SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:21:54 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 Saving spots > 10.00 sigma(I) in /smb/isengard/data/neal054/work/neal054_01._ma 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 1 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-): 155.10 (from frame fastscan_01_0001.sfrm) Electrons per A/D unit: 36.60 (from frame fastscan_01_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame fastscan_01_0001.sfrm) Base offset per exposure: 64 (from frame fastscan_01_0001.sfrm) Per-exposure full scale: 163809 (from frame fastscan_01_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 10:21:54 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to fastscan_ib_01_0001.sfrm Nominal time per frame (s): 2 Intensity normalization in deg/min: 30 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:21:55 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/fastscan_01_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 10:21:55 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: fastscan_xa_01_0001.sfrm Active pixel mask written to fastscan_am_01_0001.sfrm Fraction of mask marked active: 0.9729 Scan axis is PHI Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 0.000 0.000 0.000 0.000 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: 180 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 10:21:56 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 = 98.50% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.78 0.78 2.27 1.000 2_0003 2 0.10 -0.14 -0.09 0.36 0.19 0.09 32935 17 0 0.38 28 0.78 0.78 2.27 1.000 3_0004 5 0.10 -0.17 0.07 0.32 0.27 0.19 104979 28 0 0.42 28 0.78 0.78 2.27 1.000 4_0005 4 0.16 -0.05 -0.04 0.31 0.10 0.10 140264 37 25 0.66 32 0.78 0.78 2.27 1.000 5_0006 6 0.19 -0.13 0.03 0.28 0.23 0.15 65125 19 17 0.58 28 0.78 0.78 2.27 1.000 6_0007 11 -0.17 -0.04 -0.05 0.28 0.19 0.14 148993 45 9 0.71 36 0.78 0.78 2.27 1.000 7_0008 8 -0.02 0.13 -0.10 0.33 0.50 0.21 78567 26 13 0.60 30 0.78 0.78 2.27 1.000 8_0009 4 0.00 0.03 -0.02 0.17 0.13 0.08 127243 31 0 0.82 33 0.78 0.78 2.27 1.000 9_0010 5 0.11 -0.15 -0.03 0.44 0.22 0.06 181544 47 0 0.61 25 0.78 0.78 2.27 1.000 10_0011 7 0.35 0.01 -0.07 0.45 0.07 0.10 108894 25 0 0.64 28 0.78 0.78 2.27 1.000 11_0012 7 -0.04 -0.18 -0.04 0.18 0.24 0.07 223005 53 14 0.72 31 0.78 0.78 2.27 1.000 12_0013 5 0.06 0.00 -0.11 0.16 0.13 0.14 134608 31 0 0.74 33 0.78 0.78 2.27 1.000 13_0014 7 -0.03 -0.06 0.01 0.13 0.08 0.06 141851 45 0 0.83 27 0.78 0.78 2.27 1.000 14_0015 6 0.07 -0.04 -0.00 0.16 0.25 0.12 50771 15 0 0.56 28 0.78 0.78 2.27 1.000 15_0016 7 0.04 -0.01 -0.09 0.37 0.12 0.14 121784 29 0 0.68 39 0.78 0.78 2.27 1.000 16_0017 9 -0.15 -0.13 -0.01 0.26 0.21 0.14 188262 50 0 0.77 36 0.78 0.78 2.27 1.000 17_0018 4 0.21 -0.07 -0.06 0.24 0.11 0.12 75795 18 0 0.53 31 0.78 0.78 2.27 1.000 18_0019 6 0.13 -0.12 -0.01 0.32 0.19 0.07 81430 23 0 0.78 34 0.78 0.78 2.27 1.000 19_0020 7 0.01 -0.03 -0.06 0.19 0.19 0.12 133219 35 0 0.66 28 0.78 0.78 2.27 1.000 Background pixels updated = 99.43% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 7 0.14 -0.17 -0.06 0.33 0.20 0.08 69737 21 0 0.68 26 0.78 0.78 2.27 1.000 21_0022 3 0.08 -0.09 -0.07 0.23 0.31 0.11 137917 29 0 0.66 33 0.78 0.78 2.27 1.000 22_0023 7 0.06 -0.03 -0.08 0.25 0.11 0.09 119427 34 0 0.72 29 0.78 0.78 2.27 1.000 23_0024 6 0.04 -0.03 -0.03 0.22 0.08 0.11 78740 28 0 0.83 40 0.78 0.78 2.27 1.000 24_0025 10 0.09 -0.09 -0.04 0.25 0.16 0.10 129332 32 0 0.70 26 0.78 0.78 2.27 1.000 25_0026 7 0.06 -0.15 -0.01 0.16 0.23 0.08 110010 31 0 0.77 32 0.78 0.78 2.27 1.000 26_0027 4 -0.04 -0.06 -0.04 0.08 0.08 0.08 108635 28 0 0.76 28 0.78 0.78 2.27 1.000 27_0028 4 0.70 -0.18 0.08 0.80 0.62 0.23 91924 19 0 0.55 27 0.78 0.78 2.27 1.000 28_0029 5 0.05 -0.16 -0.02 0.11 0.25 0.14 102576 40 0 0.72 29 0.78 0.78 2.27 1.000 29_0030 3 -0.20 0.08 -0.15 0.65 0.22 0.22 68604 22 0 0.70 33 0.78 0.78 2.27 1.000 30_0031 4 0.04 0.01 -0.12 0.13 0.05 0.14 102331 39 0 0.65 36 0.78 0.78 2.27 1.000 31_0032 7 0.09 -0.13 -0.07 0.18 0.19 0.10 170978 44 14 0.74 32 0.78 0.78 2.27 1.000 32_0033 5 0.00 -0.05 -0.05 0.12 0.10 0.08 119910 32 0 0.86 28 0.78 0.78 2.27 1.000 33_0034 5 -0.04 -0.02 0.00 0.18 0.12 0.05 149866 44 0 0.74 29 0.78 0.78 2.27 1.000 34_0035 5 -0.04 -0.04 -0.08 0.11 0.13 0.09 96189 29 20 0.58 35 0.78 0.78 2.27 1.000 35_0036 5 0.06 -0.10 -0.05 0.16 0.15 0.06 137490 31 0 0.73 39 0.78 0.78 2.27 1.000 36_0037 5 0.11 -0.12 -0.06 0.23 0.19 0.08 218307 38 0 0.83 33 0.78 0.78 2.27 1.000 37_0038 5 0.02 -0.16 -0.05 0.12 0.21 0.07 114330 28 0 0.75 33 0.78 0.78 2.27 1.000 38_0039 2 -0.07 -0.01 -0.04 0.07 0.06 0.10 143262 34 0 0.81 30 0.78 0.78 2.27 1.000 39_0040 9 0.31 -0.10 -0.03 0.63 0.41 0.22 155426 33 11 0.58 29 0.78 0.78 2.27 1.000 Background pixels updated = 99.53% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40_0041 8 0.08 0.03 -0.00 0.18 0.13 0.12 137322 35 13 0.69 27 0.78 0.78 2.27 1.000 41_0042 8 0.09 -0.02 -0.07 0.18 0.19 0.16 132346 36 13 0.56 31 0.78 0.78 2.27 1.000 42_0043 6 0.01 -0.02 -0.08 0.11 0.11 0.10 184081 36 0 0.80 30 0.78 0.78 2.27 1.000 I/Sigma = 92.34 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.024 Region 1 Sum = 44384.9; Maximum = 803.371; FM = 0.938 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 2 6 9 8 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 6 8 7 4 1 0 0 1 7 29 39 32 15 5 0 0 0 0 0 0 0 0 0 0 0 0 1 5 7 6 4 2 0 0 1 8 23 31 27 16 6 1 0 0 0 0 0 0 0 0 0 0 0 1 5 8 8 6 2 0 0 2 8 24 36 35 24 7 0 0 0 0 0 0 0 0 0 0 0 0 2 5 8 7 4 1 0 0 2 9 26 36 32 18 4 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 0 0 0 1 4 11 17 15 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 1 3 9 14 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 1 1 1 1 0 0 !Region 1: Section 4->6 0 0 2 6 8 7 4 1 0 0 0 2 6 10 9 8 1 0 0 0 1 3 6 7 5 1 0 0 1 4 15 22 16 8 3 0 0 2 6 21 33 23 11 2 0 0 1 4 13 22 16 8 1 0 1 2 13 52 69 54 24 6 0 1 3 15 55 77 60 27 5 0 0 2 9 31 46 36 17 3 0 1 5 22 55 71 57 30 9 1 1 8 34 78100 77 38 9 1 1 7 28 55 67 50 24 5 0 1 7 26 58 70 62 37 10 1 1 11 41 80 86 68 36 8 1 1 8 30 53 53 39 20 4 0 1 8 29 59 68 57 31 7 1 2 13 47 84 84 66 35 8 1 1 10 37 60 57 40 20 4 1 1 4 14 32 39 31 15 3 0 1 7 21 48 56 41 19 3 0 1 5 16 34 39 26 12 2 0 1 2 8 21 27 18 8 2 0 1 3 10 27 33 21 8 2 0 0 2 7 17 21 13 5 1 0 0 0 2 6 6 3 2 0 0 0 1 3 10 11 5 4 0 0 0 1 3 7 9 5 3 0 0 !Region 1: Section 7->9 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 7 5 2 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 12 9 5 1 0 0 1 1 3 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 4 14 20 20 14 6 2 0 0 1 3 5 5 4 2 1 0 0 0 0 1 1 1 0 0 0 0 4 12 18 16 10 5 1 0 0 1 3 5 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 5 16 21 19 11 5 1 0 0 1 3 5 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 13 14 7 3 1 0 0 0 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 7 4 2 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 103.29 Thresh = 0.020 Blend = F #Contributing = 71 InitialProfileWt = 0.009 Region 2 Sum = 51196.6; Maximum = 1416.74; FM = 0.81 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 2 6 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 2 1 0 0 0 1 5 13 13 6 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 3 9 15 13 6 2 0 0 0 0 0 1 0 0 0 0 0 0 2 4 6 5 2 1 0 0 1 5 12 17 14 7 3 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 1 0 0 0 3 8 13 12 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 2 5 8 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 2: Section 4->6 0 0 0 