sum = 14165.3; Maximum = 535.807; FM = 0.843 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 3 5 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 1 0 0 2 9 16 9 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 6 4 1 1 1 0 0 2 11 25 16 3 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3 5 5 1 0 0 0 1 2 8 24 25 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 0 1 0 0 1 1 3 9 15 4 2 1 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 0 1 0 1 1 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 0 0 0 !Region 4: Section 4->6 0 0 2 5 4 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 8 16 12 3 1 1 0 0 1 2 6 8 4 2 1 0 0 1 1 2 5 4 2 1 0 0 2 12 31 23 5 2 1 0 0 1 6 18 21 10 3 1 0 0 0 2 9 14 10 3 1 0 0 2 12 41 45 10 2 1 0 0 1 12 45 60 23 4 1 0 0 1 6 30 46 23 4 1 0 0 1 6 27 46 16 2 1 0 0 1 9 51100 57 5 1 0 0 0 7 41 89 62 7 1 0 1 1 2 9 21 12 2 1 0 1 1 3 24 70 64 7 1 0 0 1 2 21 71 75 10 1 0 0 1 1 3 6 4 1 1 0 0 0 1 8 28 31 6 1 0 0 0 1 8 34 42 9 1 0 0 0 0 1 1 1 0 0 0 0 0 1 3 9 11 3 1 0 0 0 1 4 13 18 6 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 3 2 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 1 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 1 7 12 9 4 1 0 0 0 0 0 1 3 3 1 1 0 0 0 0 0 1 1 1 1 0 0 2 10 23 20 6 2 0 0 0 0 0 1 4 5 3 1 0 0 0 0 0 1 2 2 1 0 0 0 6 20 26 9 2 1 0 0 0 0 2 6 7 4 1 0 0 0 0 0 2 3 2 1 0 0 0 2 13 21 11 3 0 0 0 -1 0 3 9 11 4 1 0 0 0 0 0 2 4 3 1 0 0 0 2 7 15 11 3 0 0 0 0 0 3 11 13 4 0 0 0 0 0 1 3 5 2 0 0 0 0 1 2 5 5 1 0 0 0 0 0 1 5 6 1 0 0 0 0 0 0 2 2 1 0 I/Sigma = 26.28 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.344 Region 5 Sum = 5888.59; Maximum = 184.49; FM = 0.834 !Region 5: Section 1->3 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 3 2 1 0 1 -1 0 0 1 1 1 1 -1 0 0 0 1 3 3 2 2 -1 0 0 0 0 4 10 8 3 0 0 -1 0 0 1 1 1 1 0 0 0 0 1 3 5 4 3 0 -1 -1 0 0 8 20 20 7 1 -1 -1 0 1 1 1 1 1 0 0 0 0 1 3 5 7 3 1 0 0 1 0 8 26 38 18 3 0 -1 0 0 0 1 1 0 0 0 -1 0 0 0 3 4 2 0 0 -1 0 0 3 13 25 19 4 0 0 0 0 1 0 0 -1 -1 0 0 0 0 0 1 0 0 -1 0 -1 -1 0 1 3 4 4 2 0 -1 0 1 0 0 0 0 0 1 1 0 2 0 -1 -1 -1 -1 0 0 0 1 1 0 0 0 1 0 -1 0 0 -1 0 0 1 0 0 1 0 0 -1 -1 0 1 0 -1 1 -1 0 -1 0 0 0 0 -1 -1 0 0 -1 0 0 0 0 0 0 0 -1 -1 1 0 0 0 0 0 0 0 -1 0 -1 -1 0 0 0 0 !Region 5: Section 4->6 0 1 4 3 1 0 0 -1 0 0 1 2 3 2 1 0 0 0 0 1 1 2 1 1 0 1 0 0 4 13 15 7 2 1 -1 -1 0 2 7 13 9 5 1 0 0 0 1 2 5 6 6 2 1 0 0 9 31 37 18 6 1 -1 -1 1 6 19 30 24 11 4 0 0 1 2 5 11 16 11 5 2 1 0 11 44 78 52 14 3 -1 -1 0 8 32 70 67 30 8 1 -1 0 3 10 29 42 32 9 3 1 0 5 24 57 64 26 4 0 -1 1 4 20 63100 70 17 1 -1 1 1 8 37 77 83 28 5 0 0 2 6 15 26 20 4 -1 0 0 1 7 27 58 66 20 2 0 0 0 4 21 55 86 39 6 0 0 1 2 2 7 7 2 -1 0 -1 1 2 6 19 25 11 2 1 -1 -1 1 6 21 37 25 8 1 0 -1 0 0 1 1 0 -1 0 0 1 1 2 5 5 4 0 0 0 0 2 2 6 9 10 4 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 1 1 2 1 0 !Region 5: Section 7->9 0 0 1 1 -1 0 0 0 0 0 0 1 0 -1 -1 0 0 0 0 0 0 0 0 -1 0 1 0 0 1 1 1 1 2 2 2 0 0 1 0 -1 0 0 2 3 1 0 0 0 -1 0 0 1 2 1 0 1 1 2 5 5 4 3 1 0 1 0 0 0 1 3 4 2 0 0 1 -1 -1 0 3 4 2 0 1 2 6 13 14 6 4 1 0 1 0 0 1 2 4 6 1 0 0 0 0 0 1 2 4 1 0 -1 1 10 24 37 20 6 1 -1 0 -1 1 2 5 8 7 2 0 0 -2 0 1 1 2 4 2 0 -1 0 6 19 40 28 8 1 -1 -1 -1 0 2 7 11 9 4 -1 -1 -1 -1 0 1 3 7 3 -1 -2 -1 2 8 20 24 12 1 -1 -1 -1 0 0 5 12 11 3 0 1 0 0 -1 1 2 4 2 0 -1 0 1 2 5 10 6 1 0 -1 -1 0 1 2 6 5 1 0 0 -1 0 0 1 1 2 0 0 1 0 0 0 1 2 1 0 0 0 0 0 0 1 1 0 0 0 -1 -1 -1 0 1 1 0 0 I/Sigma = 22.39 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 3826.93; Maximum = 178.454; FM = 0.695 !Region 6: Section 1->3 0 -1 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 -1 0 -1 -1 -1 -1 0 0 0 0 2 1 0 0 0 0 0 0 1 7 5 3 1 0 0 1 0 -1 0 0 -2 -1 0 -1 -1 0 0 3 2 0 0 0 -1 -1 1 4 12 11 5 1 0 0 0 0 -1 0 0 0 0 1 0 0 0 2 6 6 4 1 1 0 0 1 9 23 25 15 5 3 1 1 0 0 0 0 0 0 1 2 0 0 2 7 9 5 2 2 2 1 1 9 26 37 22 5 3 2 1 0 0 1 1 -1 0 1 0 0 0 0 2 4 2 2 1 1 0 1 2 9 13 9 5 4 3 2 0 -1 1 0 1 1 1 -1 0 0 0 1 0 1 1 1 -1 0 1 1 3 3 3 1 1 0 0 0 -1 0 0 0 -1 0 1 0 0 -1 0 0 1 0 1 1 0 0 1 2 1 1 2 1 0 0 0 0 0 -1 0 -2 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 1 1 1 0 -1 0 !Region 6: Section 4->6 0 1 1 2 1 1 0 0 0 0 1 1 0 1 1 0 0 0 0 1 1 1 1 2 1 1 1 0 1 6 4 3 1 0 0 1 0 1 2 2 3 3 1 0 0 0 1 2 3 4 5 2 1 0 1 3 10 10 6 2 0 0 0 0 1 2 3 7 6 3 1 0 0 0 2 3 10 12 7 2 0 1 6 19 23 15 5 3 1 1 0 1 4 9 16 23 11 3 0 0 1 4 11 26 47 25 5 0 1 8 22 34 25 7 4 2 1 0 1 6 17 33 47 27 5 1 1 0 5 20 52100 61 11 1 1 2 9 13 12 7 4 3 1 0 1 4 11 19 28 19 5 1 0 1 4 15 32 59 43 12 2 1 1 3 4 4 2 1 0 0 0 1 1 4 7 8 5 2 0 1 1 1 6 14 17 13 5 1 0 2 2 1 1 3 1 0 0 0 1 1 1 2 3 2 1 0 0 1 2 2 4 4 4 2 0 0 0 0 1 1 1 0 -1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 !Region 6: Section 7->9 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 2 1 1 0 -1 -1 0 1 1 2 1 2 1 -1 -1 0 1 1 1 1 2 1 0 0 1 1 4 6 4 2 0 0 0 1 0 2 2 2 4 2 0 0 1 0 2 2 2 4 2 0 0 2 5 11 21 12 3 0 -1 0 1 1 1 2 3 2 1 0 0 1 1 1 1 2 2 1 0 0 2 8 22 45 28 6 1 0 -1 0 0 0 1 2 4 1 0 -1 0 0 0 0 1 4 1 0 0 1 6 13 27 22 7 1 0 0 0 -1 -1 0 3 3 1 0 1 -1 -1 -1 0 2 3 1 0 0 0 2 6 8 7 3 1 0 0 -1 -2 0 0 1 1 0 0 0 -1 -1 0 0 1 1 0 0 0 1 1 2 2 1 1 0 -1 -1 -1 0 1 0 0 0 -1 -1 -1 -1 0 1 0 1 0 -1 0 0 0 0 1 0 0 0 0 -1 -1 -1 0 0 0 0 0 0 -1 -1 -1 0 0 0 0 0 0 I/Sigma = 15.62 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 7 Sum = 2363.05; Maximum = 126.865; FM = 0.709 !Region 7: Section 1->3 0 0 0 0 0 -1 0 -1 0 0 -1 0 0 0 -1 0 0 0 -1 0 1 0 1 0 0 0 0 0 0 2 0 0 -1 0 0 1 -1 -1 2 1 0 -1 0 -1 1 -1 -1 2 3 1 0 -1 -2 0 0 0 1 3 1 0 1 2 1 0 1 1 3 2 0 0 1 1 0 3 4 5 4 1 0 -1 0 0 -1 1 2 1 1 0 1 0 0 -1 5 6 3 1 -1 0 0 0 2 12 16 10 4 0 0 -1 0 0 0 1 1 2 -1 1 1 1 0 5 10 6 3 0 0 0 1 1 17 34 19 7 2 1 0 -1 0 0 1 1 -1 0 2 1 0 1 3 6 3 0 0 0 0 0 2 11 20 11 4 1 -1 -1 0 0 -1 0 -1 -1 0 1 0 0 1 0 0 -1 0 -1 0 0 0 2 3 2 0 2 0 -1 -1 -1 0 0 0 0 0 -1 0 0 0 0 1 -1 0 0 -2 -1 0 1 1 3 -1 0 0 -2 -2 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 1 -1 -1 -1 0 0 0 0 -1 1 0 -1 -1 0 !Region 7: Section 4->6 0 0 1 0 1 0 0 0 0 0 1 0 1 1 1 0 0 0 1 1 0 1 2 2 0 0 0 -1 0 2 3 1 0 0 -1 0 0 0 1 2 4 4 2 2 1 2 1 1 3 7 9 4 3 1 1 2 4 6 5 2 0 0 0 1 1 2 3 10 11 4 2 1 1 2 3 3 14 20 9 4 1 0 2 9 15 15 7 2 0 0 0 1 2 9 27 42 21 3 0 0 1 0 8 36 71 39 6 1 0 1 15 34 29 10 2 1 0 0 1 4 19 52 60 28 3 0 1 2 2 15 65100 52 7 0 0 3 12 23 16 5 1 0 -1 0 1 6 15 27 24 10 2 -1 0 0 2 11 34 40 21 5 0 0 1 4 4 1 2 1 0 0 0 1 2 4 4 5 3 1 0 1 0 0 5 8 7 5 2 1 0 1 2 0 0 0 -1 -1 0 0 0 1 1 0 1 1 0 0 0 0 1 1 2 2 1 0 1 0 0 0 -1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 -1 0 0 0 0 1 0 0 !Region 7: Section 7->9 0 0 0 0 1 1 0 0 0 0 -1 0 -1 -1 0 0 0 0 0 0 0 -1 -1 0 0 0 0 1 0 0 2 4 5 3 2 0 -1 -1 -1 0 1 0 2 1 0 -1 -1 -1 -1 0 -1 1 0 0 1 1 1 2 6 10 6 3 1 -1 -1 0 1 0 1 2 2 1 -1 -1 -1 0 0 0 1 1 0 0 0 0 3 14 30 19 4 1 -1 0 0 1 0 2 2 2 0 -1 0 0 0 0 0 1 1 0 0 1 0 6 25 41 22 3 0 -1 -1 -2 -2 0 0 1 0 0 -1 -1 -2 -2 -1 -1 0 0 -1 0 0 1 4 13 16 9 2 0 1 0 0 0 -1 -1 0 0 0 0 -2 0 -1 -1 -1 0 0 0 0 0 0 3 3 3 3 1 0 -1 -2 1 0 0 1 1 -1 -1 -1 -2 1 -1 0 1 1 -1 -1 0 -1 0 1 1 1 1 0 0 0 -1 -1 0 -1 1 0 0 -1 0 0 0 0 -1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 -1 1 -1 0 0 0 -1 0 0 -1 0 0 0 0 0 0 I/Sigma = 48.81 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 8 Sum = 12870.6; Maximum = 567.129; FM = 0.83 !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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 0 0 0 0 1 4 8 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 1 0 1 7 23 14 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 4 3 1 1 1 1 1 1 8 39 31 5 2 1 1 0 1 1 0 0 0 0 0 0 0 1 2 3 2 0 1 0 0 1 0 4 22 18 3 1 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 3 3 1 1 1 0 0 0 0 0 1 1 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 4 3 1 1 0 0 0 1 1 3 5 3 1 0 0 0 0 1 2 4 3 1 0 0 0 1 4 14 10 4 2 1 0 0 0 2 9 17 13 3 1 0 0 0 1 5 24 22 4 1 0 0 1 9 39 35 11 3 1 0 0 0 3 25 67 47 7 1 0 0 0 1 16 94 81 11 1 0 1 1 11 71 74 15 3 1 0 0 1 5 44 97 49 7 1 0 0 1 2 19100 79 12 2 0 1 1 6 42 43 7 2 1 0 0 1 4 27 46 19 4 1 0 0 1 2 10 36 28 6 1 0 0 1 1 6 6 2 1 1 0 0 1 1 5 7 5 2 1 0 0 0 1 3 6 6 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 1 1 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 0 1 0 1 0 0 0 !Region 8: Section 7->9 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 12 11 2 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 45 40 6 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 7 42 37 7 1 0 0 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 13 13 4 1 0 0 1 0 1 0 1 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 0 0 0 0 1 1 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 I/Sigma = 99.59 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.090 Region 9 Sum = 56447.5; Maximum = 5878.1; FM = 0.783 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 5 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 0 1 6 17 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 5 2 0 0 0 0 0 0 1 4 1 0 0 0 0 0 1 11 29 7 1 0 0 0 0 1 16 52 14 1 0 0 0 0 0 12 35 10 1 0 0 0 0 1 18 59 20 1 0 0 0 0 1 28100 34 1 0 0 0 0 0 19 68 23 1 0 0 0 0 0 6 24 11 1 0 0 0 0 0 8 38 17 1 0 0 0 0 0 5 24 11 