1 4 8 2 1 0 0 0 1 4 10 22 7 1 0 0 1 2 4 8 18 6 1 0 0 0 2 7 17 20 9 3 1 0 1 5 17 33 44 20 6 1 0 2 6 16 28 36 17 5 1 0 1 4 13 27 30 12 4 1 0 2 9 27 51 64 25 8 2 0 3 10 25 44 54 23 7 1 0 1 8 22 37 43 29 9 2 0 3 17 43 70100 77 25 6 0 4 17 36 58 83 66 23 5 0 1 8 20 30 30 18 6 1 0 3 13 32 50 59 39 12 3 0 3 13 28 43 51 35 11 2 0 1 5 16 26 26 14 4 1 0 2 10 28 46 53 31 9 2 0 2 10 23 39 45 27 8 1 0 0 2 7 15 19 7 2 0 0 1 4 12 26 42 14 3 1 0 1 4 11 21 34 12 3 0 0 0 1 3 6 6 2 1 0 0 0 2 4 7 7 2 1 0 0 1 2 4 6 6 2 0 0 0 0 0 1 1 2 1 0 0 0 0 1 1 2 3 1 0 0 0 0 1 1 2 2 1 0 0 !Region 2: Section 7->9 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 7 8 5 2 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 8 13 14 8 3 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 6 10 15 19 16 6 1 0 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 5 9 13 15 11 3 1 0 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 11 12 7 2 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 8 3 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 70.15 Thresh = 0.020 Blend = F #Contributing = 20 InitialProfileWt = 0.103 Region 3 Sum = 27076.2; Maximum = 606.955; FM = 0.931 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 2 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 5 4 3 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 4 6 6 5 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 6 7 6 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 2 5 7 7 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 !Region 3: Section 4->6 0 0 1 2 3 3 2 2 0 0 0 1 3 4 5 4 2 1 0 0 1 1 2 2 2 1 0 0 1 5 9 12 12 8 5 1 0 2 6 12 21 20 13 6 1 0 1 3 7 12 10 6 2 1 0 3 11 23 29 26 16 9 1 1 4 14 38 57 49 26 10 2 1 3 9 27 37 26 12 4 1 1 4 18 41 51 42 26 11 2 1 6 30 75100 80 41 14 2 1 5 22 53 65 46 20 6 1 1 5 21 47 52 47 30 10 1 1 8 39 87 98 89 50 16 2 1 8 30 57 62 53 27 8 1 0 4 18 43 48 38 20 7 1 1 9 35 80 89 70 38 13 2 1 9 28 52 56 45 26 9 2 0 2 10 29 34 25 12 4 1 1 5 19 54 63 46 23 8 2 1 6 17 36 42 32 18 7 2 0 1 4 15 18 13 6 2 0 1 3 8 28 34 24 11 5 1 1 3 8 21 26 18 9 4 1 0 0 1 4 5 3 2 1 0 0 1 3 7 10 5 3 1 0 0 1 2 6 9 4 2 1 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 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 1 2 4 9 8 4 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 17 16 8 2 1 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 12 17 16 10 5 1 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 12 17 16 11 7 2 1 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 14 15 9 6 3 1 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 2 4 10 11 7 3 2 0 0 0 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 76.79 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 4 Sum = 25135; Maximum = 594.457; FM = 0.906 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 4 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 0 0 0 0 1 4 12 15 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 0 0 0 0 1 6 15 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 8 13 12 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 8 10 8 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 6 8 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 0 5 11 12 4 1 0 0 0 1 5 13 10 2 1 0 0 0 0 2 5 4 1 0 0 0 0 2 14 35 34 12 3 1 0 1 3 19 43 36 13 4 1 0 1 2 9 20 15 6 2 1 0 1 4 25 49 48 20 4 1 0 1 8 41 74 68 32 7 2 0 1 5 26 44 35 16 4 1 0 1 9 34 54 54 27 6 1 0 2 19 65100 93 46 9 2 0 2 13 50 69 52 23 4 1 0 1 13 39 51 49 25 7 1 0 4 32 82 98 91 44 9 1 0 4 27 65 69 54 23 4 0 0 2 12 34 46 38 15 3 0 1 6 32 75 88 68 26 4 0 1 6 27 60 60 39 14 2 0 0 2 8 21 32 19 6 1 0 1 6 21 51 61 35 10 2 0 1 5 19 44 41 22 6 1 0 0 1 3 8 13 8 2 1 0 1 3 9 21 27 15 4 1 0 1 3 9 20 20 11 3 0 0 0 0 1 2 3 2 0 0 0 0 1 2 5 6 4 1 0 0 0 1 3 5 5 3 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 12 13 5 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 16 15 7 2 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 15 13 6 2 1 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 6 13 10 4 1 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 6 3 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 45.24 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 5 Sum = 10252.2; Maximum = 229.818; FM = 0.879 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 3 3 1 0 0 0 0 2 3 10 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 7 3 0 0 0 1 4 11 23 21 7 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 8 3 1 0 0 1 6 12 24 23 9 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 2 0 0 0 1 5 11 20 17 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 1 3 10 16 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 0 0 1 2 7 9 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 2 5 12 10 4 1 0 0 0 1 3 9 8 4 1 0 0 0 0 1 4 4 2 1 0 0 1 7 18 34 29 12 2 0 0 1 5 16 36 33 18 4 1 0 1 1 6 17 18 10 3 1 0 2 11 27 47 43 20 4 1 0 2 9 33 66 67 35 7 1 0 1 3 15 36 42 24 6 1 0 3 13 31 49 48 24 6 1 0 2 14 47 82 96 56 13 2 0 1 6 25 52 69 42 11 2 0 2 12 31 46 43 26 6 1 0 2 17 53 85100 69 18 3 0 1 8 31 59 78 54 15 2 0 1 8 25 36 33 20 6 1 0 1 12 46 77 86 58 18 3 0 1 6 30 59 74 48 15 3 0 0 3 12 23 22 12 4 1 0 0 5 23 58 63 36 12 2 0 0 3 16 47 55 32 10 2 0 0 1 4 10 13 7 2 1 0 0 2 8 29 39 21 5 2 0 0 1 6 25 36 19 6 2 0 0 0 1 2 3 2 0 0 0 0 1 2 6 9 6 1 0 0 0 1 2 5 9 6 2 1 0 !Region 5: 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 0 1 2 1 2 1 0 0 -1 -1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 5 2 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 14 9 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 11 18 13 5 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 1 0 0 1 5 13 20 13 5 2 0 0 0 0 1 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 13 16 11 5 2 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 7 11 7 4 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 4 1 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 24.94 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.393 Region 6 Sum = 3910.38; Maximum = 82.8113; FM = 0.884 !Region 6: Section 1->3 0 1 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 2 3 2 0 -1 0 -1 -1 0 0 1 1 0 0 0 0 0 0 3 6 5 1 0 0 0 0 0 5 11 8 2 -1 0 0 0 -1 0 1 1 0 1 1 0 0 0 3 9 8 2 1 1 1 0 1 7 18 16 5 1 1 1 0 0 0 0 0 -1 0 1 -1 -1 0 3 9 9 2 0 1 -1 -1 1 7 21 21 7 2 1 -1 0 -1 0 0 0 0 -1 -1 0 0 0 2 8 8 3 0 0 0 0 1 6 19 20 8 2 2 0 0 0 0 0 0 1 1 -1 -1 0 0 1 6 7 4 2 0 0 0 1 4 15 16 9 3 0 1 0 -1 0 1 1 0 0 0 0 0 0 1 4 6 3 0 0 0 0 0 3 10 12 7 1 -1 0 0 -1 0 0 0 0 0 0 -1 0 0 1 1 2 1 0 -1 -1 0 1 2 4 5 3 0 -1 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 2 1 0 0 0 0 !Region 6: Section 4->6 0 1 1 2 3 2 1 0 0 0 0 1 3 7 6 1 0 0 0 0 1 2 5 5 1 0 0 0 3 7 11 11 7 2 0 0 1 2 5 19 30 24 6 1 1 1 2 4 13 23 20 6 1 1 1 5 16 26 24 14 4 1 0 0 3 17 50 65 45 13 2 1 0 2 10 36 53 40 12 2 1 1 8 25 38 34 21 6 1 0 0 7 34 77 95 67 20 4 1 0 4 23 58 78 57 18 4 2 1 11 29 39 36 25 9 2 0 1 15 52 86100 79 28 5 0 1 9 38 67 84 68 24 5 1 2 9 25 34 32 21 8 2 0 2 14 48 81 87 69 26 6 1 1 8 35 66 73 61 23 5 1 1 5 17 26 23 15 5 1 0 2 8 31 61 65 50 19 3 1 1 5 22 49 57 45 18 3 1 1 3 9 15 14 8 2 0 0 1 4 15 36 43 28 9 1 0 0 2 10 29 38 25 9 2 1 0 1 2 3 3 2 1 0 0 0 1 3 9 10 6 2 1 0 0 1 2 8 9 6 3 1 1 !Region 6: Section 7->9 1 0 1 1 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 3 4 4 2 2 0 1 1 1 2 0 1 1 2 0 0 1 0 0 0 0 0 1 0 0 1 2 6 10 10 5 1 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 1 1 0 0 1 4 10 16 13 6 2 1 0 1 1 0 2 2 2 1 0 0 0 0 0 0 0 1 0 0 1 1 6 12 17 16 7 4 1 0 0 0 0 2 3 3 3 1 0 0 0 0 0 1 1 1 0 1 1 6 13 17 16 7 3 1 0 0 1 1 3 4 2 2 1 0 0 0 0 0 1 1 0 0 0 1 4 9 13 12 6 2 1 0 0 1 1 2 3 2 1 0 0 0 0 0 0 1 0 1 0 0 2 3 6 10 8 5 2 1 0 2 2 1 2 3 2 1 1 0 1 0 0 1 1 1 0 0 0 0 1 2 2 2 1 1 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 31.43 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 7 Sum = 6436.38; Maximum = 114.543; FM = 0.845 !Region 7: Section 1->3 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 -1 0 0 0 0 1 1 0 0 -1 0 0 -1 0 2 3 2 1 -1 0 0 0 0 0 0 0 0 -1 0 0 1 1 0 2 2 0 -1 0 0 1 2 6 14 10 3 0 0 0 0 0 0 0 1 0 -1 -1 0 0 1 3 6 5 1 -1 0 0 0 5 21 37 24 8 0 1 1 0 0 0 1 0 -1 -1 0 0 0 2 7 12 6 1 0 0 0 1 12 36 58 37 13 2 1 0 0 0 0 0 -1 0 0 -1 -1 1 2 7 13 8 3 1 0 -1 2 16 40 63 47 18 3 0 -1 0 0 0 0 0 0 0 0 0 0 2 5 12 11 3 1 0 0 2 15 33 56 47 16 3 0 0 0 0 0 0 0 -1 0 0 0 0 1 4 8 7 1 0 1 0 2 10 25 42 30 7 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 4 9 14 8 2 0 -1 0 !Region 7: Section 4->6 0 0 0 2 2 1 0 0 0 0 0 0 3 4 4 1 0 0 0 0 1 2 5 5 3 1 0 0 0 2 8 11 8 1 0 -1 0 0 2 12 24 20 5 1 -1 0 0 1 11 24 21 8 2 0 0 2 12 30 31 17 4 0 0 0 2 10 37 57 36 10 1 0 1 2 7 30 50 33 10 2 0 1 9 35 69 58 28 8 1 0 1 6 28 74 84 49 17 1 0 0 2 15 52 66 40 14 2 0 2 21 60 98 78 38 11 1 0 1 14 47 93 96 61 20 2 0 0 4 22 59 70 47 14 1 0 4 32 70100 85 44 10 1 0 3 22 54 84 90 60 16 1 0 1 5 21 45 60 44 11 1 0 5 30 60 89 75 32 7 1 0 3 19 44 69 70 39 9 1 0 0 2 13 30 41 28 7 0 -1 3 21 47 67 46 14 2 -1 -1 1 12 32 49 40 17 3 -1 0 -1 1 7 17 20 11 2 0 0 1 7 20 23 13 2 0 -1 -1 1 4 14 18 10 3 0 -1 0 0 1 3 6 4 2 0 0 0 !Region 7: Section 7->9 0 0 1 1 3 4 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 11 6 3 1 0 0 0 2 2 3 2 2 1 0 0 0 0 0 0 0 1 0 0 2 4 14 22 16 7 3 0 0 1 1 3 4 4 3 2 0 0 0 0 0 0 0 0 1 0 0 2 6 22 27 17 7 2 1 0 1 1 4 5 4 3 1 1 0 0 0 0 0 0 0 0 0 1 2 7 23 29 19 6 2 0 0 1 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 6 15 23 17 5 0 0 -1 0 1 1 3 3 1 0 0 0 0 0 -1 0 0 -1 0 0 -1 0 2 8 15 11 4 0 -1 -1 -1 0 1 3 2 2 0 -1 -1 -1 0 0 0 0 0 0 0 -1 0 1 3 6 3 1 1 0 0 0 0 0 1 -1 1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 1 1 1 0 1 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 64.94 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 8 Sum = 17190.1; Maximum = 366.945; FM = 0.888 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 11 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 17 26 23 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 8 25 32 31 15 4 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 3 13 27 30 31 16 6 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 3 10 21 24 23 11 5 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 2 7 15 16 12 5 3 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 1 1 5 5 4 1 0 0 !Region 8: Section 4->6 0 0 0 1 2 1 0 0 0 0 0 1 3 3 2 1 0 0 0 1 2 4 4 2 1 0 0 0 1 2 6 11 8 2 1 0 0 1 5 12 16 9 2 1 0 1 3 8 14 14 9 3 1 0 0 1 4 24 41 30 7 1 0 0 2 10 34 48 29 7 1 0 0 4 14 28 27 15 4 1 0 0 1 11 55 86 66 19 4 1 0 3 17 62 87 64 18 3 0 0 5 21 40 39 24 7 2 0 0 3 24 77100 89 37 9 1 0 4 25 77 96 82 34 7 1 0 4 19 43 40 28 12 3 0 0 7 34 79 92 90 40 11 1 0 5 28 72 87 81 38 9 1 0 2 12 34 37 27 12 3 0 0 6 27 61 73 69 30 8 2 0 4 20 50 67 64 28 5 1 0 1 6 18 26 20 9 2 0 0 3 16 40 47 39 14 4 1 0 2 11 28 40 37 13 3 1 0 1 2 7 12 11 4 1 0 0 1 3 13 15 11 4 1 0 0 0 2 8 12 11 4 1 0 0 0 1 1 3 3 1 0 0 !Region 8: Section 7->9 0 1 1 3 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 8 6 3 1 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 8 14 11 7 3 1 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 12 18 12 6 2 1 0 0 0 2 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 10 18 12 6 2 1 0 0 0 1 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 11 5 1 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 7 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 78.67 Thresh = 0.020 Blend = F #Contributing = 17 InitialProfileWt = 0.154 Region 9 Sum = 33633.6; Maximum = 751.255; FM = 0.888 !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 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 7 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 0 0 0 1 1 10 26 23 15 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 1 2 13 23 23 19 8 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 1 3 10 16 16 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 1 3 8 10 11 11 8 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 2 4 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 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 9: Section 4->6 0 0 1 3 7 6 3 1 0 0 1 1 5 9 10 5 2 0 0 0 1 4 6 6 4 2 0 0 1 2 12 24 20 11 4 1 0 2 5 18 36 31 17 6 1 0 2 5 13 23 20 11 4 1 0 2 6 37 82 65 38 10 1 0 3 11 47 89 72 40 12 2 0 3 9 24 37 32 17 6 1 0 3 12 51 78 74 49 21 1 0 7 25 70100 97 52 21 2 0 5 17 35 48 47 21 8 1 0 5 16 46 66 64 43 23 1 0 11 36 77100 98 53 25 2 0 8 26 45 53 50 22 9 1 0 3 11 33 47 48 33 21 1 0 5 22 57 79 78 39 19 1 0 4 16 33 43 40 15 5 1 0 2 7 16 24 24 11 4 0 0 3 12 29 46 49 15 5 1 0 2 8 18 28 29 7 2 0 0 1 3 6 11 10 4 1 0 0 1 3 10 21 21 6 2 0 0 1 2 7 13 13 3 1 0 0 0 1 1 2 2 1 0 0 0 0 1 1 3 3 2 1 0 0 0 0 1 1 2 1 0 0 !Region 9: Section 7->9 0 0 1 1 2 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 5 3 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 6 7 6 3 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 6 8 6 3 1 0 0 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 5 7 7 5 2 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 5 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (200 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 200 0 200 12.9331 1.4501 6.835 64.230 Orientation ('UB') matrix: 0.1439068 0.0358732 -0.0040739 0.0304666 -0.0025384 0.0770864 0.0658462 -0.0772262 -0.0044262 A B C Alpha Beta Gamma Vol 6.2486 11.7386 13.0242 90.000 96.779 90.000 948.64 0.0005 0.0007 0.0008 0.000 0.004 0.000 0.15 Corrected for goodness of fit: 0.0009 0.0011 0.0012 0.000 0.006 0.000 0.24 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.213 96.097 24.261 Goniometer zeros (deg): 0.0000* 0.0164 0.0000* -0.0217 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.3885 -0.4920 0.0809 -0.1978 -0.1642 0.7214 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.89122e+03 1.45141e+03 1.59 3 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 200 200 186 Average input ESD (pix, pix, deg): 0.17275 0.14204 0.06382 Goodness of fit: 1.93291 1.00123 1.64560 Average missing volume: 0.029 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:21:58 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 99.57% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 13 0.78 0.78 2.27 1.000 2_0003 2 0.08 -0.00 0.00 0.17 0.07 0.05 37259 19 0 0.67 28 0.78 0.78 2.27 1.000 3_0004 5 0.02 -0.06 0.14 0.09 0.10 0.20 113362 29 0 0.63 28 0.78 0.78 2.27 1.000 4_0005 5 0.13 -0.00 0.03 0.31 0.03 0.10 126290 34 0 0.70 31 0.78 0.78 2.27 1.000 5_0006 7 0.09 -0.09 0.07 0.20 0.11 0.14 104846 30 14 0.68 28 0.78 0.78 2.27 1.000 6_0007 9 -0.08 0.02 0.06 0.12 0.09 0.13 147514 45 11 0.78 38 0.78 0.78 2.27 1.000 7_0008 9 -0.04 0.13 -0.02 0.21 0.42 0.19 104893 32 0 0.62 30 0.78 0.78 2.27 1.000 8_0009 4 -0.03 0.01 0.07 0.05 0.08 0.08 86438 23 0 0.81 33 0.78 0.78 2.27 1.000 9_0010 5 0.08 -0.05 0.05 0.15 0.07 0.17 187396 45 0 0.68 24 0.78 0.78 2.27 1.000 10_0011 6 -0.03 0.04 -0.00 0.14 0.08 0.06 116418 27 0 0.70 29 0.78 0.78 2.27 1.000 11_0012 8 -0.03 -0.05 -0.00 0.11 0.07 0.08 201440 47 13 0.73 30 0.78 0.78 2.27 1.000 12_0013 4 0.01 0.00 0.27 0.04 0.05 0.52 165103 38 0 0.82 35 0.78 0.78 2.27 1.000 13_0014 7 0.00 0.00 