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 3 9 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 19 8 1 0 0 0 0 0 1 3 2 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6.2074 0.9524 14.268 108.085 Orientation ('UB') matrix: 0.1435025 0.0362069 -0.0043139 0.0305290 -0.0026350 0.0771048 0.0665421 -0.0768737 -0.0046747 A B C Alpha Beta Gamma Vol 6.2483 11.7627 13.0106 90.000 96.560 90.000 949.98 0.0006 0.0011 0.0011 0.000 0.004 0.000 0.21 Corrected for goodness of fit: 0.0012 0.0022 0.0021 0.000 0.009 0.000 0.41 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.178 96.218 24.551 Goniometer zeros (deg): 0.0000* -0.0160 0.0000* -0.0189 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7782 -0.2926 0.0627 -0.1506 -0.1689 0.8515 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.12105e+03 2.26146e+03 1.97 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 201 201 197 Average input ESD (pix, pix, deg): 0.28032 0.21361 0.05989 Goodness of fit: 2.39079 1.68158 1.66207 Old XYZ spot size: 2.189 2.400 2.433 New XYZ spot size: 2.167 2.389 2.426 Average missing volume: 0.031 % with too much missing I: 2.090 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:26:57 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): 2.167 2.389 2.426 Spot size used (deg): 2.167 2.389 2.426 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 15 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 LS profile fitting will be used to worst resolution of 9999.000 A up to I/sigma(I) of 8.000 unweighted fit Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.303 0.276 0.341 Profile convolver halfwidth: 1.00 1.00 1.72 Background pixels updated = 95.22% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.00 0.00 0.00 1.000 2_0003 3 -0.05 0.10 0.02 0.11 0.14 0.04 75645 61 0 0.73 24 2.47 2.64 4.98 1.000 3_0004 3 0.09 0.11 -0.09 0.28 0.14 0.17 10812 21 0 0.72 25 2.27 2.30 4.27 1.000 4_0005 6 0.00 0.02 0.05 0.17 0.07 0.18 41928 36 0 0.75 32 2.35 2.51 3.85 1.000 5_0006 7 0.02 0.02 -0.01 0.10 0.17 0.11 22445 25 0 0.79 31 2.19 2.59 3.90 1.000 6_0007 5 -0.08 -0.01 -0.00 0.09 0.03 0.07 76965 65 0 0.84 32 2.09 2.60 3.92 1.000 7_0008 8 0.04 -0.16 -0.04 0.30 0.38 0.13 16032 20 0 0.76 28 1.97 2.47 3.79 1.000 8_0009 11 0.05 0.01 -0.02 0.49 0.24 0.09 28008 25 0 0.75 28 1.96 2.36 3.73 1.000 9_0010 12 0.11 0.04 -0.07 0.45 0.17 0.15 56495 54 0 0.82 31 1.96 2.40 3.71 1.000 10_0011 9 -0.11 0.05 0.02 0.25 0.15 0.06 25779 45 0 0.79 38 1.99 2.41 3.74 1.000 11_0012 6 0.20 0.06 0.00 0.60 0.14 0.30 81893 63 0 0.73 27 1.96 2.37 3.81 1.000 12_0013 13 0.19 0.04 -0.06 0.41 0.37 0.13 68012 68 8 0.78 33 1.95 2.43 3.83 1.000 13_0014 10 0.22 0.06 0.14 0.70 0.33 0.44 23663 33 30 0.65 28 1.95 2.45 3.84 1.000 14_0015 9 0.04 0.05 -0.09 0.10 0.18 0.27 38190 43 0 0.85 31 1.91 2.43 3.87 1.000 15_0016 7 0.67 0.30 -0.09 1.32 0.75 0.14 43754 42 0 0.76 26 1.90 2.39 3.84 1.000 16_0017 7 0.10 -0.17 0.04 0.62 0.49 0.09 33601 29 0 0.75 30 1.90 2.39 3.85 1.000 17_0018 13 0.62 -0.08 -0.04 1.84 0.25 0.12 46156 47 8 0.75 30 1.92 2.41 3.92 1.000 18_0019 4 -0.01 0.06 -0.02 0.05 0.07 0.03 63294 45 0 0.81 30 1.92 2.42 3.96 1.000 19_0020 2 0.13 -0.01 0.02 0.13 0.02 0.03 28391 38 0 0.64 27 1.92 2.41 3.95 1.000 Background pixels updated = 94.99% 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 1 -0.04 0.03 0.03 0.04 0.03 0.03 342822 173 0 0.78 27 1.92 2.41 3.98 1.000 21_0022 8 -0.20 0.13 -0.03 0.56 0.28 0.11 27528 33 0 0.83 32 1.93 2.40 4.01 1.000 22_0023 13 -0.02 -0.03 -0.00 0.38 0.14 0.10 50305 42 0 0.76 27 1.91 2.40 4.02 1.000 23_0024 14 -0.12 -0.16 -0.03 0.51 0.36 0.14 29417 37 0 0.80 29 1.90 2.39 3.98 1.000 24_0025 8 -0.59 -0.23 0.05 0.96 0.57 0.16 24133 24 0 0.78 28 1.94 2.39 3.98 1.000 25_0026 14 0.31 0.03 -0.04 1.32 0.25 0.12 11265 18 14 0.74 28 1.93 2.37 3.95 1.000 26_0027 5 0.04 0.00 -0.06 0.21 0.14 0.18 8728.0 12 0 0.78 27 1.92 2.36 3.94 1.000 27_0028 12 0.73 0.22 -0.09 1.71 0.90 0.17 35491 33 8 0.73 28 1.90 2.37 3.93 1.000 28_0029 9 -0.01 0.03 0.05 0.27 0.10 0.11 70351 70 0 0.81 30 1.89 2.36 3.94 1.000 29_0030 6 -0.02 0.07 0.01 0.17 0.15 0.07 43442 37 0 0.83 26 1.91 2.36 3.95 1.000 30_0031 5 0.01 -0.00 -0.08 0.06 0.03 0.21 90999 86 0 0.80 33 1.94 2.37 3.96 1.000 31_0032 8 0.16 -0.12 -0.05 0.38 0.23 0.09 46484 45 0 0.74 30 1.94 2.38 3.98 1.000 32_0033 8 0.11 0.14 -0.11 0.28 0.61 0.19 68425 58 0 0.82 33 1.95 2.42 3.99 1.000 33_0034 8 0.03 0.07 -0.01 0.19 0.28 0.07 101743 87 0 0.82 36 1.95 2.42 4.00 1.000 34_0035 8 -0.18 -0.00 -0.05 0.89 0.49 0.19 29642 39 0 0.78 32 1.94 2.41 4.01 1.000 35_0036 7 0.03 -0.05 -0.01 0.08 0.09 0.02 20130 29 0 0.80 37 1.94 2.42 4.03 1.000 36_0037 5 -0.02 -0.26 -0.11 0.28 0.34 0.14 34423 44 0 0.82 43 1.96 2.44 4.03 1.000 37_0038 16 0.43 0.04 -0.05 1.59 0.54 0.16 26485 28 13 0.73 31 1.98 2.46 4.03 1.000 38_0039 9 -0.19 -0.14 0.08 0.41 0.27 0.13 69228 52 11 0.76 30 1.98 2.47 4.02 1.000 39_0040 12 0.62 0.41 -0.03 2.31 1.66 0.21 33667 36 0 0.75 31 1.99 2.47 4.02 1.000 Background pixels updated = 95.27% 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 8 0.23 -0.11 -0.06 0.45 0.25 0.15 44714 35 0 0.74 28 1.99 2.47 4.02 1.000 41_0042 5 0.06 -0.07 -0.03 0.14 0.20 0.07 42933 59 0 0.82 40 1.99 2.48 4.02 1.000 42_0043 8 -0.20 0.11 -0.00 0.77 0.54 0.19 5477.1 8 13 0.58 28 2.00 2.49 4.00 1.000 43_0044 7 0.15 -0.20 -0.04 0.39 0.47 0.12 53095 38 0 0.70 28 2.00 2.49 4.00 1.000 44_0045 11 -0.02 -0.11 0.05 0.17 0.20 0.13 69023 58 0 0.79 30 1.99 2.51 4.02 1.000 45_0046 11 0.04 -0.12 0.01 0.25 0.20 0.07 86751 61 0 0.73 28 1.99 2.52 4.03 1.000 46_0047 8 -0.05 -0.17 0.09 0.29 0.31 0.16 71115 68 0 0.80 39 1.99 2.53 4.03 1.000 47_0048 5 0.05 -0.10 -0.11 0.14 0.19 0.24 11563 14 0 0.75 32 1.99 2.53 4.02 1.000 48_0049 10 -0.04 -0.06 0.05 0.25 0.11 0.06 32787 40 0 0.75 25 1.99 2.54 4.03 1.000 49_0050 2 0.12 -0.73 -0.11 0.21 1.04 0.16 81263 68 0 0.77 38 1.99 2.54 4.03 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 (301 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) 301 0 301 6.2067 0.9337 14.270 111.318 Orientation ('UB') matrix: 0.1435027 0.0362146 -0.0042985 0.0304976 -0.0026188 0.0770968 0.0666008 -0.0768313 -0.0046540 A B C Alpha Beta Gamma Vol 6.2476 11.7676 13.0124 90.000 96.563 90.000 950.40 0.0004 0.0008 0.0008 0.000 0.003 0.000 0.15 Corrected for goodness of fit: 0.0010 0.0021 0.0020 0.000 0.008 0.000 0.38 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.168 96.207 24.570 Goniometer zeros (deg): 0.0000* -0.0132 0.0000* -0.0177 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7681 -0.2854 0.0613 -0.1347 -0.1648 0.8566 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.38441e+03 5.87545e+03 2.58 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 301 301 296 Average input ESD (pix, pix, deg): 0.31521 0.24673 0.06058 Goodness of fit: 2.59522 2.99512 1.96934 Background pixels updated = 95.29% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 9 0.03 -0.12 -0.02 0.28 0.22 0.12 18157 20 22 0.68 30 1.98 2.54 4.03 1.000 51_0052 6 0.19 -0.11 -0.03 0.65 0.73 0.18 10505 16 17 0.74 32 1.98 2.54 4.04 1.000 52_0053 7 -0.05 -0.03 0.01 0.13 0.09 0.04 14303 19 0 0.67 28 1.97 2.54 4.02 1.000 53_0054 8 0.12 -0.29 0.04 0.51 0.44 0.18 20767 38 0 0.84 33 1.96 2.53 4.00 1.000 54_0055 12 0.41 0.00 -0.07 1.01 0.56 0.21 46235 37 0 0.73 29 1.95 2.54 4.01 1.000 55_0056 14 0.28 -0.15 -0.02 0.77 0.26 0.12 34163 40 7 0.78 30 1.95 2.55 4.00 1.000 56_0057 6 0.39 -0.19 -0.02 0.61 0.40 0.14 29073 32 0 0.69 27 1.95 2.56 4.01 1.000 57_0058 10 0.07 -0.15 0.01 0.19 0.21 0.08 20909 24 0 0.76 28 1.94 2.56 4.00 1.000 58_0059 5 -0.17 -0.15 0.11 0.27 0.18 0.14 51326 35 0 0.77 27 1.94 2.57 3.99 1.000 59_0060 9 0.15 -0.02 0.02 0.45 0.24 0.13 27191 27 0 0.75 29 1.94 2.58 3.99 1.000 Background pixels updated = 95.12% 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 5 -0.13 -0.14 0.06 0.32 0.21 0.07 30924 26 20 0.61 27 1.94 2.58 3.98 1.000 61_0062 8 0.22 -0.21 0.01 0.35 0.30 0.16 70398 53 0 0.70 28 1.94 2.59 3.99 1.000 62_0063 11 -0.03 0.08 0.04 0.76 0.55 0.16 15359 19 18 0.67 26 1.93 2.60 3.98 1.000 63_0064 1 0.72 -0.15 -0.13 0.72 0.15 0.13 4569.1 8 0 0.53 27 1.93 2.60 3.98 1.000 64_0065 11 -0.13 -0.16 0.14 0.24 0.25 0.18 66027 56 9 0.75 25 1.93 2.60 3.99 1.000 65_0066 11 0.03 -0.15 -0.01 0.23 0.31 0.14 38021 38 0 0.74 33 1.93 2.62 3.99 1.000 66_0067 8 -0.03 -0.25 0.03 0.40 0.41 0.18 39464 36 0 0.76 27 1.94 2.64 4.00 1.000 67_0068 12 0.02 -0.24 0.05 0.40 0.28 0.13 31540 32 0 0.76 29 1.95 2.65 3.98 1.000 68_0069 8 0.02 -0.12 0.07 0.33 0.27 0.14 61521 63 0 0.81 33 1.95 2.65 3.99 1.000 69_0070 6 0.06 -0.29 0.13 0.50 0.56 0.20 52450 56 17 0.70 39 1.94 2.65 3.99 1.000 70_0071 11 0.07 -0.24 0.07 0.14 0.32 0.12 62658 43 0 0.78 27 1.94 2.66 3.98 1.000 71_0072 9 0.58 -0.24 0.10 1.37 0.41 0.20 17463 22 22 0.67 28 1.94 2.66 3.98 1.000 72_0073 4 -0.17 -0.30 0.12 0.33 0.36 0.14 31583 34 25 0.62 27 1.94 2.67 3.98 1.000 73_0074 4 -0.12 -0.16 0.09 0.17 0.20 0.10 66094 52 0 0.76 23 1.93 2.67 3.98 1.000 74_0075 9 0.21 -0.28 0.06 0.45 0.40 0.21 46678 37 22 0.69 29 1.94 2.68 3.98 1.000 75_0076 10 0.19 -0.29 0.21 0.38 0.38 0.35 72694 61 10 0.74 36 1.95 2.69 3.98 1.000 