0.02 0.06 0.03 0.06 140271 44 0 0.84 27 0.78 0.78 2.27 1.000 14_0015 7 0.05 0.02 0.01 0.20 0.17 0.11 65301 17 0 0.65 29 0.78 0.78 2.27 1.000 15_0016 7 -0.04 0.01 -0.04 0.27 0.05 0.11 113765 30 0 0.69 37 0.78 0.78 2.27 1.000 16_0017 8 -0.03 -0.04 0.01 0.06 0.05 0.07 207101 53 0 0.80 38 0.78 0.78 2.27 1.000 17_0018 5 0.23 -0.04 0.01 0.33 0.11 0.11 71117 18 0 0.54 30 0.78 0.78 2.27 1.000 18_0019 5 0.01 -0.02 0.01 0.03 0.03 0.05 90985 26 0 0.88 36 0.78 0.78 2.27 1.000 19_0020 7 -0.02 0.06 -0.05 0.11 0.17 0.10 136484 35 0 0.70 27 0.78 0.78 2.27 1.000 Background pixels updated = 99.59% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 7 0.10 -0.06 -0.04 0.21 0.11 0.07 72384 21 0 0.74 26 0.78 0.78 2.27 1.000 21_0022 3 0.04 -0.01 -0.07 0.06 0.08 0.09 143140 30 0 0.74 33 0.78 0.78 2.27 1.000 22_0023 7 0.03 0.02 -0.06 0.10 0.04 0.08 119952 35 0 0.77 29 0.78 0.78 2.27 1.000 23_0024 6 0.01 0.02 0.02 0.10 0.05 0.04 79075 28 0 0.85 40 0.78 0.78 2.27 1.000 24_0025 10 0.04 -0.02 0.01 0.10 0.06 0.08 129909 32 0 0.75 26 0.78 0.78 2.27 1.000 25_0026 7 0.09 -0.06 0.02 0.13 0.13 0.07 111180 31 0 0.79 31 0.78 0.78 2.27 1.000 26_0027 4 -0.02 -0.03 -0.02 0.04 0.03 0.09 110718 28 0 0.76 27 0.78 0.78 2.27 1.000 27_0028 4 0.38 0.10 0.06 0.64 0.35 0.20 93492 19 0 0.65 28 0.78 0.78 2.27 1.000 28_0029 5 0.06 -0.07 -0.01 0.09 0.13 0.11 102353 40 0 0.75 29 0.78 0.78 2.27 1.000 29_0030 3 -0.27 0.14 -0.13 0.58 0.25 0.18 71755 22 0 0.75 40 0.78 0.78 2.27 1.000 30_0031 4 0.08 0.01 -0.06 0.08 0.01 0.11 102150 39 0 0.69 28 0.78 0.78 2.27 1.000 31_0032 7 -0.02 -0.02 0.05 0.14 0.05 0.20 173198 44 14 0.77 32 0.78 0.78 2.27 1.000 32_0033 5 -0.05 -0.03 -0.02 0.14 0.04 0.07 122038 32 0 0.88 29 0.78 0.78 2.27 1.000 33_0034 5 0.02 0.06 0.02 0.13 0.15 0.07 150041 44 0 0.72 29 0.78 0.78 2.27 1.000 34_0035 5 0.02 0.03 -0.10 0.08 0.09 0.15 97738 29 20 0.62 35 0.78 0.78 2.27 1.000 35_0036 6 0.02 -0.02 -0.06 0.05 0.03 0.06 118722 28 0 0.76 38 0.78 0.78 2.27 1.000 36_0037 5 0.06 -0.03 -0.04 0.11 0.07 0.09 219775 38 0 0.82 31 0.78 0.78 2.27 1.000 37_0038 4 -0.10 -0.12 -0.06 0.23 0.20 0.06 140813 33 0 0.83 32 0.78 0.78 2.27 1.000 38_0039 2 -0.03 0.02 -0.01 0.06 0.04 0.06 143107 34 0 0.87 30 0.78 0.78 2.27 1.000 39_0040 9 0.27 -0.03 0.00 0.57 0.35 0.21 157832 33 11 0.66 29 0.78 0.78 2.27 1.000 Background pixels updated = 99.58% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40_0041 9 0.06 0.06 0.04 0.13 0.15 0.14 154012 41 11 0.71 26 0.78 0.78 2.27 1.000 41_0042 9 0.05 0.06 -0.02 0.10 0.17 0.12 100728 26 11 0.71 32 0.78 0.78 2.27 1.000 42_0043 5 0.03 -0.03 -0.02 0.05 0.04 0.07 282827 58 0 0.87 35 0.78 0.78 2.27 1.000 I/Sigma = 92.23 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.024 Region 1 Sum = 44276.1; Maximum = 820.201; FM = 0.929 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 2 6 10 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 3 1 0 0 0 2 9 26 38 17 7 2 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 1 0 0 2 8 20 32 20 10 4 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 5 2 1 0 0 3 9 24 43 30 14 4 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 4 1 0 0 1 3 9 22 36 21 9 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 11 21 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 1 0 0 0 0 1 4 10 17 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 !Region 1: Section 4->6 0 1 2 5 8 5 2 0 0 0 1 2 6 10 9 2 0 0 0 0 2 4 6 6 2 0 0 0 1 4 14 21 13 5 2 0 0 2 7 20 28 19 6 1 0 0 2 6 14 19 13 4 1 0 1 5 19 54 79 37 13 3 0 1 6 25 60 91 50 16 3 0 1 4 16 36 53 31 11 2 0 1 7 23 51 71 45 19 6 1 2 12 39 71 92 62 23 5 1 2 10 37 50 61 40 15 3 0 1 10 30 60 86 59 25 6 1 2 18 50 82100 66 26 6 1 2 13 40 55 60 38 15 3 0 2 12 32 58 76 48 19 4 1 3 22 56 82 93 64 24 5 1 3 17 52 60 60 41 15 3 0 1 5 16 31 43 25 9 2 0 1 10 28 48 54 33 11 2 0 1 8 23 36 35 21 7 2 0 1 3 10 23 34 14 5 1 0 1 5 16 31 38 20 6 1 0 1 4 12 22 24 14 4 1 0 0 0 2 4 5 4 1 0 0 0 1 3 8 8 8 2 0 0 0 1 3 8 6 5 1 0 0 !Region 1: Section 7->9 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 6 4 2 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 11 12 9 4 1 0 0 1 2 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 1 5 20 19 19 12 5 1 0 0 2 6 6 5 4 2 1 0 0 0 0 1 1 0 0 0 0 1 5 18 18 16 10 4 1 0 0 2 5 5 4 3 2 1 0 0 0 0 0 0 0 0 0 0 2 7 28 24 18 11 4 1 0 0 2 7 7 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 3 10 15 11 6 2 1 0 0 1 3 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 9 7 4 1 0 0 0 0 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 103.93 Thresh = 0.020 Blend = F #Contributing = 72 InitialProfileWt = 0.009 Region 2 Sum = 51630.7; Maximum = 1028.54; FM = 0.903 !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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 3 6 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 2 1 0 0 0 2 7 13 12 5 2 0 0 0 0 0 0 0 0 0 0 0 0 2 5 6 5 2 1 0 0 1 5 16 20 16 7 2 0 0 0 0 0 0 0 0 0 0 0 0 3 5 7 6 3 1 0 0 1 9 18 22 18 10 3 0 0 0 0 0 0 0 0 0 0 0 0 3 5 5 4 2 1 0 0 1 8 15 18 14 7 2 0 0 0 0 1 1 0 0 0 0 0 1 3 5 5 4 2 1 0 0 1 7 12 15 11 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 3 1 0 0 0 1 2 6 8 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 2 2 1 0 0 !Region 2: Section 4->6 0 0 0 2 5 5 2 0 0 0 0 1 6 15 12 4 1 0 0 0 1 6 13 11 3 1 0 0 0 1 7 14 12 4 1 0 0 1 4 17 30 22 7 2 0 0 1 5 17 28 20 7 2 0 0 1 6 24 42 35 14 3 0 0 2 14 59 95 79 37 8 0 0 3 15 54 84 70 33 7 0 0 2 11 30 42 36 20 6 0 0 3 23 60 82 78 51 17 0 0 4 23 56 76 73 49 17 0 0 3 18 35 45 38 22 6 0 0 5 35 69 88 78 50 13 0 1 5 32 63 81 73 46 13 0 0 2 15 34 46 40 23 6 0 0 3 26 71100 94 58 14 0 0 3 24 63 90 87 53 13 0 0 1 7 17 24 19 9 2 0 0 2 10 28 41 32 14 3 0 0 2 10 26 38 29 12 2 0 0 1 3 9 14 11 4 1 0 0 1 4 16 26 20 7 1 0 0 1 4 15 23 17 6 1 0 0 0 1 2 3 3 1 0 0 0 0 1 2 6 5 1 0 0 0 0 1 2 5 4 1 0 0 !Region 2: Section 7->9 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 8 6 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 15 21 18 8 2 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 17 25 24 15 5 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 2 9 18 26 26 14 4 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 8 18 25 25 14 3 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 13 10 4 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 7 5 2 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 74.77 Thresh = 0.020 Blend = F #Contributing = 20 InitialProfileWt = 0.118 Region 3 Sum = 29432.7; Maximum = 682.851; FM = 0.931 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 3 3 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 6 6 4 4 4 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 0 0 1 4 7 8 7 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 1 3 6 8 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 2 5 8 7 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 !Region 3: Section 4->6 0 0 1 2 3 3 2 1 1 0 0 1 2 4 4 2 1 0 0 0 1 1 2 2 1 0 0 0 1 4 11 15 11 6 3 2 0 2 6 15 23 17 8 2 1 0 1 3 8 12 8 4 1 0 1 3 11 27 37 31 14 6 2 1 4 17 47 65 52 19 4 1 1 3 11 34 36 24 8 2 0 1 5 21 44 56 49 25 7 1 1 9 35 79 98 82 36 6 1 1 6 24 55 57 41 17 3 0 1 7 26 48 58 51 26 7 1 2 14 47 87100 87 42 9 1 2 10 32 56 58 47 22 5 1 1 7 23 44 51 41 18 6 1 2 14 44 77 86 71 32 10 2 2 11 29 46 50 41 21 7 1 1 4 15 30 35 25 10 4 1 2 9 28 53 60 44 18 7 1 2 8 18 30 36 27 13 5 1 1 2 7 16 19 11 5 2 0 1 4 14 28 33 20 8 3 1 1 4 9 17 21 14 6 3 1 0 0 0 2 4 2 1 1 0 0 0 1 4 8 4 2 1 0 0 0 1 4 6 4 1 1 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 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 3 10 6 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 16 11 4 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 15 12 7 3 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 8 11 11 8 5 2 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 7 9 7 4 2 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 5 6 5 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 77.14 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 4 Sum = 25249.5; Maximum = 631.4; FM = 0.913 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 0 3 10 13 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 1 5 14 14 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 6 13 12 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 7 11 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 6 9 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 0 3 11 7 3 1 0 0 0 1 4 12 5 2 1 0 0 0 0 2 4 2 1 0 0 0 0 2 12 29 23 9 2 0 0 1 3 16 34 21 8 3 1 0 1 2 8 15 9 3 1 0 0 0 4 23 47 39 14 3 1 0 1 8 39 68 50 19 5 1 0 1 5 24 37 25 9 3 1 0 1 10 33 56 47 20 4 1 0 2 22 65 98 75 29 6 1 0 2 15 48 62 42 14 3 0 0 2 17 39 55 44 20 4 1 1 6 40 81100 79 31 5 1 1 6 31 63 66 47 15 2 0 0 4 18 38 47 34 12 2 0 1 10 45 78 86 61 21 2 0 1 9 35 60 58 38 12 1 0 0 3 12 27 32 17 5 1 0 1 9 29 58 60 32 9 1 0 1 7 24 47 41 22 6 1 0 0 2 5 12 15 7 2 0 0 1 5 12 29 32 14 3 0 0 1 4 12 26 24 11 3 0 0 0 1 1 3 4 1 0 0 0 0 1 3 7 9 3 1 0 0 0 1 3 7 7 3 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 10 10 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 15 12 6 2 1 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 16 13 6 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 14 10 5 1 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 9 7 3 1 0 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 45.47 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 5 Sum = 10259.6; Maximum = 223.206; FM = 0.893 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 1 4 6 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 6 3 1 0 0 0 2 7 19 22 9 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 7 4 1 0 0 0 3 9 23 26 12 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 6 3 1 0 0 0 3 9 19 22 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 2 8 16 13 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 2 1 0 1 0 0 2 6 12 8 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 0 0 0 0 0 1 1 3 5 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 !Region 5: Section 4->6 0 1 5 7 10 4 1 0 0 0 1 2 5 7 4 1 0 0 0 0 0 2 3 2 1 0 0 0 3 12 28 30 13 3 0 0 0 2 8 24 30 18 6 1 0 0 1 2 11 16 11 4 1 0 0 5 18 41 45 24 6 1 0 1 4 18 49 63 39 13 2 0 1 2 8 27 42 27 9 2 0 0 6 23 44 51 31 8 1 0 1 7 30 67 92 66 20 3 0 1 3 15 43 69 53 17 3 0 0 7 23 42 45 31 11 2 0 1 9 37 74100 83 31 5 1 0 5 22 56 83 71 26 5 1 0 4 19 35 35 25 11 2 0 0 6 35 70 90 76 32 6 0 0 4 24 56 82 71 29 6 1 0 2 10 22 25 16 7 2 0 0 3 19 53 73 53 23 5 1 0 2 15 46 69 51 22 5 1 0 0 3 9 14 9 4 1 0 0 1 6 26 48 33 12 3 1 0 1 6 25 48 33 13 3 0 0 0 1 3 4 3 1 1 0 0 0 2 7 14 11 3 1 0 0 0 1 7 14 11 4 1 0 !Region 5: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 1 1 1 1 1 0 0 -1 -1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 7 5 3 1 0 0 0 -1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 7 15 13 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 12 20 19 8 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 4 13 24 22 9 3 1 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 13 22 18 8 3 1 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 8 17 12 6 2 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 5 3 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 25.04 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.393 Region 6 Sum = 3936.88; Maximum = 76.6465; FM = 0.854 !Region 6: Section 1->3 0 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 5 6 3 0 0 0 0 0 2 10 13 6 0 0 1 0 0 0 0 1 1 0 1 1 0 0 1 5 9 6 0 1 1 0 1 4 13 21 13 2 1 1 0 0 0 0 0 0 0 1 0 0 0 1 6 10 7 0 1 0 0 0 3 15 25 17 3 2 0 -1 1 0 0 0 0 0 -1 -1 0 1 1 5 9 6 1 0 0 0 1 3 13 23 17 5 2 2 0 1 0 1 0 0 1 0 -1 0 1 0 4 7 6 2 1 -1 0 1 2 9 17 15 5 1 0 0 0 -1 0 0 1 0 0 0 0 0 0 2 4 5 1 0 0 0 0 1 5 10 10 3 1 0 0 0 0 0 0 0 0 1 -1 0 1 1 1 1 1 0 0 -1 0 1 2 2 4 4 1 0 -1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 0 -1 0 !Region 6: Section 4->6 0 0 1 2 2 2 1 0 0 0 -1 0 2 5 7 5 1 0 0 -1 0 2 5 8 5 1 0 0 1 6 10 10 6 3 1 0 0 1 3 11 27 30 17 3 0 0 1 2 9 25 34 20 4 1 0 2 10 21 23 13 6 1 0 0 1 8 31 62 61 31 6 0 0 1 5 25 61 70 39 8 1 0 3 15 30 32 20 9 2 0 0 3 17 55 89 85 46 10 1 0 2 12 50 88 94 54 12 1 0 4 18 31 32 23 12 4 0 1 6 29 67 91 93 58 16 1 1 4 23 64 93100 66 17 2 1 4 14 27 27 20 9 3 1 1 7 25 61 80 77 48 16 2 0 5 20 58 85 84 57 19 3 1 3 8 20 19 14 6 2 1 1 5 14 43 59 56 32 10 1 1 4 11 37 64 61 38 12 1 0 2 4 11 11 8 3 0 0 1 2 7 22 37 34 17 4 1 1 2 5 19 39 38 20 6 1 0 1 2 2 2 2 1 0 0 0 1 2 5 9 8 5 0 0 0 1 1 5 9 9 6 1 1 !Region 6: Section 7->9 0 0 0 1 2 2 2 1 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 7 11 7 3 1 0 1 1 2 1 1 1 2 1 0 1 0 0 0 0 0 1 0 0 0 2 6 16 21 14 4 1 0 0 1 2 1 2 3 2 1 0 0 0 1 0 0 1 1 0 0 1 3 12 23 28 18 5 1 0 1 1 1 1 2 3 2 0 0 0 0 0 0 1 1 1 0 1 1 5 16 26 30 22 7 2 1 0 1 0 1 3 4 3 1 0 0 1 0 0 1 1 1 0 1 1 4 14 25 27 21 8 2 1 1 0 1 2 4 4 3 2 0 0 0 0 0 1 1 1 0 0 1 2 9 19 20 14 5 1 0 0 1 1 2 3 3 2 1 0 0 0 0 0 1 1 1 0 0 1 3 5 12 13 9 4 1 -1 1 2 2 2 3 3 2 1 0 0 1 1 0 1 1 1 0 0 0 1 2 3 4 3 1 0 -1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 32.36 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 7 Sum = 6616.77; Maximum = 112.989; FM = 0.912 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 1 1 0 0 -1 -1 0 0 0 1 4 4 2 0 0 0 0 0 0 0 0 0 -1 -1 0 0 1 0 2 2 1 -2 0 0 0 1 4 14 14 7 1 1 0 0 0 0 0 0 0 0 -1 0 0 0 2 7 5 1 0 -1 0 0 2 14 37 30 13 2 0 0 0 0 0 1 0 0 0 0 0 0 1 3 10 7 2 1 0 0 0 5 21 51 42 19 5 1 0 0 0 0 0 0 0 0 0 0 0 2 2 9 7 3 1 0 0 1 7 20 46 47 23 6 1 0 0 0 0 0 0 0 0 0 0 0 0 3 7 8 4 0 1 0 0 5 17 38 42 19 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 2 0 0 0 0 3 11 26 26 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 5 8 7 2 0 0 0 !Region 7: Section 4->6 0 0 1 2 3 4 1 0 0 0 0 0 3 7 9 4 0 0 0 0 0 2 8 9 6 1 0 0 0 2 10 17 14 5 0 0 0 1 2 14 35 35 14 1 0 0 1 2 12 37 37 17 4 1 0 2 10 34 44 28 11 2 0 0 2 10 41 73 56 24 4 0 0 2 7 32 68 54 24 5 0 0 5 28 73 73 44 14 3 0 0 4 24 74 97 75 31 6 0 1 2 13 52 82 66 29 6 0 1 11 45 92 90 56 20 3 0 1 10 41 84100 81 34 6 0 1 5 20 52 76 69 29 5 0 1 15 49 86 90 55 17 2 1 1 12 44 74 87 68 25 3 1 1 3 17 39 59 56 21 2 0 1 12 39 72 74 39 9 1 0 1 9 32 59 66 43 11 1 0 0 1 10 26 38 32 10 1 0 0 7 28 52 48 16 2 -1 -1 0 4 22 42 39 15 3 -1 -1 -1 0 6 16 18 11 3 0 0 0 2 11 17 11 3 0 0 0 0 1 8 14 9 3 0 0 0 0 0 2 5 4 2 1 0 0 !Region 7: Section 7->9 0 0 0 1 4 5 5 2 0 1 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 1 1 6 18 18 11 4 1 0 1 0 2 3 4 4 2 1 0 0 0 0 0 1 0 1 1 0 2 4 14 30 25 13 4 0 0 1 2 4 5 6 5 2 1 0 0 0 1 0 1 1 1 1 1 1 5 21 37 28 13 5 1 0 1 1 4 8 7 5 3 1 0 0 1 1 0 0 1 0 0 1 2 5 18 33 29 13 3 0 0 1 0 2 7 5 3 2 0 0 1 0 0 0 0 0 0 0 0 0 4 11 22 24 10 2 0 -1 -1 1 1 3 4 4 1 0 0 -1 0 0 0 0 0 0 0 -1 -1 1 5 12 14 6 2 0 -1 -1 0 1 3 3 2 1 0 0 0 0 0 1 0 0 0 0 -1 0 1 3 3 4 1 1 1 0 0 1 0 0 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 -1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 67.03 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.230 Region 8 Sum = 18950.9; Maximum = 446.417; FM = 0.921 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 19 13 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 