76_0077 12 -0.05 -0.22 0.05 0.20 0.28 0.15 32386 27 0 0.72 28 1.95 2.70 3.97 1.000 77_0078 3 0.39 -0.30 -0.14 0.96 0.36 0.18 35614 43 0 0.70 33 1.95 2.70 3.96 1.000 78_0079 14 0.23 -0.03 -0.01 0.74 0.62 0.26 44803 42 7 0.70 30 1.95 2.71 3.96 1.000 79_0080 8 -0.10 -0.26 0.02 0.18 0.30 0.17 49224 47 0 0.80 32 1.95 2.72 3.95 1.000 Background pixels updated = 95.24% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80_0081 6 0.20 -0.18 0.14 0.36 0.37 0.21 31047 44 0 0.80 31 1.95 2.72 3.96 1.000 81_0082 7 -0.10 -0.34 0.17 0.28 0.38 0.20 37555 36 0 0.76 28 1.95 2.73 3.96 1.000 82_0083 12 0.08 -0.21 0.16 0.34 0.31 0.23 46065 42 0 0.77 29 1.95 2.73 3.96 1.000 83_0084 8 0.70 -0.27 0.01 1.08 0.53 0.27 38318 34 25 0.68 28 1.95 2.74 3.96 1.000 84_0085 5 -0.01 0.06 0.10 0.61 0.50 0.24 20029 22 20 0.62 29 1.95 2.74 3.97 1.000 85_0086 9 0.05 -0.28 0.08 0.23 0.30 0.16 25387 26 0 0.70 27 1.95 2.74 3.96 1.000 86_0087 10 -0.06 -0.51 0.05 0.36 0.63 0.18 41610 31 30 0.68 31 1.95 2.75 3.96 1.000 87_0088 7 -0.10 -0.11 0.26 0.21 0.24 0.35 55456 61 14 0.70 31 1.95 2.76 3.96 1.000 88_0089 7 -0.30 -0.37 0.19 0.40 0.49 0.20 65872 45 0 0.66 33 1.94 2.76 3.96 1.000 89_0090 9 -0.11 -0.22 0.22 0.28 0.31 0.25 121673 72 0 0.76 26 1.94 2.76 3.96 1.000 90_0091 7 1.10 -0.32 0.17 2.57 0.87 0.32 27093 30 14 0.71 27 1.94 2.77 3.97 1.000 91_0092 7 -0.49 -0.35 0.18 0.70 0.51 0.20 80798 71 0 0.72 30 1.95 2.77 3.97 1.000 92_0093 3 0.09 -0.27 0.09 0.16 0.30 0.18 20665 27 0 0.79 26 1.95 2.77 3.96 1.000 93_0094 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 20 1.95 2.77 3.96 1.000 94_0095 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.95 2.77 3.96 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_21_0095.sfrm I/Sigma = 50.52 Thresh = 0.020 Blend = F #Contributing = 213 InitialProfileWt = 0.000 Region 1 Sum = 17402.4; Maximum = 565.805; FM = 0.812 !Region 1: Section 1->3 0 1 2 2 1 0 0 0 0 0 2 5 8 3 1 1 0 0 0 2 6 12 6 1 0 0 0 0 1 3 4 2 1 1 1 0 0 4 12 21 8 2 1 1 0 0 4 17 34 18 3 1 1 0 0 1 2 3 2 1 1 1 0 0 4 13 21 9 2 2 1 0 0 4 22 45 26 4 2 1 0 0 1 1 2 1 1 1 1 0 0 3 10 15 7 2 2 1 0 1 3 19 44 28 6 2 1 0 0 0 1 1 1 1 1 1 0 0 1 5 10 5 2 2 1 0 0 2 10 33 27 6 2 1 0 0 0 1 1 1 1 0 0 0 1 1 2 4 3 2 1 1 0 1 1 4 15 15 4 1 1 0 0 1 0 1 1 1 0 0 0 1 1 1 2 2 1 1 1 0 1 1 2 4 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1 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 !Region 1: Section 4->6 0 0 3 8 6 2 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 10 29 27 5 1 1 0 0 1 3 14 20 4 1 0 1 0 0 1 3 5 2 1 1 0 1 2 16 53 54 10 2 1 0 0 1 6 34 49 11 2 1 1 0 1 2 9 16 5 1 1 1 0 2 17 69 76 18 2 1 0 0 1 8 52 81 25 3 1 1 0 1 2 16 34 15 2 1 0 0 2 10 63 86 24 3 1 0 0 1 6 53100 38 5 1 0 0 1 2 17 47 29 4 1 0 1 1 4 37 57 16 2 1 0 0 1 3 36 73 30 4 2 0 0 1 1 13 40 31 6 1 0 0 1 2 13 21 6 2 2 1 0 0 1 14 30 14 3 2 1 0 0 1 6 23 21 5 1 0 0 1 1 3 6 3 1 1 1 0 1 1 4 10 7 2 1 1 0 0 1 3 11 12 4 1 0 0 0 1 0 1 1 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 4 1 1 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 1 0 1 3 1 1 1 1 0 1 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 1 1 3 7 5 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 1 3 12 12 3 1 0 0 0 1 1 2 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 3 15 18 5 1 0 0 1 1 1 4 5 3 1 0 0 0 0 1 1 0 1 0 0 0 0 1 3 13 18 6 2 0 0 0 1 1 5 7 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 2 9 13 5 2 0 0 0 0 1 4 6 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 4 5 2 1 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 213.85 Thresh = 0.020 Blend = F #Contributing = 160 InitialProfileWt = 0.000 Region 2 Sum = 254248; Maximum = 18031.3; FM = 0.796 !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 1 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 7 2 0 0 0 0 0 0 5 13 6 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 7 20 6 1 0 0 0 0 1 14 43 16 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 7 21 8 0 0 0 0 0 1 15 53 23 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 4 16 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 5 1 0 0 0 0 0 2 5 3 0 0 0 0 0 0 1 2 2 0 0 0 0 0 1 15 46 18 1 0 0 0 0 0 12 40 15 1 0 0 0 0 0 6 22 9 1 0 0 0 0 1 26 86 38 1 0 0 0 0 1 31100 41 2 0 0 0 0 0 18 60 25 2 0 0 0 0 0 9 39 17 1 0 0 0 0 1 15 59 24 1 0 0 0 0 1 12 44 19 2 0 0 0 0 0 1 4 1 0 0 0 0 0 1 4 9 3 0 0 0 0 0 1 4 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 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 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 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 16 8 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 16 8 1 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 = 100.98 Thresh = 0.020 Blend = F #Contributing = 113 InitialProfileWt = 0.000 Region 3 Sum = 60894.3; Maximum = 3100.19; FM = 0.88 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 2 8 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 1 0 0 0 0 1 4 14 12 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 3 1 0 0 0 0 1 5 17 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 4 14 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 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 1 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 3 10 10 3 1 0 0 0 0 2 6 7 2 1 0 0 0 0 1 2 2 1 0 0 0 0 1 8 26 23 7 1 0 0 0 1 7 24 23 9 2 0 0 0 0 2 9 10 4 2 0 0 0 1 16 52 38 9 2 0 0 0 2 18 66 53 15 3 0 0 0 1 8 34 29 10 3 1 0 0 2 18 66 42 5 1 0 0 1 4 27100 68 10 1 0 0 0 2 17 62 42 8 1 0 0 1 3 15 43 19 2 1 0 0 2 5 26 71 36 3 1 0 0 2 5 19 46 25 2 1 0 0 1 2 6 11 3 1 0 0 1 2 3 11 20 8 1 0 0 1 3 5 10 17 7 1 0 0 0 0 1 1 2 1 0 0 0 0 1 1 3 4 1 0 0 0 1 2 3 5 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 8 4 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 19 12 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 15 7 1 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 7 9 3 1 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 45.09 Thresh = 0.020 Blend = F #Contributing = 39 InitialProfileWt = 0.009 Region 4 Sum = 15659.5; Maximum = 496.658; FM = 0.85 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 7 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 0 0 1 6 14 14 4 1 1 0 0 0 0 0 0 1 1 0 0 0 1 1 3 3 1 1 1 0 0 1 6 18 16 5 2 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 1 0 0 1 4 17 23 5 2 1 0 0 1 1 1 0 1 0 0 0 0 1 1 2 1 1 1 0 0 0 0 1 8 17 5 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 4 8 3 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 1 4 13 16 7 1 0 0 0 0 2 8 13 9 2 0 0 0 0 0 1 4 5 2 0 0 0 1 11 28 34 17 4 1 0 0 1 7 20 33 25 5 1 0 0 0 1 7 16 15 4 1 1 0 1 11 39 44 19 4 1 1 0 0 8 35 52 33 6 1 0 0 0 3 17 34 26 6 1 0 0 1 7 41 70 22 4 1 1 0 0 7 45 89 41 7 1 0 0 0 4 31 62 38 8 1 0 0 0 3 26 64 25 3 1 0 0 0 4 35100 55 6 1 0 0 0 4 26 79 60 9 2 0 0 0 2 13 33 16 2 1 0 0 0 3 20 63 49 6 1 0 0 0 2 16 60 64 10 1 0 0 0 1 7 14 7 2 1 0 0 0 2 11 31 26 5 1 0 0 1 2 11 34 40 9 1 0 0 0 1 3 5 3 1 1 0 0 0 1 7 14 12 4 1 0 0 0 2 8 20 22 7 1 1 0 0 0 1 1 1 0 0 0 0 0 1 2 3 3 1 0 0 0 0 1 3 6 7 2 0 0 !Region 4: Section 7->9 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 5 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 1 0 0 1 0 0 0 0 1 5 11 10 3 1 0 0 0 1 1 1 2 2 1 0 0 0 0 1 0 1 1 1 0 0 0 2 10 22 16 4 1 0 0 0 1 2 2 3 2 1 0 0 0 0 1 1 1 1 1 0 0 0 2 9 27 26 6 1 0 0 0 1 1 2 3 2 1 0 0 0 0 1 0 0 1 1 0 0 0 1 6 23 29 7 1 0 0 0 0 1 2 4 3 1 1 0 0 0 0 0 1 1 1 0 0 1 2 5 16 21 6 2 1 1 1 1 1 3 5 4 2 1 0 0 0 0 0 1 2 1 0 0 0 1 4 12 15 6 2 1 0 1 0 0 3 5 4 2 1 0 0 0 0 1 2 2 1 0 0 0 1 2 5 6 2 0 0 0 0 0 1 2 3 2 0 0 0 0 0 0 1 1 1 0 0 I/Sigma = 23.89 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.027 Region 5 Sum = 6505.28; Maximum = 178.812; FM = 0.836 !Region 5: Section 1->3 0 0 0 -1 0 0 0 0 0 0 0 2 1 1 1 1 0 0 0 2 9 10 3 1 1 1 0 0 1 0 0 0 0 -1 0 0 1 4 4 4 2 1 0 0 0 1 7 17 20 9 2 1 1 1 1 1 1 0 -1 -1 -1 0 -1 1 3 4 4 1 0 0 0 0 0 6 18 23 10 3 1 1 1 0 -1 1 0 -2 -1 -1 0 0 -1 0 3 4 1 1 0 0 1 0 4 17 33 18 5 2 1 1 -1 -1 -1 -2 -2 -1 0 -1 0 -1 -1 1 1 0 0 0 0 0 -1 0 6 21 19 6 0 1 0 0 -1 -1 0 0 -1 -1 -1 -1 0 -1 -1 1 0 -1 -1 -1 -1 0 -1 1 5 8 2 1 0 0 0 -1 -1 0 0 0 -1 -1 0 1 -1 0 0 0 0 0 -1 0 0 -1 0 1 3 2 1 0 0 -1 -1 0 -1 -1 0 -1 0 0 -1 -2 0 -1 -1 0 -1 0 0 -1 -2 -1 0 1 0 0 1 0 -1 -1 0 0 -1 0 0 0 0 -1 -1 0 0 -1 0 0 0 0 0 -1 0 -1 0 0 0 0 0 !Region 5: Section 4->6 0 2 11 18 8 2 0 0 0 0 1 6 14 10 2 0 0 0 0 0 2 4 5 1 0 0 0 1 8 24 40 23 5 1 0 0 0 5 16 35 28 9 1 0 0 0 2 6 13 16 7 2 1 1 1 10 32 49 31 10 2 0 0 0 7 24 45 42 17 3 0 0 0 3 9 20 30 17 4 2 1 1 8 32 73 57 19 4 1 0 0 7 27 70 79 39 8 3 0 0 3 11 34 56 40 10 3 0 0 3 14 55 68 27 5 2 0 1 3 13 59100 71 18 2 0 1 1 5 31 72 83 25 3 0 0 0 3 20 37 20 4 0 0 1 0 4 28 63 63 22 2 0 1 0 2 18 49 80 38 5 0 -1 0 0 5 13 10 3 0 0 0 0 1 8 24 31 14 2 0 0 -1 1 6 22 44 28 6 0 -1 -1 0 1 5 2 1 0 0 0 -1 1 1 10 11 8 1 0 0 -1 1 1 9 19 17 4 0 0 -1 0 0 1 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 0 0 3 5 5 1 0 !Region 5: Section 7->9 0 0 1 1 1 1 1 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 3 2 3 0 1 0 1 0 1 2 2 2 0 1 0 0 0 0 2 1 0 0 1 2 3 5 10 7 4 3 1 1 2 1 0 1 2 2 2 1 