6 14 20 18 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 7 14 18 17 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 5 10 13 11 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 7 9 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 !Region 8: Section 4->6 0 0 1 2 3 2 1 0 0 0 1 2 4 6 3 1 0 0 0 1 3 6 6 3 1 0 0 0 1 3 10 18 11 3 1 0 0 2 8 21 27 15 4 1 0 1 4 11 20 18 10 3 1 0 0 1 7 29 51 31 8 1 0 0 4 17 47 66 37 9 1 0 1 7 20 37 35 17 5 1 0 0 2 14 51 82 56 17 2 0 0 4 26 71 99 65 18 3 0 1 7 26 48 46 26 7 1 0 0 3 24 62 85 71 28 4 0 0 5 32 79100 81 29 4 0 1 5 22 46 46 31 10 2 0 0 4 26 58 74 66 29 5 0 0 5 30 70 88 75 29 4 0 0 3 14 35 39 27 9 1 0 0 3 17 39 54 45 16 3 1 0 3 16 44 62 51 16 2 0 0 1 6 19 25 18 5 1 0 0 1 8 24 33 21 6 1 0 0 1 7 22 37 24 6 1 0 0 1 2 6 13 8 2 0 0 0 0 2 6 9 5 1 0 0 0 0 2 6 9 5 1 0 0 0 0 0 1 3 2 0 0 0 !Region 8: Section 7->9 0 1 2 4 4 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 12 9 7 3 1 0 0 1 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 5 11 18 13 7 3 1 0 0 1 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 1 5 14 22 14 7 2 1 0 0 1 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 10 20 14 6 2 1 0 0 0 2 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 13 11 5 1 1 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 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 0 0 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 = 109.90 Thresh = 0.020 Blend = F #Contributing = 18 InitialProfileWt = 0.135 Region 9 Sum = 46237.6; Maximum = 1063.9; FM = 0.932 !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 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 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 8 13 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 4 10 16 15 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 4 9 13 14 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 7 9 9 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 2 4 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 !Region 9: Section 4->6 0 0 1 2 2 1 1 0 0 0 1 2 4 4 3 1 0 0 0 1 2 3 3 2 1 0 0 0 1 4 11 15 8 3 1 0 1 3 9 20 23 13 4 1 0 1 3 8 15 15 9 3 1 0 0 3 17 42 53 35 8 2 0 2 7 28 62 72 45 12 3 0 2 8 19 36 37 23 7 2 0 1 5 24 52 68 56 21 4 0 4 16 49 87 99 73 28 5 1 5 18 39 57 57 38 14 3 0 1 6 25 48 62 58 32 6 1 4 19 56 91100 82 42 7 1 5 21 48 66 63 43 19 3 0 1 5 18 35 43 44 31 6 1 2 13 44 75 80 67 38 7 1 2 13 38 60 56 37 15 2 0 0 3 9 19 20 17 10 3 0 1 6 20 48 47 32 14 3 0 1 5 18 42 39 22 7 1 0 0 1 4 8 9 6 4 1 0 0 2 6 18 17 11 4 1 0 0 1 5 15 14 7 2 1 0 0 0 1 2 2 2 1 0 0 0 0 1 4 4 2 1 0 0 0 0 1 3 3 2 0 0 0 !Region 9: Section 7->9 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 4 3 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 7 9 8 5 2 0 0 1 2 2 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 2 8 12 14 12 7 2 1 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 9 15 17 13 7 2 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 15 12 6 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 11 9 4 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ................ 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 12.9335 1.4500 6.834 64.238 Orientation ('UB') matrix: 0.1439388 0.0358832 -0.0040516 0.0304477 -0.0025391 0.0770860 0.0658747 -0.0772327 -0.0044167 A B C Alpha Beta Gamma Vol 6.2473 11.7372 13.0248 90.000 96.787 90.000 948.36 0.0005 0.0007 0.0007 0.000 0.004 0.000 0.15 Corrected for goodness of fit: 0.0008 0.0011 0.0011 0.000 0.006 0.000 0.23 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.204 96.094 24.266 Goniometer zeros (deg): 0.0000* 0.0121 0.0000* -0.0301 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.4826 -0.5371 0.0808 -0.1932 -0.1477 0.7455 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.60816e+03 1.41992e+03 1.57 2 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 188 Average input ESD (pix, pix, deg): 0.16573 0.13657 0.05956 Goodness of fit: 1.90409 0.83530 1.70515 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 0.880 1.546 1.857 Average missing volume: 0.028 % with too much missing I: 2.493 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 2. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:22:00 Current XYZ spot size: 0.880 1.546 1.857 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): 0.123 0.178 0.292 Profile convolver halfwidth: 1.00 1.00 2.01 Background pixels updated = 99.50% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 0.00 0.00 2.48 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 13 0.00 0.00 2.48 1.000 2_0003 2 0.08 0.04 0.06 0.16 0.06 0.08 41095 19 0 0.82 25 0.72 1.60 2.48 1.000 3_0004 5 -0.02 -0.07 0.13 0.04 0.10 0.17 116851 29 0 0.69 25 0.82 1.70 2.48 1.000 4_0005 5 -0.18 0.05 0.05 0.36 0.07 0.13 130285 34 0 0.75 27 0.83 1.72 2.40 1.000 5_0006 7 -0.10 -0.00 0.01 0.15 0.12 0.13 107557 30 14 0.73 26 0.85 1.74 2.34 1.000 6_0007 9 -0.08 0.05 0.04 0.11 0.15 0.15 149653 45 11 0.82 35 0.92 1.82 2.25 1.000 7_0008 9 -0.02 -0.08 0.02 0.13 0.17 0.11 107067 32 0 0.69 26 0.92 1.80 2.05 1.000 8_0009 4 -0.03 -0.03 0.10 0.05 0.09 0.13 90059 23 0 0.85 30 0.90 1.80 2.04 1.000 9_0010 5 0.06 -0.04 0.08 0.12 0.09 0.17 190907 45 0 0.75 23 0.90 1.80 2.03 1.000 10_0011 6 0.14 0.01 0.04 0.18 0.08 0.09 120810 27 0 0.74 23 0.89 1.77 2.06 1.000 11_0012 8 -0.03 -0.02 0.02 0.12 0.06 0.06 207081 47 13 0.76 28 0.90 1.80 2.05 1.000 12_0013 4 -0.03 -0.01 0.04 0.03 0.03 0.06 170517 38 0 0.85 33 0.90 1.79 1.99 1.000 13_0014 7 0.01 -0.01 0.01 0.05 0.02 0.04 143281 45 0 0.87 24 0.90 1.79 1.98 1.000 14_0015 7 0.02 0.11 -0.03 0.23 0.25 0.16 67339 17 0 0.70 26 0.90 1.79 1.97 1.000 15_0016 8 0.04 -0.02 0.01 0.11 0.05 0.08 132366 36 0 0.74 33 0.92 1.79 1.98 1.000 16_0017 8 -0.01 0.01 0.01 0.06 0.06 0.05 210904 53 0 0.83 33 0.95 1.83 1.89 1.000 17_0018 5 -0.03 0.06 0.02 0.22 0.11 0.08 74614 18 0 0.58 28 0.94 1.81 1.87 1.000 18_0019 5 0.04 0.01 -0.03 0.06 0.04 0.06 94701 26 0 0.90 33 0.93 1.80 1.87 1.000 19_0020 6 -0.03 0.10 -0.06 0.13 0.22 0.12 164431 40 0 0.74 24 0.93 1.81 1.86 1.000 Background pixels updated = 99.55% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 8 -0.04 -0.02 -0.02 0.12 0.07 0.04 67031 20 0 0.79 26 0.92 1.80 1.86 1.000 21_0022 3 0.02 0.05 -0.07 0.03 0.07 0.10 147829 30 0 0.76 31 0.92 1.80 1.86 1.000 22_0023 7 -0.03 -0.02 -0.17 0.14 0.05 0.34 123309 35 0 0.82 23 0.92 1.80 1.86 1.000 23_0024 6 0.00 -0.02 0.05 0.09 0.06 0.12 81089 28 0 0.88 34 0.91 1.79 1.86 1.000 24_0025 10 0.02 -0.01 0.03 0.12 0.06 0.10 134423 32 0 0.82 25 0.91 1.78 1.85 1.000 25_0026 7 -0.02 0.10 -0.08 0.11 0.17 0.17 114295 32 0 0.83 29 0.91 1.78 1.84 1.000 26_0027 4 0.03 -0.00 -0.07 0.10 0.01 0.07 113654 28 0 0.81 23 0.91 1.79 1.83 1.000 27_0028 4 0.18 -0.31 0.08 0.38 0.49 0.17 99732 19 0 0.70 23 0.91 1.79 1.84 1.000 28_0029 5 0.01 -0.03 -0.05 0.06 0.04 0.07 105300 40 0 0.79 26 0.91 1.80 1.84 1.000 29_0030 3 0.31 -0.18 0.01 0.43 0.31 0.10 73618 22 0 0.81 35 0.91 1.79 1.84 1.000 30_0031 4 0.08 0.01 -0.03 0.09 0.02 0.07 104991 39 0 0.75 23 0.91 1.80 1.84 1.000 31_0032 7 0.11 -0.04 -0.01 0.27 0.06 0.05 180676 45 14 0.80 26 0.91 1.80 1.84 1.000 32_0033 5 0.07 -0.01 -0.01 0.11 0.05 0.04 126358 32 0 0.91 24 0.91 1.80 1.83 1.000 33_0034 5 0.05 0.05 -0.04 0.15 0.13 0.08 155352 44 0 0.78 27 0.91 1.80 1.83 1.000 34_0035 5 -0.08 0.01 0.03 0.12 0.13 0.18 100601 30 20 0.70 31 0.91 1.81 1.84 1.000 35_0036 7 0.05 -0.06 0.05 0.19 0.26 0.14 185864 42 0 0.83 36 0.92 1.81 1.87 1.000 36_0037 5 0.07 0.01 -0.02 0.09 0.04 0.04 225810 39 0 0.85 27 0.92 1.81 