1 1 1 0 0 1 1 1 1 0 1 3 9 17 17 7 3 1 1 1 0 1 2 3 3 2 0 0 0 -1 0 0 0 0 1 0 0 0 2 8 22 34 13 3 0 0 0 0 0 2 4 5 3 0 0 0 0 0 0 1 1 2 0 1 0 1 6 17 36 22 5 0 0 0 1 1 3 5 8 6 1 0 0 1 0 1 0 2 4 1 0 0 0 4 9 25 21 9 1 0 0 0 1 2 6 10 8 3 0 0 0 0 0 1 3 4 2 0 0 2 2 5 14 15 7 1 0 2 1 1 1 6 9 6 2 0 1 0 -1 0 2 3 3 1 0 0 1 1 2 4 5 1 0 0 0 0 0 1 3 3 1 0 0 -1 0 -1 0 1 1 0 0 I/Sigma = 18.84 Thresh = 0.020 Blend = F #Contributing = 23 InitialProfileWt = 0.046 Region 6 Sum = 4358.46; Maximum = 106.63; FM = 0.776 !Region 6: Section 1->3 2 5 3 1 -1 -1 -1 0 1 3 12 7 3 0 1 -1 0 2 1 7 8 7 2 1 0 0 0 2 10 8 2 -2 0 0 0 1 6 25 22 10 1 2 1 0 2 2 18 31 24 10 2 1 -1 1 0 2 4 1 -2 0 0 1 -1 2 10 16 8 1 2 3 2 -1 2 14 37 30 13 5 2 0 0 0 -1 0 0 -1 0 0 0 -1 0 2 8 8 3 1 2 2 0 0 8 29 35 18 5 2 0 0 -1 -2 0 -2 -1 0 0 1 -1 0 0 7 7 3 2 3 2 0 1 7 22 37 21 7 4 2 1 0 -1 0 0 -3 -1 -1 2 1 1 0 2 5 -1 0 0 4 2 0 2 8 17 12 5 4 4 2 0 -2 0 0 -2 -1 1 1 2 0 0 0 1 -2 0 3 3 3 0 1 1 4 3 2 2 1 1 0 -2 -1 -2 0 -1 0 0 0 -1 -2 -2 1 1 -1 1 2 1 -1 0 0 2 1 0 0 0 0 0 0 -1 -1 0 -1 -1 0 0 1 -1 -1 0 1 0 -1 1 0 0 0 0 0 0 0 -1 0 -1 !Region 6: Section 4->6 0 3 8 14 7 1 -1 0 0 0 2 4 13 8 0 -1 0 0 0 1 1 2 2 0 -2 -1 0 0 7 32 56 39 7 1 -2 0 0 2 17 51 42 10 1 -1 0 0 1 3 14 14 5 -1 -2 -1 1 13 50 73 53 19 4 -1 -1 0 7 31 68 63 25 6 0 -1 -2 1 7 21 28 16 4 0 0 0 9 45 87 66 23 3 -1 0 0 5 32 83 82 45 11 0 0 -1 0 8 29 47 51 18 1 -1 0 5 28 85 76 30 7 0 -1 -1 0 17 80100 73 26 2 -1 -1 -1 5 30 63 97 49 6 0 -1 0 12 49 48 21 6 2 0 -2 -2 9 52 65 47 20 4 0 -1 -2 3 21 43 67 44 10 1 0 0 1 12 18 7 1 -3 -2 0 -1 0 14 26 18 7 -1 -1 1 0 0 7 20 29 24 9 1 -1 1 0 2 5 3 0 -2 -2 0 2 0 3 9 7 3 -1 -2 1 1 1 2 7 11 10 5 0 0 0 0 -1 -1 0 -1 -2 -1 0 0 0 -1 0 1 0 -1 -1 1 0 0 0 1 3 2 1 0 !Region 6: Section 7->9 1 0 -1 -3 -1 -1 -2 -2 -1 0 0 -1 -2 -2 -1 -1 -1 -1 0 0 0 0 -1 0 0 0 0 0 0 -2 -2 0 0 -3 -4 -2 0 -1 -1 -3 -1 0 -2 -1 -1 0 -1 0 0 0 0 0 2 0 -2 1 1 3 6 4 0 -1 -1 -1 0 0 -1 1 1 0 0 0 -1 0 0 0 1 1 1 1 0 -3 -2 -1 5 14 21 7 -2 -2 -1 -2 -1 0 1 1 0 -1 -1 0 -1 0 0 1 0 1 0 0 -2 -2 -1 4 20 45 27 2 -2 -1 -3 -2 -1 1 4 4 1 -1 0 -1 -1 -1 0 0 0 2 1 -1 -4 0 3 14 39 35 8 0 -1 -4 -1 -2 0 8 12 4 -1 0 -2 -1 -2 -1 1 2 1 -1 -1 1 -1 1 8 19 28 14 0 1 -1 -2 -2 1 4 14 8 -1 1 -1 -1 -1 0 0 1 1 -1 1 1 -1 -1 2 7 17 12 0 1 -1 -3 -2 0 2 11 9 -1 1 0 -2 -1 1 0 1 2 0 1 -1 -1 0 0 2 4 4 0 0 -1 -2 -1 -1 1 3 3 0 0 -1 -1 -1 0 0 0 1 0 I/Sigma = 24.80 Thresh = 0.020 Blend = F #Contributing = 25 InitialProfileWt = 0.041 Region 7 Sum = 5925.57; Maximum = 158.48; FM = 0.784 !Region 7: Section 1->3 1 3 1 0 0 0 0 0 0 2 6 5 1 0 0 0 0 0 1 4 5 4 3 1 0 0 0 3 6 4 0 -1 -1 -1 -1 0 5 16 15 5 0 1 1 0 0 2 13 19 18 9 2 2 0 0 1 6 7 1 0 0 -1 0 0 3 20 24 8 3 2 0 1 0 2 21 32 30 18 4 2 1 1 0 4 6 2 0 -1 -1 -1 0 1 18 26 9 4 2 0 1 0 2 22 41 38 19 6 2 2 1 1 1 1 1 0 0 -1 -1 -1 0 4 12 8 3 0 0 0 0 0 8 29 40 20 5 3 2 1 0 0 0 0 -1 0 0 -1 -1 -1 -1 3 1 0 1 0 0 -1 0 0 9 18 10 4 2 1 0 0 -1 0 0 0 -1 0 0 -1 0 -2 0 -1 1 1 1 1 0 0 -1 2 1 3 3 2 2 1 0 1 -1 0 -1 -1 -1 1 0 -1 0 -1 -1 0 0 -1 1 0 0 -1 -1 -2 1 2 1 2 0 0 0 0 0 -1 0 0 0 0 0 0 -1 -1 -1 -1 0 1 0 0 0 -1 -1 0 0 1 1 0 !Region 7: Section 4->6 0 0 3 6 4 1 0 0 0 0 -1 1 4 3 0 -1 0 0 0 0 0 1 1 1 0 1 0 0 3 14 36 26 4 1 0 0 0 0 8 27 22 3 1 0 0 0 0 2 5 6 4 2 1 0 0 7 28 71 55 10 2 1 1 -1 1 16 56 55 14 4 -1 0 -1 0 3 11 20 13 5 1 0 1 10 42 89 66 19 4 1 0 0 3 24 74 83 39 11 1 0 0 0 3 17 43 49 20 2 0 0 5 38100 71 19 5 2 0 -1 1 24 87 96 46 13 2 0 0 1 4 24 57 70 31 5 1 0 1 16 57 39 12 3 0 0 0 1 12 56 55 25 7 0 -1 0 1 3 18 37 42 24 4 -1 0 0 3 10 9 5 3 1 0 0 1 3 16 16 8 3 0 -1 0 0 2 9 17 21 14 4 0 0 -1 -1 0 2 2 0 1 0 0 0 0 3 6 3 1 0 0 0 1 0 3 8 10 7 2 0 0 0 -1 0 -1 0 1 1 0 0 0 -1 0 -1 0 0 0 0 0 0 0 1 2 3 2 1 0 !Region 7: Section 7->9 0 0 0 1 0 0 1 1 0 -1 0 -1 0 -1 -1 1 1 0 0 0 -1 -1 0 0 0 1 0 -1 0 1 0 3 4 2 1 0 -1 2 0 -1 2 2 1 1 0 -1 1 0 0 1 1 0 1 0 -1 -1 1 2 6 8 3 1 0 -1 -1 0 0 1 2 1 1 0 0 0 0 -1 0 -1 0 1 0 -1 -1 1 3 14 34 17 3 0 -1 -2 0 0 2 8 5 2 0 -1 -2 -1 -1 0 -1 1 2 0 0 1 1 4 20 57 32 7 1 -1 -1 0 -1 2 16 12 3 0 -1 -2 -1 -1 -2 1 2 1 0 0 0 0 4 17 40 34 7 0 -1 -1 -1 1 3 12 15 5 -1 -1 -1 0 1 -1 0 2 1 0 0 0 0 2 11 25 23 8 1 0 -1 -2 0 3 7 11 5 1 0 -1 -2 0 0 -1 1 1 0 0 -1 -1 1 6 13 10 3 1 0 -1 -3 -1 1 4 5 1 1 0 0 -1 -1 0 -1 0 0 0 0 -1 -1 0 3 4 3 1 0 0 0 -2 -1 1 1 1 0 0 0 0 -1 0 0 0 0 0 0 I/Sigma = 51.21 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.004 Region 8 Sum = 17676.6; Maximum = 558.143; FM = 0.805 !Region 8: Section 1->3 1 3 1 0 0 0 0 0 0 1 5 3 1 1 0 0 0 0 1 2 2 2 1 0 0 0 0 2 6 3 1 1 0 0 1 0 3 11 7 3 2 1 1 1 0 2 6 10 12 5 1 1 1 1 2 6 4 1 1 0 0 0 0 3 11 13 8 3 1 1 1 1 1 7 25 37 14 3 2 1 1 1 3 3 2 1 1 0 0 0 1 7 16 14 4 2 1 1 0 1 8 41 62 22 4 2 1 0 0 0 1 1 1 1 0 0 0 0 2 12 13 4 2 1 1 0 1 6 40 69 25 4 2 1 0 0 0 1 1 1 1 0 0 0 0 1 5 7 3 1 1 0 0 0 2 16 35 14 3 2 1 0 0 0 1 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 0 1 3 6 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 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 !Region 8: Section 4->6 0 1 2 2 1 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 8 16 7 2 1 1 1 0 1 3 7 4 1 1 1 1 0 0 1 2 3 1 1 0 0 1 3 22 51 24 4 2 1 1 0 1 7 25 25 9 2 1 1 0 1 1 7 21 12 2 0 0 1 5 39 87 47 9 3 1 0 0 2 12 49 72 30 4 1 0 0 1 3 20 73 49 7 1 0 1 5 40100 56 9 2 1 0 0 2 12 61 86 33 5 1 0 0 0 3 25 85 57 10 1 0 1 2 17 54 32 6 2 1 0 0 1 6 37 47 19 4 1 0 0 0 2 15 44 34 9 1 0 0 1 3 10 8 3 2 1 0 0 1 2 7 14 10 3 1 0 0 0 1 4 16 18 5 1 0 0 1 2 2 2 2 1 1 0 0 1 1 2 4 4 2 0 0 0 1 1 1 5 8 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 1 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 1 1 1 2 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 1 1 2 9 7 2 1 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 1 1 0 0 0 1 1 6 31 29 6 1 0 0 1 1 1 4 6 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 7 35 37 11 1 0 0 1 1 1 4 9 5 1 1 0 1 0 0 0 1 1 1 0 0 0 1 4 18 23 11 2 0 0 1 0 1 3 7 6 1 0 0 0 0 0 1 1 1 1 0 0 0 0 2 8 12 7 2 0 0 1 1 1 2 4 5 3 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 5 4 2 0 0 1 1 0 1 2 3 3 1 0 0 0 0 0 0 1 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 0 0 0 0 I/Sigma = 103.83 Thresh = 0.020 Blend = F #Contributing = 115 InitialProfileWt = 0.000 Region 9 Sum = 64089.9; Maximum = 3801.95; FM = 0.789 !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 1 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 2 5 8 3 1 0 0 0 0 1 6 12 5 1 0 0 0 0 1 3 6 2 0 0 0 0 0 1 8 22 13 1 0 0 0 0 1 10 36 26 3 1 0 0 0 1 2 4 2 0 0 0 0 0 1 6 20 19 3 0 0 0 0 1 8 41 51 10 1 0 0 0 0 1 2 1 0 0 0 0 0 0 2 6 7 2 0 0 0 0 0 3 14 25 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 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 3 9 6 1 0 0 0 0 0 1 5 5 1 0 0 0 0 0 0 2 2 1 0 0 0 0 1 7 37 40 7 1 0 0 0 0 3 26 40 8 1 0 0 0 0 1 10 19 6 1 0 0 0 0 6 56 97 25 2 0 0 0 0 3 47100 30 3 1 0 0 0 1 20 49 19 3 1 0 0 0 2 23 55 20 3 1 0 0 0 1 20 60 23 4 1 0 0 0 0 8 30 17 5 1 0 0 0 1 3 7 4 1 1 0 0 0 0 3 8 5 2 1 0 0 0 0 1 4 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 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 !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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 15 11 2 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 11 4 1 0 0 0 0 1 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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: 2 Total topped/rescanned pixels: 20 Minimum pixel ceiling(frame): 163809(neal054_21_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_21_0001.sfrm) Total spots predicted: 896 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 115* Outside frame limits: 40* Spots exceeding frame queue size: 1* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 2* 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: 2* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 734 Total spot components written: 734 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 734 Twin overlaps written: 0 Average Intensity: 43351.81 Average I/sigma: 52.709 % over "strong" threshold: 76.98 % less than 2 sigma: 4.90 % which spanned more than 1 frame: 88.96 Average X,Y,Z positional errors: 0.10 -0.09 0.02 RMS X,Y,Z positional errors: 0.76 0.44 0.18 % X,Y,Z more than 0.5 pixel: 15.94 11.99 1.36 % X,Y,Z more than 1.0 pixel: 6.68 3.41 0.14 Avg % profile volume populated: 98.24 Avg % profile volume integrated: 18.52 Avg % profile missing I: 1.58 Avg % profile missing volume: 1.76 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 88.89 100.00 100.00 Max % intensity on XYZ boundaries: 3.84 13.93 5.70 Average spot-shape correlation: 0.726 RMS spot-shape correlation: 0.749 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.240 0.186 23 1.0 2.0 0.295 0.131 13 2.0 4.0 0.481 0.157 35 4.0 8.0 0.657 0.116 58 8.0 16.0 0.752 0.112 110 16.0 32.0 0.775 0.103 202 32.0 64.0 0.784 0.113 166 64.0 128.0 0.842 0.106 86 128.0 256.0 0.855 0.108 41 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): 310.055 Elapsed since INTEGRATE command (sec): 308.579 Integration time, this run (sec): 6.030 Time in unit-cell LS (sec): 0.019 Per-frame integration time (sec): 0.064 Integration completed normally ======================== 10/26/2021 10:27:03 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 0.9629499 will be applied to LS-fit intensities Number of spots read: 734 Number of LS-fit intensities scaled: 134 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 734 Sorting Reflection File ============================== 10/26/2021 10:27:03 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_21.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... 734 spot components in 734 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 734 spot components in 734 spots written to file /smb/isengard/data/neal054/work/neal054_21.raw Computing Reflection File Statistics ========== 10/26/2021 10:27:03 Integration of neal054 ................................................................................... Statistics for reflections in neal054_21.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 734 Number of reflection records read = 734 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 734 Number of spot components used = 734 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_21.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 6.248 11.768 13.012 90.000 96.563 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 15 2 14 3 33.3 5306.487 7.65 10.61 0.362 0.005 1.6 0.000 0.456 0.00 3.3 .40-.14 4.3 1.7 .29 32.000 25 7 20 12 8.0 5940.520 9.33 10.69 0.148 -0.006 1.3 0.000 0.279 0.00 .13 .00 .01 1.1 .46 .35 64.000 42 11 36 17 26.2 8094.062 11.83 10.76 0.145 0.006 1.5 0.000 0.325 0.00 .07-.18 .03 .94 .63 .18 96.000 69 21 53 37 11.6 10841.466 15.93 10.74 0.140 -0.002 1.9 0.000 0.282 0.00 .23-.08-.03 .74 .56 .17 128.000 60 18 43 35 6.7 13861.912 19.08 10.95 0.123 0.000 2.1 0.000 0.252 0.00 .13-.12-.07 .51 .49 .17 160.000 117 44 77 84 4.3 19195.608 24.20 11.14 0.073 0.001 1.6 0.000 0.148 0.00-.01-.15 .02 .25 .35 .14 192.000 101 55 68 88 0.0 30543.827 34.98 11.38 0.083 0.010 2.7 0.000 0.161 0.00 .00-.12 .01 .13 .25 .14 224.000 113 62 82 93 0.0 44488.411 48.26 11.70 0.093 0.007 4.1 0.000 0.184 0.00 .08-.11 .04 .12 .30 .14 256.000 96 39 80 55 1.0 66272.779 73.54 12.46 0.105 0.010 7.1 0.000 0.222 0.00-.08-.10 .05 .15 .20 .16 288.000 59 18 50 27 0.0 123775.79 128.38 13.02 0.110 -0.003 13.6 0.000 0.242 0.00-.06-.05 .05 .14 .15 .16 320.000 20 8 18 10 0.0 161783.67 193.64 14.01 0.174 0.009 29.4 0.178 0.281 0.39 .07-.03 .16 .21 .21 .28 352.000 5 3 5 3 0.0 137457.58 235.16 12.53 0.189 -0.065 40.7 0.000 0.374 0.39-.01-.05 .19 .17 .09 .37 384.000 1 0 1 0 0.0 32089.199 180.48 12.04 0.000 0.000 0.0 0.000 0.000 0.00 .03 .03-.02 .03 .03 .02 416.000 2 0 2 0 0.0 401418.00 416.19 11.78 0.000 0.000 0.0 0.000 0.000 0.00-.21 .11 .13 .28 .11 .19 448.000 5 2 5 2 0.0 104025.94 157.73 11.09 0.285 -0.086 39.0 0.276 0.421 0.39 .02 .06 .16 .47 .11 .21 480.000 4 3 4 3 0.0 90712.825 147.81 11.06 0.136 -0.130 16.8 0.000 0.272 0.00-.19 .01 .25 .33 .13 .35 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 24 14 24 14 4.2 26353.419 40.45 10.76 0.150 -0.015 2.6 0.000 0.300 0.00 .69 .54-.04 1.8 1.6 .29 32.000 41 22 41 22 4.9 24591.239 33.89 10.89 0.144 -0.028 4.9 0.000 0.288 0.00 .10-.15 .06 .64 .48 .19 64.000 66 43 66 43 7.6 45025.933 57.54 11.19 0.139 -0.052 5.8 0.000 0.278 0.00 .10-.11 .06 .53 .36 .23 96.000 89 66 88 67 3.4 46033.392 57.86 11.55 0.097 -0.042 5.2 0.000 0.193 0.39 .13-.09 .06 .78 .30 .20 128.000 114 81 111 84 4.4 51478.453 60.62 12.04 0.103 0.005 6.4 0.178 0.202 0.39 .11-.07 .05 .72 .19 .17 160.000 117 84 113 88 3.4 55240.347 60.94 12.17 0.110 0.052 5.2 0.000 0.225 0.00 .03-.07 .05 .54 .14 .15 192.000 106 65 104 67 3.8 47159.713 54.16 11.83 0.098 0.013 3.5 0.000 0.196 0.00 .06-.05 .03 .72 .16 .13 224.000 78 41 78 41 6.4 35686.750 45.31 11.34 0.103 -0.009 3.2 0.276 0.180 0.39 .23-.15-.02 1.0 .39 .14 256.000 53 25 53 25 5.7 30211.252 40.28 11.05 0.127 -0.032 3.9 0.000 0.254 0.00-.06-.13-.04 .59 .48 .16 288.000 35 13 35 13 8.6 29460.375 38.03 10.88 0.123 0.022 2.6 0.000 0.247 0.00-.01-.29-.10 .47 .57 .20 320.000 11 5 11 5 9.1 32344.493 34.36 10.99 0.069 -0.034 2.1 0.000 0.137 0.00 .18-.88-.12 .48 .99 .18 352.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 384.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 416.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 448.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 480.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 22 10 22 10 4.5 47524.529 56.19 11.51 0.063 -0.003 2.4 0.000 0.125 0.00-.08-.09-.01 .16 .18 .12 30.000 72 36 68 40 0.0 58153.339 65.36 11.88 0.117 0.018 4.3 0.000 0.223 0.00-.04-.06-.01 .13 .20 .12 60.000 118 74 111 81 0.8 56004.728 61.44 12.03 0.097 0.032 4.1 0.000 0.197 0.00-.05-.11 .01 .17 .26 .12 90.000 117 81 112 86 3.4 55187.970 62.68 12.14 0.098 0.032 4.7 0.000 0.201 0.00 .02-.12 .03 .22 .27 .16 120.000 119 83 113 89 5.0 40722.185 48.29 11.75 0.098 -0.025 5.5 0.178 0.195 0.39 .03-.16 .04 .29 .29 .15 150.000 85 57 83 59 1.2 34729.833 44.15 11.36 0.108 -0.041 5.1 0.000 0.214 0.39 .06-.12 .06 .52 .33 .21 180.000 86 48 81 53 11.6 32079.078 43.86 10.97 0.160 -0.059 6.2 0.276 0.306 0.39 .18-.17 .02 .58 .40 .16 210.000 61 29 60 30 4.9 32161.085 43.21 10.83 0.162 -0.044 5.0 0.000 0.325 0.00 .10-.11 .05 .88 .42 .21 240.000 37 15 37 15 18.9 22701.838 34.71 10.74 0.159 -0.005 1.7 0.000 0.319 0.00 .99 .09-.04 2.2 .79 .25 270.000 17 6 17 6 17.6 9115.549 17.81 10.68 0.244 0.008 1.8 0.000 0.489 0.00 1.1 .66-.01 2.8 1.8 .41 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 73 40 72 41 9.6 22084.100 26.95 10.91 0.096 -0.001 2.2 0.000 0.189 0.00 .04-.30-.07 .61 .66 .18 2.000 26 2 26 2 0.0 52921.523 79.06 11.19 0.204 -0.028 25.5 0.000 0.407 0.00-.16-.18-.08 .29 .34 .19 3.000 469 190 331 328 6.0 23227.506 29.37 11.21 0.091 0.007 2.6 0.000 0.181 0.00 .18-.07 .02 .91 .47 .17 4.000 166 55 123 98 0.6 108011.24 116.82 12.96 0.122 -0.002 12.8 0.216 0.226 0.39-.04-.05 .10 .15 .14 .19 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 224 109 194 139 0.9 55093.155 61.60 11.95 0.097 0.023 4.0 0.000 0.197 0.00-.04-.09 .00 .15 .24 .12 2.000 8 5 8 5 0.0 83910.538 149.40 11.31 0.182 -0.137 25.7 0.276 0.318 0.39 .08-.04 .21 .31 .09 .31 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 9 5 9 5 11.1 24237.559 25.91 10.94 0.076 -0.018 1.5 0.000 0.152 0.00 .33-.84-.15 .45 .95 .19 6.000 86 34 79 41 12.8 10725.872 14.53 10.80 0.120 -0.017 1.6 0.000 0.253 0.00 .43-.21-.04 1.5 .58 .19 7.000 206 95 174 127 10.2 13220.717 18.68 10.98 0.097 0.002 1.9 0.000 0.185 0.00 .17-.02 .01 1.0 .60 .19 8.000 174 106 142 138 0.6 54614.645 61.45 11.85 0.097 -0.034 5.8 0.000 0.206 0.00 .07-.11 .07 .16 .30 .19 9.000 27 10 23 14 0.0 201205.02 221.87 13.98 0.161 0.027 32.3 0.178 0.270 0.39-.06 .02 .14 .20 .08 .23 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.220 25 9 25 9 0.0 42108.637 46.36 11.63 0.175 -0.067 16.8 0.000 0.350 0.00 .01 .03-.01 .17 .12 .14 6.706 43 18 43 18 0.0 32149.628 41.20 11.35 0.120 -0.018 4.3 0.000 0.240 0.00 .06 .00-.03 .44 .24 .12 11.193 42 15 42 15 9.5 53024.723 65.73 11.53 0.134 -0.021 8.1 0.276 0.231 0.39 .26 .06-.01 .72 .45 .28 15.679 26 10 26 10 3.8 57156.972 58.96 11.57 0.120 -0.008 5.2 0.000 0.240 0.00 .29-.03-.01 1.3 .21 .09 20.166 46 26 46 26 2.2 33189.270 43.27 11.42 0.084 -0.037 4.6 0.000 0.168 0.00-.18-.09-.02 .58 .34 .13 24.652 42 24 42 24 4.8 34478.304 44.90 11.53 0.140 -0.091 6.5 0.000 0.281 0.00 .32 .09-.03 1.2 .50 .13 29.139 31 16 31 16 0.0 73930.664 76.24 11.76 0.170 -0.066 11.0 0.000 0.340 0.00 .07 .03-.05 .26 .37 .14 33.625 39 23 39 23 5.1 38006.011 49.43 11.37 0.130 -0.043 4.9 0.000 0.260 0.00 .14-.04-.04 1.1 .44 .14 38.112 41 25 41 25 4.9 28083.094 39.55 11.31 0.067 0.020 2.3 0.000 0.134 0.00 .16 .07-.02 1.3 .96 .17 42.598 38 33 38 33 0.0 67584.602 76.87 11.69 0.094 -0.008 5.6 0.000 0.189 0.00 .03-.12 .02 .27 .22 .14 47.085 30 22 30 22 10.0 26220.920 36.34 11.62 0.105 -0.025 5.0 0.000 0.211 0.00 .04-.13-.00 .37 .45 .12 51.571 41 29 41 29 2.4 31356.206 44.27 11.65 0.078 0.041 2.9 0.000 0.153 0.39 .28-.13-.03 .78 .42 .16 56.058 35 31 35 31 2.9 30223.220 35.77 11.42 0.097 0.034 3.0 0.000 0.193 0.00 .05-.12 .03 .33 .22 .11 60.544 36 27 36 27 8.3 49776.231 60.29 11.83 0.067 0.009 3.8 0.000 0.134 0.00 .01-.09 .07 .49 .36 .17 65.031 37 28 37 28 2.7 42127.186 52.63 11.48 0.125 0.040 4.0 0.000 0.249 0.00 .03-.22 .05 .38 .38 .15 69.517 33 28 33 28 15.2 42538.732 50.25 11.65 0.072 0.044 2.6 0.000 0.144 0.00 .18-.23 .07 .77 .35 .17 74.004 43 33 43 33 4.7 46280.465 56.13 11.56 0.081 0.017 2.7 0.000 0.162 0.00 .13-.19 .04 .54 .45 .24 78.490 39 30 39 30 5.1 40179.119 46.17 11.77 0.110 0.037 3.9 0.178 0.207 0.39 .17-.25 .12 .56 .38 .22 82.977 32 22 32 22 15.6 37810.680 46.42 11.53 0.112 0.044 3.3 0.000 0.224 0.00-.02-.28 .11 .36 .47 .21 87.463 35 20 35 20 2.9 72669.531 76.58 11.97 0.149 0.079 9.3 0.000 0.298 0.00 .04-.29 .20 1.2 .53 .27 91.950 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.