1.84 1.000 37_0038 4 -0.04 -0.04 -0.04 0.09 0.08 0.05 145463 33 0 0.86 28 0.92 1.81 1.83 1.000 38_0039 2 -0.01 0.01 -0.01 0.05 0.01 0.04 149761 35 0 0.89 30 0.92 1.81 1.84 1.000 39_0040 9 -0.02 -0.08 -0.02 0.21 0.22 0.18 160449 34 11 0.70 25 0.92 1.81 1.84 1.000 Background pixels updated = 99.48% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40_0041 9 0.03 0.04 0.03 0.09 0.07 0.13 158249 41 11 0.75 24 0.92 1.82 1.84 1.000 41_0042 9 0.05 -0.02 -0.06 0.08 0.15 0.12 104337 26 11 0.74 29 0.92 1.81 1.84 1.000 42_0043 5 0.05 -0.01 -0.04 0.06 0.02 0.08 289965 59 0 0.90 32 0.92 1.82 1.85 1.000 I/Sigma = 93.22 Thresh = 0.020 Blend = F #Contributing = 42 InitialProfileWt = 0.024 Region 1 Sum = 46119.1; Maximum = 1540.74; FM = 0.953 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 1 4 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 9 5 2 0 0 0 1 6 23 34 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 11 8 3 1 0 0 2 9 26 41 30 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 4 1 0 0 0 1 6 16 26 15 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 2 5 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 0 0 0 0 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 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 2 8 13 9 2 1 0 0 1 4 10 16 12 2 1 0 0 1 3 8 11 9 2 1 0 1 3 15 49 68 37 10 2 0 1 5 23 59 80 47 11 2 0 1 4 18 39 51 31 8 1 0 1 7 28 64 84 59 17 3 0 1 12 47 86100 67 19 3 0 1 11 41 63 66 41 12 2 0 1 5 18 41 52 32 8 1 0 1 8 31 58 63 39 10 2 0 1 8 28 44 42 26 6 1 0 0 1 5 13 16 8 2 1 0 0 2 7 18 20 11 2 1 0 0 2 6 14 14 8 2 1 0 0 0 1 1 2 1 0 0 0 0 1 1 2 2 1 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 0 0 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 3 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 15 18 11 3 1 0 0 1 3 4 4 3 1 0 0 0 0 0 1 1 0 0 0 0 0 6 21 26 24 14 4 1 0 0 2 6 7 6 3 1 0 0 0 0 0 1 1 0 0 0 0 0 4 14 20 16 9 2 0 0 0 1 4 5 4 2 1 0 0 0 0 0 1 1 0 0 0 0 0 1 3 6 6 3 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 104.15 Thresh = 0.020 Blend = F #Contributing = 71 InitialProfileWt = 0.009 Region 2 Sum = 53354.8; Maximum = 1869.51; FM = 0.932 !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 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 5 4 2 1 0 0 0 2 10 16 12 4 1 0 0 0 0 1 1 0 0 0 0 0 0 3 6 8 6 3 1 0 0 1 8 19 24 17 7 2 0 0 0 0 1 1 1 0 0 0 0 0 2 5 6 4 2 0 0 0 1 6 13 16 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 4 5 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 9 7 2 1 0 0 0 2 9 19 12 3 1 0 0 0 2 10 18 12 3 1 0 0 1 6 25 44 33 12 2 0 0 2 12 48 84 63 24 5 0 0 2 13 49 82 62 25 5 0 0 2 15 40 56 44 20 4 0 0 3 26 69100 86 40 8 0 0 3 26 67 99 88 41 8 0 0 1 8 24 35 26 10 2 0 0 1 12 39 61 47 18 3 0 0 1 12 38 60 46 18 3 0 0 0 2 5 9 6 2 1 0 0 1 2 8 14 9 2 1 0 0 1 2 8 14 8 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 5 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 20 33 26 10 2 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 11 28 42 39 18 3 0 0 0 1 3 5 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 5 16 26 20 7 1 0 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 3 1 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 I/Sigma = 95.10 Thresh = 0.020 Blend = F #Contributing = 22 InitialProfileWt = 0.090 Region 3 Sum = 50029.6; Maximum = 2205.99; FM = 0.92 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 2 5 7 7 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 1 3 9 13 13 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 8 11 8 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 5 3 3 1 0 1 2 5 8 7 4 3 1 0 1 1 3 5 4 2 1 0 0 2 7 20 33 29 18 11 3 0 3 12 37 58 46 25 12 3 0 2 11 31 43 28 12 5 1 1 5 20 46 61 51 26 9 2 2 12 40 82100 77 35 10 2 2 11 32 59 65 44 18 5 1 1 6 18 36 38 25 9 3 0 2 12 31 54 54 33 12 3 1 2 10 21 32 31 20 8 2 0 0 2 4 8 7 4 2 1 0 1 3 6 10 10 5 2 1 0 1 2 4 6 7 4 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 12 12 5 1 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 18 16 8 3 1 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 7 8 6 3 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 77.46 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.344 Region 4 Sum = 26885.5; Maximum = 1117.31; FM = 0.94 !Region 4: 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 0 3 10 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 5 2 0 0 0 0 1 7 20 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 3 1 0 0 0 0 2 10 19 14 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 7 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: 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 3 4 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 7 19 15 6 1 0 0 0 1 8 20 12 4 1 0 0 1 1 4 9 5 2 1 0 0 0 5 26 52 41 12 3 1 0 1 9 42 73 51 15 3 1 0 1 7 30 47 29 8 2 0 0 1 14 43 62 47 14 2 0 0 4 30 79100 73 19 3 0 0 4 25 64 72 47 11 1 0 0 3 12 32 38 22 5 1 0 1 6 26 61 64 36 7 1 0 1 5 23 51 49 25 5 1 0 0 1 3 8 10 4 1 0 0 0 2 6 16 19 8 1 0 0 0 2 7 16 16 7 1 0 0 0 0 1 1 1 1 0 0 0 0 1 1 2 2 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 8 11 5 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 22 21 11 3 0 0 0 0 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 9 20 17 8 2 0 0 0 0 2 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 7 3 1 0 0 0 0 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 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 I/Sigma = 43.90 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 5 Sum = 11116.1; Maximum = 418.293; FM = 0.935 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 1 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 7 3 1 0 0 0 1 4 13 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 10 5 1 0 0 0 1 7 21 27 12 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 6 3 1 0 0 0 1 6 18 18 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 0 0 1 0 0 1 3 8 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 6 16 19 9 2 0 0 0 1 4 11 16 9 3 0 0 0 0 1 4 8 6 2 1 0 0 2 15 40 50 26 6 1 0 0 3 15 48 68 41 11 1 0 0 1 7 28 48 31 9 1 0 0 3 19 45 53 35 10 1 0 0 4 28 71100 75 24 3 0 0 3 18 54 86 68 22 3 0 0 1 9 26 32 20 8 1 0 0 1 16 50 75 53 20 3 0 0 1 12 45 73 54 19 3 0 0 0 2 5 10 7 2 1 0 0 0 3 13 27 19 6 1 0 0 0 3 13 29 22 7 1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 2 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 !Region 5: 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 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 1 1 1 1 1 0 0 -1 -1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 6 13 10 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 17 31 26 9 2 0 0 0 0 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 17 31 23 9 2 0 0 0 0 2 5 5 2 1 0 0 0 0 0 1 1 0 0 0 0 0 1 6 14 11 5 1 0 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 23.09 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.393 Region 6 Sum = 4244.5; Maximum = 147.584; FM = 0.88 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 -1 0 0 1 1 2 1 0 0 -1 -1 0 0 0 0 0 0 0 0 0 0 1 2 4 2 0 0 0 0 0 1 3 8 5 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 3 8 8 2 0 0 0 -1 1 7 19 18 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 9 3 1 1 0 0 2 7 21 22 8 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 2 0 0 0 0 1 3 9 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 -1 0 0 1 2 3 2 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 1 1 1 -1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 !Region 6: Section 4->6 