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 6 3 6 3 0.0 43201.933 46.73 12.17 0.184 -0.065 29.2 0.000 0.368 0.00 .02 .10-.03 .22 .14 .12 50.000 87 33 87 33 3.4 43222.316 52.84 11.40 0.144 -0.034 6.7 0.276 0.269 0.39 .05 .01-.03 .37 .23 .16 60.000 79 36 79 36 2.5 43589.524 51.95 11.54 0.102 -0.019 5.6 0.000 0.204 0.00 .16 .00-.01 .95 .37 .19 70.000 83 46 83 46 3.6 47611.925 56.50 11.58 0.147 -0.072 7.4 0.000 0.293 0.00 .13 .02-.03 .92 .45 .14 80.000 86 53 86 53 4.7 34794.784 45.90 11.37 0.091 -0.007 3.6 0.000 0.183 0.00 .16 .00-.03 1.2 .73 .16 90.000 79 61 79 61 3.8 41436.986 55.96 11.64 0.098 -0.014 5.0 0.000 0.195 0.39 .04-.13 .01 .36 .34 .14 100.000 77 62 77 62 5.2 36008.648 43.89 11.55 0.082 0.025 2.8 0.000 0.163 0.00 .16-.10 .01 .64 .38 .14 110.000 85 66 84 67 7.1 45665.297 54.76 11.65 0.091 0.037 3.7 0.000 0.181 0.00 .07-.22 .07 .55 .35 .16 120.000 87 65 85 67 5.7 44657.398 52.41 11.69 0.095 0.029 3.4 0.178 0.183 0.39 .14-.21 .08 .54 .41 .23 130.000 65 39 63 41 9.2 55253.342 63.17 11.73 0.138 0.066 6.0 0.000 0.273 0.00 .01-.28 .15 .93 .50 .24 140.000 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_21.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 16.180 148 59 148 59 3.4 44833.692 53.47 11.49 0.129 -0.027 7.3 0.276 0.249 0.39 .14 .03-.02 .73 .30 .18 16.230 126 71 126 71 3.2 41571.675 51.34 11.54 0.138 -0.065 6.7 0.000 0.275 0.00 .10-.00-.03 .96 .44 .14 16.280 184 123 175 132 3.8 39064.556 50.92 11.54 0.092 0.005 4.1 0.000 0.194 0.39 .12-.08-.00 .78 .55 .14 16.330 143 101 129 115 7.7 42773.030 51.08 11.57 0.082 0.024 3.2 0.000 0.168 0.00 .06-.18 .06 .51 .35 .16 16.380 133 84 125 92 6.8 49878.396 57.86 11.73 0.123 0.051 4.7 0.178 0.245 0.39 .09-.24 .12 .77 .47 .24 16.430 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.480 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 16.530 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.580 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.630 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.680 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.730 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.780 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 16.830 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.880 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.930 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.980 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.030 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.080 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.130 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.180 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 22.000 734 234 499 469 4.9 43340.144 52.87 11.57 0.108 0.000 4.8 0.216 0.202 0.39 .10-.09 .02 .76 .44 .18 23.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 11 3 11 3100.0 -455.983 -1.46 10.85 0.891 -0.487 2.3 0.000 1.783 0.00 .83-.12 .02 1.5 .54 .26 0.100 9 5 8 6 88.9 115.702 0.29 10.82 0.838 0.171 1.2 0.000 1.479 0.00 1.2 .29-.02 3.1 .85 .30 0.200 11 6 10 7 54.5 532.448 1.41 10.80 0.877 -0.102 1.7 0.000 1.960 0.00 .95 .19-.10 1.8 .76 .23 0.300 14 9 13 10 35.7 927.757 2.46 10.82 0.379 0.110 1.1 0.000 0.827 0.00 .21 .02-.01 1.3 .61 .20 0.400 24 19 24 19 20.8 6515.885 14.08 11.29 0.093 -0.042 1.6 0.000 0.186 0.00 .22-.06 .04 .89 .58 .33 0.500 62 40 62 40 1.6 23595.197 32.31 11.48 0.083 0.018 2.8 0.000 0.166 0.00 .27 .08 .01 1.2 .88 .18 0.600 128 85 119 94 0.0 38723.958 44.30 11.54 0.079 0.013 3.0 0.000 0.162 0.00 .17-.12-.00 .77 .33 .15 0.700 161 93 150 104 0.0 41495.090 46.96 11.57 0.127 -0.003 5.0 0.178 0.243 0.39 .03-.15 .04 .51 .27 .14 0.800 232 127 213 146 0.0 45843.427 52.92 11.67 0.108 0.012 5.6 0.276 0.209 0.39-.03-.13 .03 .32 .37 .16 0.900 82 37 79 40 0.0 96395.852 107.23 11.92 0.127 -0.024 11.2 0.000 0.238 0.39 .01-.08 .05 .24 .26 .18 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 716 234 485 465 4.5 43937.805 53.60 11.59 0.108 0.000 4.8 0.216 0.201 0.39 .04-.11 .03 .48 .32 .17 0.050 3 2 3 2 0.0 14374.900 17.47 10.86 0.110 -0.004 2.3 0.000 0.219 0.00 .58-.40-.19 .61 1.3 .19 0.100 6 1 6 1 33.3 6459.295 12.29 10.72 3.338 -0.036 2.1 0.000 6.675 0.00 1.8 1.2-.31 2.7 1.8 .35 0.150 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 2 1 2 1 50.0 47835.025 48.03 10.82 0.062 -0.062 3.7 0.000 0.123 0.00 2.4-.21-.22 3.5 1.0 .22 0.250 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.300 1 0 1 0 0.0 6308.700 8.66 10.52 0.000 0.000 0.0 0.000 0.000 0.00 7.9 5.7-.59 7.9 5.7 .59 0.350 2 0 2 0 0.0 8799.650 8.95 10.64 0.000 0.000 0.0 0.000 0.000 0.00 4.9-.97-.28 5.2 1.5 .30 0.400 1 0 1 0 0.0 103223.00 92.08 10.89 0.000 0.000 0.0 0.000 0.000 0.00-.17 .45-.15 .17 .45 .15 0.450 2 0 2 0 50.0 5530.631 6.07 10.63 0.000 0.000 0.0 0.000 0.000 0.00 5.9-.60-.21 5.9 .61 .21 0.500 1 0 1 0 0.0 36454.398 23.96 10.71 0.000 0.000 0.0 0.000 0.000 0.00 .46 .76-.15 .46 .76 .15 0.550 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 57 34 53 38 0.0 23487.529 35.85 11.41 0.112 -0.039 3.8 0.000 0.223 0.00 .03-.08 .01 .46 .31 .17 0.050 45 29 44 30 2.2 43151.636 46.98 11.49 0.150 -0.047 6.5 0.216 0.269 0.39 .09-.11 .02 .57 .46 .17 0.100 32 22 32 22 0.0 36898.966 52.28 11.77 0.114 -0.034 5.5 0.000 0.229 0.00 .11-.18-.01 .42 .33 .18 0.150 35 19 34 20 8.6 37893.285 50.39 11.25 0.103 0.020 4.5 0.000 0.227 0.00 .34-.24 .02 1.2 .47 .21 0.200 43 28 43 28 0.0 39008.407 46.12 11.67 0.140 0.018 6.3 0.000 0.280 0.00 .30-.07 .00 .95 .52 .15 0.250 33 18 33 18 3.0 51437.211 58.50 11.58 0.116 -0.039 4.8 0.000 0.232 0.00 .31-.08-.06 1.2 .43 .17 0.300 26 16 26 16 3.8 51112.925 55.51 11.80 0.073 0.016 2.6 0.000 0.145 0.00 .19 .02-.00 .62 .36 .14 0.350 31 17 31 17 9.7 44062.043 53.01 11.51 0.109 0.005 5.5 0.000 0.218 0.00 .42-.10-.03 1.1 .41 .13 0.400 38 25 37 26 2.6 69822.262 76.68 12.11 0.100 0.002 5.8 0.000 0.202 0.00 .01-.12 .10 .17 .23 .17 0.450 31 21 31 21 3.2 53842.716 61.02 11.48 0.078 0.013 4.2 0.000 0.155 0.00 .05-.22 .05 .29 .36 .21 0.500 32 19 31 20 3.1 90341.283 96.00 11.69 0.157 0.006 12.2 0.000 0.287 0.00 .08-.14 .01 .51 .26 .14 0.550 23 18 23 18 4.3 48554.214 56.06 11.63 0.075 -0.019 4.0 0.000 0.150 0.00-.03-.11 .05 .23 .26 .12 0.600 23 12 23 12 4.3 36070.217 49.06 11.94 0.126 0.049 5.1 0.000 0.247 0.39-.18-.04 .04 .40 .24 .13 0.650 27 14 25 16 7.4 59573.490 55.98 11.53 0.050 0.018 2.2 0.000 0.102 0.00-.13-.14 .03 .47 .52 .13 0.700 31 19 30 20 6.5 50220.955 55.73 11.76 0.091 0.006 3.8 0.000 0.172 0.00 .49 .29-.04 1.8 1.1 .21 0.750 27 22 27 22 0.0 40815.159 48.05 11.68 0.079 -0.029 3.5 0.000 0.159 0.00-.09-.01 .04 .25 .25 .13 0.800 55 28 53 30 3.6 36548.465 43.61 11.42 0.122 0.004 4.4 0.000 0.232 0.00-.06-.13 .05 .34 .26 .17 0.850 41 30 41 30 12.2 35681.904 49.29 11.84 0.116 0.048 6.8 0.000 0.231 0.00 .00-.14 .08 .75 .45 .19 0.900 62 38 61 39 14.5 25078.342 37.62 11.23 0.108 -0.001 2.7 0.000 0.215 0.00 .17-.10 .01 .77 .40 .26 0.950 42 25 41 26 4.8 35699.880 44.92 11.31 0.075 0.013 2.0 0.000 0.152 0.00-.07-.09 .05 .62 .35 .15 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.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 1620.338 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3240.676 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6481.352 9 7 9 7 0.0 7173.157 15.92 12.03 0.144 0.059 2.4 0.000 0.287 0.00 .01-.02 .02 .16 .11 .23 12962.703 256 146 191 211 2.3 27524.860 34.42 11.75 0.093 0.007 3.1 0.000 0.189 0.00-.02-.07 .04 .18 .15 .13 25925.406 255 122 223 154 4.3 38604.056 46.46 11.51 0.108 0.002 4.9 0.000 0.201 0.00 .06-.14 .01 .42 .29 .15 51850.812 171 67 157 81 9.4 43237.057 53.04 11.21 0.090 -0.003 4.5 0.178 0.186 0.39 .30-.13-.00 1.2 .65 .23 103701.625 30 11 27 14 10.0 132929.23 139.55 12.28 0.159 0.015 23.7 0.276 0.292 0.39 .48 .26 .04 2.1 1.2 .26 207403.250 12 2 12 2 0.0 251012.08 248.82 12.04 0.229 -0.036 58.7 0.000 0.457 0.00 .03 .03 .10 .41 .26 .27 414806.500 1 0 1 0 0.0 463150.00 506.73 11.88 0.000 0.000 0.0 0.000 0.000 0.00-.01 .09 .27 .01 .09 .27 829613.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.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 1.629 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.258 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.888 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.517 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.146 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.775 457 162 350 269 7.7 21697.173 28.95 10.97 0.114 -0.018 2.9 0.276 0.234 0.39 .17-.11-.01 .96 .55 .19 11.404 193 107 156 144 0.5 57144.231 64.10 11.96 0.097 -0.009 4.9 0.000 0.209 0.00 .00-.07 .06 .12 .14 .15 13.034 72 34 58 48 0.0 116671.17 111.91 13.67 0.106 0.012 10.9 0.000 0.203 0.39-.05-.03 .10 .09 .07 .16 14.663 12 7 11 8 0.0 205574.69 205.29 15.60 0.157 0.072 30.5 0.178 0.283 0.39-.00-.02 .16 .05 .03 .19 16.292 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 7 1 7 1 28.6 2783.208 5.20 10.7011.007 -0.032 1.5 0.00022.014 0.00-1.8 .38 .27 1.9 1.2 .28 -1.380 1 0 1 0 0.0 16114.100 17.19 10.80 0.000 0.000 0.0 0.000 0.000 0.00-1.4-.70 .27 1.4 .70 .27 -1.260 2 1 2 1 0.0 9594.824 15.33 10.77 0.850 0.034 2.2 0.000 1.700 0.00-1.2-.19 .31 1.2 .33 .31 -1.140 2 1 2 1 50.0 1803.274 4.67 10.99 0.414 -0.043 0.5 0.000 0.827 0.00-1.1-.39 .36 1.1 .41 .37 -1.020 1 0 1 0 0.0 16173.000 18.29 10.68 0.000 0.000 0.0 0.000 0.000 0.00-.91-.98 .29 .91 .98 .29 -0.900 4 1 4 1 0.0 73159.033 96.13 11.00 0.902 0.002 2.3 0.000 1.804 0.00-.84-.23-.04 .84 .52 .26 -0.780 8 4 8 4 0.0 6678.146 10.30 10.71 0.087 0.007 1.1 0.000 0.174 0.00-.72-.25 .14 .72 .47 .15 -0.660 6 4 6 4 33.3 2568.944 5.80 10.84 0.402 -0.307 4.1 0.000 0.804 0.00-.61-.38 .22 .61 .49 .25 -0.540 17 7 17 7 23.5 12383.499 20.15 10.96 0.052 0.001 0.6 0.000 0.104 0.00-.48-.09 .10 .49 .36 .16 -0.420 32 18 30 20 6.2 29192.596 39.97 11.02 0.101 0.005 1.9 0.000 0.218 0.00-.35-.12 .09 .35 .23 .19 -0.300 48 23 47 24 0.0 31739.554 39.76 11.36 0.120 0.034 2.8 0.000 0.241 0.00-.22-.10 .05 .23 .22 .12 -0.180 110 63 102 71 0.0 59659.739 61.21 12.03 0.090 0.013 4.2 0.000 0.178 0.00-.12-.07 .05 .12 .17 .15 -0.060 228 121 192 157 2.2 66223.042 73.54 12.09 0.110 0.006 7.1 0.178 0.212 0.39-.00-.07 .04 .04 .21 .14 0.060 117 74 106 85 0.0 39959.331 47.56 11.51 0.110 -0.041 5.3 0.276 0.216 0.39 .11-.15 .03 .12 .24 .13 0.180 40 26 39 27 2.5 25487.698 31.18 11.08 0.127 -0.012 3.4 0.000 0.261 0.00 .23-.20-.03 .23 .36 .14 0.300 24 19 23 20 0.0 14903.210 24.72 11.14 0.084 -0.001 2.0 0.000 0.165 0.00 .35-.31-.06 .35 .50 .25 0.420 14 9 14 9 14.3 22033.236 32.45 10.80 0.221 -0.074 6.0 0.000 0.442 0.00 .48 .04-.07 .48 .34 .19 0.540 16 11 16 11 0.0 7400.284 12.02 10.87 0.113 -0.003 1.1 0.000 0.225 0.00 .59-.21-.16 .59 .49 .18 0.660 12 6 11 7 8.3 7781.586 12.79 10.80 0.302 -0.026 1.9 0.000 0.605 0.00 .72-.19-.17 .72 .70 .17 0.780 4 2 4 2 0.0 78454.000 90.88 10.90 0.087 0.008 1.4 0.000 0.174 0.00 .84-.18 .09 .85 .38 .42 0.900 5 2 5 2 40.0 7913.279 13.02 10.71 0.890 0.000 1.6 0.000 1.780 0.00 .97-.09-.12 .97 .47 .12 1.020 5 2 4 3 40.0 4707.312 7.85 10.79 0.838 -0.027 2.2 0.000 4.647 0.00 1.1-.11-.18 1.1 .76 .19 1.140 4 2 4 2 50.0 3554.199 7.26 10.79 0.114 -0.009 1.5 0.000 0.227 0.00 1.2-.13-.31 1.2 1.2 .32 1.260 3 2 3 2 33.3 3797.075 7.13 10.72 0.506 -0.350 3.6 0.000 1.012 0.00 1.3 .12-.28 1.3 .41 .28 1.380 24 6 22 8 37.5 2950.684 5.30 10.68 0.184 0.024 1.1 0.000 0.323 0.00 3.1 .42-.17 3.7 1.6 .42 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 3 2 3 2 33.3 9980.977 13.55 10.91 0.083 -0.071 1.3 0.000 0.166 0.00 2.6-1.7-.30 3.8 1.7 .31 -1.380 1 1 1 1100.0 413.616 0.62 10.88 3.338 -3.338 2.1 0.000 6.675 0.00 1.1-1.3-.07 1.1 1.3 .07 -1.260 3 1 3 1 0.0 38013.201 37.64 10.94 0.062 -0.052 3.7 0.000 0.123 0.00 .63-1.2-.21 .86 1.2 .22 -1.140 5 3 5 3 20.0 3959.180 7.16 10.79 0.258 -0.045 1.4 0.000 0.516 0.00 1.3-1.1-.06 2.1 1.1 .36 -1.020 8 2 8 2 0.0 23721.100 34.46 10.79 0.414 -0.021 6.9 0.000 0.828 0.00-.49-.96-.02 1.2 .96 .29 -0.900 5 3 5 3 20.0 26604.167 29.80 10.90 0.127 -0.046 3.0 0.000 0.254 0.00 .59-.86-.09 .73 .86 .27 -0.780 11 4 11 4 18.2 44899.357 55.76 10.94 0.113 0.015 2.5 0.000 0.226 0.00 .77-.70 .05 2.1 .70 .32 -0.660 19 11 19 11 5.3 22643.888 27.46 10.89 0.073 0.004 1.4 0.000 0.146 0.00 .21-.59 .02 .49 .59 .20 -0.540 32 20 31 21 3.1 20707.160 26.59 10.95 0.109 0.003 3.3 0.000 0.251 0.00 .13-.47 .09 1.1 .47 .21 -0.420 51 30 48 33 5.9 21539.297 29.70 11.07 0.096 -0.004 2.4 0.000 0.206 0.00 .00-.35 .05 .38 .35 .18 -0.300 87 65 80 72 2.3 30770.660 36.38 11.35 0.101 0.007 3.5 0.000 0.209 0.00 .01-.22 .07 .29 .23 .16 -0.180 160 95 136 119 1.2 47430.050 52.42 11.77 0.087 0.014 4.2 0.178 0.177 0.39 .02-.12 .04 .23 .12 .13 -0.060 225 110 187 148 1.3 64881.090 73.37 12.14 0.124 -0.007 7.9 0.276 0.228 0.39-.01-.00 .02 .16 .03 .12 0.060 70 28 69 29 8.6 46092.169 65.94 11.36 0.150 -0.002 3.3 0.000 0.301 0.00 .02 .11-.01 .51 .11 .17 0.180 19 6 19 6 0.0 14904.105 23.03 10.84 0.189 -0.006 2.1 0.000 0.378 0.00 .27 .22-.09 .94 .22 .17 0.300 4 3 4 3 25.0 9076.298 16.31 11.21 0.105 0.011 1.0 0.000 0.210 0.00-.22 .33 .17 .28 .33 .19 0.420 6 2 6 2 0.0 19692.174 36.57 10.82 0.075 0.002 0.4 0.000 0.150 0.00 .48 .45-.17 .94 .45 .24 0.540 6 3 6 3 66.7 5840.936 12.88 10.75 0.494 -0.110 2.3 0.000 0.988 0.00 .93 .59-.14 1.0 .59 .28 0.660 4 1 4 1 25.0 11989.993 15.94 10.66 0.600 0.008 1.2 0.000 1.199 0.00 .45 .77-.16 1.3 .77 .27 0.780 2 0 2 0100.0 -356.600 -0.97 10.61 0.000 0.000 0.0 0.000 0.000 0.00 3.3 .85-.18 3.7 .85 .19 0.900 1 0 1 0100.0 437.262 1.09 10.72 0.000 0.000 0.0 0.000 0.000 0.00 2.1 .91 1.3 2.1 .91 1.3 1.020 1 1 1 1 0.0 2052.900 5.39 10.81 0.231 -0.231 1.2 0.000 0.461 0.00 .60 1.0-.23 .60 1.0 .23 1.140 1 0 1 0 0.0 1025.900 2.16 10.68 0.000 0.000 0.0 0.000 0.000 0.00-2.4 1.2 .31 2.4 1.2 .31 1.260 1 1 1 1 0.0 5459.300 9.75 10.62 0.290 0.290 2.8 0.000 0.580 0.00 .75 1.3-.18 .75 1.3 .18 1.380 9 3 9 3 33.3 2218.597 4.65 10.67 0.313 0.019 1.2 0.000 0.625 0.00 2.1 2.3-.24 3.7 2.6 .40 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 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 9432.300 9.38 10.71 0.000 0.000 0.0 0.000 0.000 0.00-.13 .17-.77 .13 .17 .77 -0.660 1 0 1 0 0.0 6308.700 8.66 10.52 0.000 0.000 0.0 0.000 0.000 0.00 7.9 5.7-.59 7.9 5.7 .59 -0.540 9 4 9 4 33.3 9176.304 25.70 11.23 0.360 0.011 1.7 0.000 0.721 0.00 1.1 .19-.47 2.2 .99 .47 -0.420 10 6 9 7 10.0 2346.011 5.65 11.06 0.314 -0.091 1.5 0.000 0.626 0.00 1.7 .21-.35 2.5 1.4 .35 -0.300 54 27 51 30 14.8 11612.359 19.68 10.96 0.131 -0.015 1.7 0.000 0.263 0.00 .99-.10-.23 1.7 .70 .23 -0.180 109 49 103 55 4.6 29941.522 37.75 11.09 0.101 0.000 2.3 0.000 0.207 0.00 .26-.17-.11 .45 .38 .11 -0.060 291 151 248 194 1.4 42374.768 48.86 11.57 0.100 -0.024 4.2 0.000 0.217 0.00-.01-.06 .00 .18 .15 .03 0.060 155 99 142 112 3.2 58936.172 66.53 12.01 0.118 0.013 6.9 0.276 0.218 0.39-.11-.11 .11 .24 .20 .12 0.180 70 41 67 44 5.7 64361.923 74.37 11.87 0.101 0.021 6.5 0.000 0.208 0.39-.28-.23 .24 .58 .44 .24 0.300 24 16 24 16 12.5 45937.494 62.88 11.93 0.104 0.043 6.2 0.178 0.193 0.39-.20-.21 .35 .73 .47 .35 0.420 6 5 6 5 33.3 45098.257 68.68 11.79 0.112 0.034 6.0 0.000 0.224 0.00 .38-.07 .48 1.8 .89 .48 0.540 1 1 1 1 0.0 5102.100 27.25 11.09 0.083 -0.083 2.3 0.000 0.167 0.00-.40 .00 .63 .40 .00 .63 0.660 1 1 1 1 0.0 168476.00 218.23 12.62 0.174 0.174 38.0 0.000 0.348 0.00 .03-.02 .73 .03 .02 .73 0.780 1 0 1 0 0.0 280581.00 241.26 11.35 0.000 0.000 0.0 0.000 0.000 0.00 .84-.73 .80 .84 .73 .80 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 1 0 1 0100.0 437.262 1.09 10.72 0.000 0.000 0.0 0.000 0.000 0.00 2.1 .91 1.3 2.1 .91 1.3 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 265 0 265 0 6.0 47460.123 59.06 11.44 0.000 0.000 0.0 0.000 0.000 0.00 .15-.04-.00 1.1 .59 .20 1.000 466 233 233 466 4.3 40877.767 49.21 11.64 0.108 0.000 4.7 0.000 0.202 0.00 .08-.12 .04 .46 .32 .16 2.000 3 1 1 3 0.0 61897.901 116.16 13.47 0.164 0.000 20.1 0.216 0.099 0.39 .04-.06 .26 .08 .06 .28 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_21.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 734 234 499 469 4.9 43340.144 52.87 11.57 0.108 0.000 4.8 0.216 0.202 0.39 .10-.09 .02 .76 .44 .18 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_21.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 121 33 87 67 0.0 122937.04 136.23 13.27 0.130 0.000 16.1 0.216 0.231 0.39-.04-.03 .11 .17 .11 .21 2.002 102 34 68 68 1.0 61645.096 68.50 12.02 0.096 0.000 5.5 0.000 0.184 0.00-.02-.08 .05 .15 .19 .15 1.592 99 38 61 76 0.0 40084.798 42.65 11.49 0.084 0.000 3.6 0.000 0.159 0.00 .04-.12 .03 .14 .28 .13 1.392 74 32 42 64 0.0 27197.049 33.28 11.27 0.098 0.000 2.8 0.000 0.195 0.00 .00-.15 .00 .15 .33 .16 1.265 82 30 52 60 3.7 21735.894 26.48 11.19 0.078 0.000 1.7 0.000 0.154 0.00 .01-.17 .02 .19 .32 .12 1.175 70 24 46 48 5.7 17560.912 22.49 11.02 0.074 0.000 1.6 0.000 0.149 0.00 .01-.17-.00 .34 .41 .15 1.106 43 10 33 20 7.0 9162.605 14.19 10.90 0.202 0.000 2.5 0.000 0.390 0.00 .14-.09-.06 .56 .51 .17 1.050 68 19 49 38 14.7 10791.059 15.69 10.74 0.139 0.000 1.8 0.000 0.271 0.00 .15-.06-.02 .80 .61 .18 1.005 47 9 38 18 19.1 8077.210 11.75 10.76 0.120 0.000 1.3 0.000 0.263 0.00 .13-.13-.01 .93 .54 .20 0.966 28 5 23 10 21.4 5303.117 8.10 10.64 0.233 0.000 1.5 0.000 0.449 0.00 1.9 .17-.03 3.3 1.3 .35 0.933 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 61 23 51 33 59.0 329.990 0.99 11.03 0.836 -0.373 1.5 0.000 1.694 0.00 .52 .09-.02 1.7 .66 .31 1115.248 29 17 28 18 0.0 1582.966 4.66 11.10 0.301 0.036 1.5 0.000 0.627 0.00 .27-.03-.05 .68 .69 .19 2230.496 62 32 53 41 0.0 3448.658 7.62 11.05 0.277 -0.094 2.4 0.000 0.649 0.00 .24-.14-.02 1.1 .54 .19 4460.992 72 33 63 42 0.0 6547.194 12.12 11.36 0.230 -0.020 4.0 0.000 0.492 0.00 .15 .01-.01 1.1 .79 .18 8921.984 127 52 98 81 0.0 12870.378 17.92 11.22 0.108 -0.010 2.1 0.000 0.252 0.00 .12-.14 .00 .68 .31 .14 17843.969 139 58 102 95 0.0 26164.150 29.72 11.36 0.090 -0.002 2.8 0.000 0.198 0.00-.01-.17 .03 .25 .30 .11 35687.938 122 52 91 83 0.0 50646.695 47.66 11.80 0.109 -0.016 6.1 0.276 0.246 0.39 .02-.11 .04 .14 .22 .13 71375.875 67 28 54 41 0.0 95930.578 78.59 12.28 0.107 0.015 9.3 0.178 0.235 0.39-.04-.13 .08 .18 .30 .19 142751.750 44 18 29 33 0.0 195615.25 138.59 13.20 0.093 0.007 14.5 0.000 0.180 0.00-.03-.07 .14 .19 .14 .22 285503.500 11 1 10 2 0.0 415976.73 264.48 13.65 0.178 0.000 56.5 0.000 0.303 0.00-.06 .03 .05 .14 .06 .12 571007.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 34 16 32 18100.0 -60.207 -0.17 10.86 1.218 -4.033 1.5 0.000 2.399 0.00 .90 .06 .03 2.1 .75 .34 1.864 25 14 25 14 8.0 861.596 2.63 11.08 0.638 0.060 1.5 0.000 1.276 0.00 .24 .21-.12 1.1 .85 .28 3.475 45 27 42 30 0.0 2069.541 5.20 11.02 0.299 -0.051 1.5 0.000 0.635 0.00 .32-.15-.05 1.1 .47 .18 6.478 92 40 78 54 0.0 5245.704 9.31 11.03 0.210 -0.023 2.1 0.000 0.462 0.00 .29-.03-.03 1.3 .75 .20 12.076 147 59 115 91 0.0 12806.969 17.55 11.17 0.106 -0.004 2.1 0.000 0.236 0.00 .02-.14 .01 .38 .35 .13 22.511 173 74 123 124 0.0 28198.183 31.47 11.45 0.094 -0.005 3.5 0.000 0.205 0.00-.01-.15 .03 .18 .27 .12 41.963 112 45 80 77 0.0 60136.185 55.18 11.92 0.094 -0.002 5.6 0.000 0.199 0.00 .01-.13 .04 .14 .25 .13 78.225 72 26 53 45 0.0 121850.37 102.86 12.92 0.100 0.007 11.6 0.216 0.202 0.39-.06-.07 .10 .16 .17 .19 145.821 28 9 22 15 0.0 227183.55 187.00 13.26 0.128 0.013 26.1 0.000 0.253 0.00 .01-.04 .16 .25 .16 .26 271.830 6 1 6 1 0.0 430985.00 335.88 12.99 0.217 -0.030 74.1 0.000 0.434 0.00-.05 .05 .03 .17 .07 .12 506.729 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 78 41 41 78 0.0 53103.659 50.42 11.73 0.018 0.003 0.8 0.000 0.038 0.00 .02-.14 .05 .17 .21 .11 0.030 75 43 43 75 0.0 54389.812 54.42 11.65 0.045 0.001 1.9 0.000 0.086 0.00-.02-.11 .04 .32 .21 .12 0.060 54 35 35 54 0.0 23794.943 31.38 11.41 0.071 0.004 2.1 0.000 0.138 0.39 .15-.20 .04 .54 .44 .20 0.090 40 34 34 40 0.0 46841.725 53.19 11.77 0.102 0.040 4.6 0.000 0.201 0.00 .09-.15 .04 .44 .30 .14 0.120 43 43 43 43 0.0 47640.250 53.70 11.92 0.131 0.048 5.6 0.178 0.256 0.39 .01-.13 .08 .22 .24 .16 0.150 32 32 32 32 0.0 79802.261 82.92 12.03 0.164 0.084 11.1 0.000 0.328 0.00 .00-.17 .12 .18 .26 .22 0.180 26 26 26 26 0.0 33008.288 41.80 11.67 0.197 0.029 6.8 0.000 0.394 0.00 .11-.09-.01 .28 .18 .15 0.210 25 25 25 25 4.0 38608.193 56.71 11.64 0.220 -0.092 9.0 0.000 0.441 0.00-.01-.01 .02 .20 .28 .16 0.240 16 16 16 16 0.0 43879.175 61.87 11.71 0.259 -0.185 13.8 0.000 0.518 0.00 .10-.20 .04 .23 .34 .18 0.270 11 11 11 11 0.0 10597.682 17.09 11.19 0.282 -0.117 4.2 0.000 0.563 0.00 .34 .07-.04 .45 .45 .13 0.300 11 11 11 11 0.0 16010.973 31.21 11.61 0.325 -0.319 9.2 0.276 0.518 0.39-.02-.11 .04 .30 .21 .11 0.330 3 3 3 3 0.0 45418.968 68.24 12.21 0.343 -0.326 20.3 0.000 0.687 0.00-.01-.12-.04 .02 .18 .11 0.360 5 5 5 5 20.0 18047.714 40.56 11.58 0.369 -0.342 7.8 0.000 0.739 0.00 .29 .04-.15 .35 .35 .21 0.390 9 9 9 9 11.1 12558.650 25.94 12.06 0.404 -0.053 8.6 0.000 0.807 0.00-.13-.07 .05 .40 .14 .18 0.420 3 3 3 3 0.0 4027.200 8.04 10.98 0.440 -0.212 3.3 0.000 0.881 0.00 .73 .11-.17 .99 .35 .23 0.450 2 2 2 2 0.0 12342.000 21.83 11.06 0.475 -0.425 8.0 0.000 0.950 0.00 .53-.15-.09 .72 .16 .12 0.480 3 3 3 3 0.0 6950.310 13.24 11.04 0.491 -0.491 5.0 0.000 0.982 0.00 .06-.12-.07 .30 .19 .18 0.510 1 1 1 1 0.0 1119.200 2.83 10.74 0.534 0.534 1.5 0.000 1.068 0.00 .75 .12-.10 .75 .12 .10 0.540 1 1 1 1 0.0 3077.800 5.48 10.62 0.562 -0.562 3.1 0.000 1.125 0.00 .36-.07 .03 .36 .07 .03 0.570 31 25 25 31 54.8 1067.533 2.91 11.12 1.126 -1.148 5.1 0.000 2.260 0.00 .36-.13-.02 1.2 .70 .25 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 30 30 30 30 50.0 2534.954 6.28 11.17 0.776 -0.857 6.0 0.000 1.551 0.00 .27-.21-.01 .99 .61 .22 -0.460 2 2 2 2 0.0 4453.450 9.01 11.04 0.442 -0.442 3.6 0.000 0.884 0.00 .55 .24-.14 .93 .42 .23 -0.420 7 7 7 7 14.3 9669.050 20.82 11.59 0.405 -0.405 5.8 0.000 0.809 0.00-.05-.03 .00 .43 .11 .18 -0.380 3 3 3 3 33.3 47237.243 73.30 12.52 0.362 -0.362 19.6 0.000 0.724 0.00 .14 .19-.08 .29 .36 .17 -0.340 11 11 11 11 0.0 22563.791 41.03 11.72 0.328 -0.328 11.9 0.276 0.563 0.39 .01-.11 .03 .28 .21 .10 -0.300 11 11 11 11 0.0 53064.263 68.76 11.90 0.266 -0.266 17.2 0.000 0.532 0.00 .18-.11 .06 .30 .23 .14 -0.260 12 12 12 12 0.0 31708.917 41.64 11.51 0.232 -0.232 8.7 0.000 0.464 0.00 .05-.02 .02 .19 .34 .13 -0.220 17 17 17 17 0.0 45138.817 61.75 11.44 0.207 -0.207 9.9 0.000 0.413 0.00 .10-.10-.03 .21 .20 .11 -0.180 13 13 13 13 0.0 50262.841 63.16 11.29 0.167 -0.167 7.9 0.000 0.335 0.00 .04-.23 .06 .22 .31 .14 -0.140 27 27 27 27 0.0 39537.678 49.58 11.62 0.120 -0.120 4.8 0.000 0.240 0.00 .11-.19 .03 .51 .36 .15 -0.100 28 28 28 28 0.0 24921.947 30.82 11.32 0.074 -0.074 2.0 0.000 0.148 0.00 .03-.24 .04 .25 .45 .20 -0.060 53 53 53 53 0.0 54210.642 53.86 11.63 0.039 -0.039 1.7 0.000 0.077 0.00-.00-.11 .05 .20 .18 .11 -0.020 41 21 21 41 0.0 49968.729 48.34 11.77 0.010 0.001 0.5 0.000 0.021 0.00 .00-.13 .05 .16 .21 .11 0.020 59 59 59 59 0.0 55922.702 53.76 11.69 0.038 0.038 1.6 0.000 0.076 0.00 .00-.14 .04 .33 .24 .12 0.060 41 41 41 41 0.0 38913.398 46.96 11.77 0.085 0.085 3.3 0.000 0.169 0.39 .19-.10 .05 .61 .34 .18 0.100 26 26 26 26 0.0 52409.499 55.23 11.71 0.122 0.122 5.2 0.000 0.244 0.00 .02-.18 .07 .25 .26 .17 0.140 34 34 34 34 0.0 70116.294 74.61 12.35 0.159 0.159 9.7 0.178 0.312 0.39-.02-.12 .13 .15 .20 .21 0.180 17 17 17 17 5.9 38146.782 49.23 12.18 0.202 0.202 7.6 0.000 0.404 0.00 .03-.02 .06 .32 .14 .18 0.220 11 11 11 11 0.0 19133.058 27.41 11.27 0.234 0.234 4.5 0.000 0.468 0.00-.00-.21-.06 .19 .41 .23 0.260 10 10 10 10 0.0 5152.890 10.71 11.06 0.277 0.277 2.8 0.000 0.555 0.00 .33 .08-.01 .43 .46 .13 0.300 2 2 2 2 0.0 2690.900 6.61 10.93 0.329 0.329 2.1 0.000 0.657 0.00-.15-.17-.05 .23 .21 .14 0.340 1 1 1 1 0.0 278.842 2.03 12.13 0.373 0.373 0.8 0.000 0.746 0.00 .36 .01-.33 .36 .01 .33 0.380 4 4 4 4 0.0 13096.650 25.73 12.28 0.400 0.400 10.8 0.000 0.800 0.00-.03-.21 .06 .30 .28 .16 0.420 1 1 1 1 0.0 3174.700 6.18 10.87 0.435 0.435 2.7 0.000 0.870 0.00 1.1-.13-.22 1.1 .13 .22 0.460 8 8 8 8 25.0 847.102 2.30 10.74 0.792 0.792 1.8 0.000 1.584 0.00 .68 .17-.08 1.5 .74 .27 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 118 60 60 118 4.2 18952.364 25.44 11.27 0.020 0.000 0.5 0.000 0.042 0.00 .10-.13 .00 .54 .34 .15 1.000 106 61 61 106 8.5 25889.853 34.44 11.39 0.043 0.004 1.5 0.000 0.092 0.00 .09-.11 .02 .59 .42 .17 2.000 71 50 50 71 7.0 29468.411 37.26 11.35 0.065 0.006 2.4 0.000 0.140 0.00 .14-.15 .02 .52 .34 .16 3.000 33 27 27 33 3.0 39494.548 46.55 11.52 0.074 0.001 3.4 0.000 0.158 0.00 .01-.16 .02 .19 .30 .09 4.000 24 19 19 24 0.0 30272.850 39.61 11.77 0.113 -0.011 4.5 0.000 0.223 0.00 .12-.10 .04 .33 .27 .14 5.000 25 20 20 25 0.0 35868.100 39.31 11.87 0.139 0.042 5.5 0.000 0.279 0.00-.01-.13 .08 .14 .20 .16 6.000 14 13 13 14 0.0 79073.386 73.84 11.87 0.089 0.007 6.6 0.000 0.194 0.00 .06-.15 .08 .12 .21 .19 7.000 10 9 9 10 0.0 48254.001 52.30 12.13 0.142 0.005 7.4 0.000 0.280 0.00 .02-.14 .11 .12 .18 .18 8.000 8 7 7 8 0.0 135689.18 107.06 12.93 0.079 0.003 8.5 0.000 0.173 0.00-.00-.10 .12 .07 .16 .17 9.000 9 9 9 9 0.0 57301.301 58.04 12.12 0.167 0.032 9.7 0.000 0.330 0.39 .03-.12 .05 .09 .15 .13 10.000 5 5 5 5 0.0 82880.280 71.81 12.40 0.143 0.006 10.3 0.000 0.286 0.00-.01-.07 .10 .08 .13 .17 11.000 3 3 3 3 0.0 94429.933 84.12 12.35 0.139 -0.011 11.7 0.000 0.278 0.00-.08-.02 .10 .17 .05 .14 12.000 4 3 3 4 0.0 71827.001 74.11 11.54 0.168 -0.074 12.4 0.000 0.346 0.00 .06-.23 .19 .11 .29 .27 13.000 5 5 5 5 0.0 94052.019 79.13 12.80 0.171 0.152 13.5 0.000 0.343 0.00-.17-.25 .15 .30 .41 .17 14.000 2 2 2 2 0.0 44541.999 49.81 11.10 0.289 -0.289 14.4 0.000 0.578 0.00 .00-.13-.03 .05 .15 .04 15.000 1 1 1 1 0.0 72367.102 107.07 15.75 0.145 0.145 15.5 0.178 0.099 0.39-.05-.06 .35 .05 .06 .35 16.000 2 2 2 2 0.0 70679.799 77.04 11.26 0.217 -0.217 16.7 0.000 0.435 0.00 .08-.24 .11 .16 .31 .19 17.000 3 3 3 3 0.0 168771.57 112.47 13.55 0.153 0.046 17.3 0.000 0.307 0.00-.08-.07 .13 .09 .09 .17 18.000 2 2 2 2 0.0 80060.250 81.59 14.03 0.229 0.081 18.5 0.000 0.458 0.00-.10-.04 .13 .12 .08 .18 19.000 2 2 2 2 0.0 84831.852 87.73 13.11 0.223 0.022 19.6 0.000 0.446 0.00-.07-.02 .06 .07 .03 .09 20.000 3 2 2 3 0.0 154131.67 155.30 12.60 0.133 -0.043 20.6 0.000 0.294 0.00 .09-.05 .08 .09 .05 .13 21.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 22.000 2 2 2 2 0.0 97207.250 93.03 13.95 0.242 0.070 22.6 0.000 0.485 0.00-.07 .00 .04 .09 .03 .08 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 17 11 11 17 0.0 164319.45 176.53 13.50 0.209 -0.045 38.5 0.276 0.369 0.39 .04-.03 .17 .13 .06 .24 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 734 234 499 469 4.9 43340.144 52.87 11.57 0.108 0.000 4.8 0.216 0.202 0.39 .10-.09 .02 .76 .44 .18 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 77 3 74 6 6.5 59795.558 71.28 11.94 0.120 0.000 16.7 0.000 0.214 0.00 .05-.12 .05 .33 .26 .18 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_21.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 2.002 87 141 61.70 1.39 0.130 33 23.40 0.130 136.23 0.0 to 1.592 155 271 57.20 1.44 0.118 67 24.72 0.096 68.50 1.0 to 1.392 216 411 52.55 1.49 0.111 105 25.55 0.084 42.65 0.0 to 1.265 258 535 48.22 1.53 0.110 137 25.61 0.098 33.28 0.0 to 1.175 310 667 46.48 1.54 0.108 167 25.04 0.078 26.48 3.7 to 1.106 356 796 44.72 1.54 0.106 191 23.99 0.074 22.49 5.7 to 1.050 389 921 42.24 1.52 0.107 201 21.82 0.202 14.19 7.0 to 1.005 438 1047 41.83 1.50 0.108 220 21.01 0.139 15.69 14.7 to 0.966 476 1186 40.13 1.48 0.108 229 19.31 0.120 11.75 19.1 to 0.933 499 1306 38.21 1.47 0.108 234 17.92 0.233 8.10 21.4