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 1 1 0 0 0 0 0 1 1 2 1 0 1 0 0 1 1 2 2 1 0 1 0 0 2 6 7 4 2 0 0 0 0 1 5 11 14 7 1 0 0 0 1 4 12 18 9 2 1 0 1 8 24 32 20 7 1 0 0 1 7 29 61 60 27 4 1 0 1 5 26 63 72 35 6 1 0 2 13 34 43 31 14 3 0 0 3 19 58 89 87 46 10 1 0 3 15 56 95100 57 12 2 0 2 7 21 26 20 8 2 0 0 3 12 38 60 55 29 7 1 0 2 10 35 66 65 37 9 1 0 1 2 6 7 6 2 0 0 0 1 3 9 19 17 7 2 1 0 1 3 9 21 20 10 3 1 -1 0 1 1 1 0 0 0 0 0 0 1 3 2 2 1 0 1 0 1 2 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 2 1 1 1 0 0 !Region 6: Section 7->9 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 3 5 7 5 2 0 0 1 1 2 1 0 2 1 0 0 0 0 1 0 0 1 0 0 0 1 2 10 24 31 16 4 1 0 0 1 2 1 3 2 1 0 0 0 0 1 0 1 1 1 0 0 1 5 21 38 43 26 7 1 0 0 1 1 2 4 3 3 1 0 0 0 0 0 1 1 1 0 0 1 4 13 28 29 17 5 1 0 1 1 1 3 4 3 2 1 0 0 0 0 1 1 1 1 0 0 1 2 4 9 10 6 3 1 0 1 1 2 2 2 2 2 1 0 0 0 1 1 1 1 1 0 0 1 2 2 3 3 2 2 1 0 1 1 0 2 1 2 1 1 0 0 0 0 1 1 1 1 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 29.86 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.230 Region 7 Sum = 6953.55; Maximum = 218.851; FM = 0.929 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 3 1 0 -1 0 0 0 0 0 0 0 -1 0 0 0 0 1 5 5 2 -1 0 0 0 1 6 20 24 11 2 0 0 0 0 0 1 0 0 0 0 0 0 1 4 12 13 5 1 0 0 0 3 18 47 53 25 6 1 0 0 0 0 1 0 0 0 0 0 0 0 3 9 12 5 1 1 0 0 3 17 37 47 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 1 7 14 14 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: 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 1 1 1 0 0 0 -1 0 0 0 0 0 -1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 3 3 1 0 0 0 0 4 9 8 2 0 0 0 0 0 5 17 18 6 1 0 0 1 0 5 19 21 9 2 0 0 1 9 37 51 32 10 1 0 0 1 8 40 73 55 20 2 0 0 1 6 32 69 54 20 3 0 0 6 33 80 93 54 16 2 0 0 5 29 76100 74 25 3 0 1 3 14 51 79 65 22 3 0 0 6 32 65 75 38 8 0 0 0 4 26 57 69 42 11 0 0 0 1 9 29 44 34 9 0 0 0 2 13 26 23 7 1 0 -1 0 1 9 22 19 6 1 0 -1 0 0 2 9 10 5 2 0 0 0 1 2 2 1 0 0 -1 1 0 0 1 2 1 0 0 0 0 0 0 0 1 1 1 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 !Region 7: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 4 1 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 1 1 3 11 13 8 3 0 0 1 1 1 3 4 3 2 1 0 0 0 0 0 1 1 1 0 0 1 3 17 36 29 12 2 0 0 1 2 5 8 8 4 1 0 0 0 0 1 1 1 1 0 0 1 2 5 22 40 33 12 2 0 0 1 1 4 10 8 4 1 0 0 0 0 0 1 1 1 0 0 0 0 2 9 19 17 6 0 0 0 -1 1 2 4 4 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 3 2 2 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 65.84 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.230 Region 8 Sum = 20057.3; Maximum = 804.526; FM = 0.935 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 10 19 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 6 21 32 26 8 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 0 1 7 16 22 18 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 2 6 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 2 1 1 0 0 0 1 2 5 10 5 1 1 0 0 1 4 11 15 7 2 0 0 0 2 7 12 12 6 2 0 0 0 1 7 34 60 35 7 1 0 0 2 14 49 71 38 8 1 0 0 4 18 40 41 20 5 1 0 0 2 19 62 91 69 20 2 0 0 3 23 74100 71 20 2 0 0 3 19 49 53 31 9 1 0 0 2 15 44 62 48 14 2 0 0 2 14 46 66 49 13 1 0 0 1 7 24 32 21 5 1 0 0 0 4 15 21 11 3 1 0 0 0 3 13 20 12 2 0 0 0 0 1 4 8 5 1 0 0 0 0 0 2 2 1 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 8 5 2 0 0 0 1 2 4 4 3 1 0 0 0 0 0 1 1 0 0 0 0 0 4 13 22 16 7 3 1 0 0 1 4 7 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 11 24 18 7 2 1 0 0 1 4 7 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 9 9 4 1 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 107.69 Thresh = 0.020 Blend = F #Contributing = 18 InitialProfileWt = 0.135 Region 9 Sum = 47320.5; Maximum = 1922.99; FM = 0.928 !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 1 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 4 13 19 13 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 5 14 22 19 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 6 8 8 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 6 8 4 1 0 0 0 1 4 10 11 6 2 1 0 0 2 4 8 8 5 2 0 0 0 3 15 43 55 32 9 1 0 1 6 26 60 71 39 11 2 0 1 8 23 41 44 24 7 1 0 1 5 24 53 70 54 24 3 0 1 12 48 86100 69 27 3 0 2 14 46 68 70 42 14 2 0 0 2 12 25 31 24 12 2 0 1 5 24 50 56 35 14 2 0 1 5 23 46 48 24 7 1 0 0 1 2 6 6 4 2 0 0 0 1 3 9 10 5 2 0 0 0 1 3 8 8 3 1 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 0 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 1 3 3 3 2 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 14 13 7 2 0 0 1 2 3 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 8 20 25 22 11 3 0 0 0 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 18 16 6 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (203 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 203 0 203 12.9338 1.4501 6.834 64.233 Orientation ('UB') matrix: 0.1439266 0.0358927 -0.0040448 0.0304630 -0.0025492 0.0770838 0.0658882 -0.0772257 -0.0044245 A B C Alpha Beta Gamma Vol 6.2475 11.7374 13.0253 90.000 96.795 90.000 948.44 0.0006 0.0006 0.0008 0.000 0.004 0.000 0.15 Corrected for goodness of fit: 0.0008 0.0009 0.0012 0.000 0.006 0.000 0.22 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.205 96.104 24.272 Goniometer zeros (deg): 0.0000* 0.0081 0.0000* -0.0399 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.4885 -0.5345 0.0810 -0.1915 -0.1280 0.7429 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.26309e+03 1.22948e+03 1.46 2 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 203 203 186 Average input ESD (pix, pix, deg): 0.18820 0.17350 0.06820 Goodness of fit: 1.86498 0.91111 1.38132 Old XYZ spot size: 0.880 1.546 1.857 New XYZ spot size: 0.882 1.544 1.851 Average missing volume: 0.026 % with too much missing I: 2.222 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:22:02 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): 0.882 1.544 1.851 Spot size used (deg): 0.882 1.544 1.851 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 12 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): 0.123 0.178 0.291 Profile convolver halfwidth: 1.00 1.00 2.01 Background pixels updated = 99.51% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 1.85 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 13 0.00 0.00 1.85 1.000 2_0003 2 0.07 0.05 0.08 0.15 0.07 0.08 32368 20 0 0.87 25 0.70 1.16 1.85 1.000 3_0004 7 -0.08 0.25 -0.01 0.27 0.75 0.22 83150 24 0 0.74 25 0.79 1.19 1.85 1.000 4_0005 5 -0.20 0.04 0.06 0.39 0.06 0.13 97400 35 0 0.84 27 0.82 1.22 1.85 1.000 5_0006 7 -0.10 0.00 0.00 0.15 0.12 0.13 80615 30 14 0.75 26 0.83 1.24 1.85 1.000 6_0007 9 -0.08 0.05 0.03 0.12 0.16 0.11 96824 45 11 0.86 35 0.90 1.30 1.85 1.000 7_0008 9 -0.03 -0.08 0.02 0.13 0.16 0.12 84368 32 0 0.77 26 0.90 1.29 1.83 1.000 8_0009 4 -0.04 -0.03 0.09 0.06 0.09 0.12 73315 23 0 0.85 30 0.88 1.29 1.83 1.000 9_0010 5 0.05 -0.03 0.05 0.11 0.08 0.09 153567 45 0 0.74 23 0.88 1.29 1.83 1.000 10_0011 6 0.12 0.01 0.03 0.17 0.09 0.08 100449 27 0 0.76 23 0.87 1.27 1.85 1.000 11_0012 8 -0.04 -0.01 0.02 0.12 0.05 0.06 146516 48 13 0.82 28 0.88 1.30 1.84 1.000 12_0013 4 0.00 0.00 0.03 0.07 0.03 0.05 115298 38 0 0.83 32 0.88 1.29 1.83 1.000 13_0014 7 0.01 -0.01 0.01 0.06 0.02 0.04 106659 45 0 0.88 24 0.88 1.29 1.83 1.000 14_0015 7 0.02 0.11 -0.04 0.22 0.24 0.16 46840 17 0 0.73 26 0.88 1.30 1.83 1.000 15_0016 8 0.04 -0.01 -0.01 0.10 0.04 0.08 94130 37 0 0.75 33 0.90 1.29 1.84 1.000 16_0017 9 -0.07 0.03 0.04 0.18 0.07 0.10 133865 48 0 0.81 33 0.92 1.32 1.81 1.000 17_0018 6 -0.06 0.06 0.01 0.23 0.12 0.08 58585 20 0 0.65 28 0.91 1.31 1.81 1.000 18_0019 5 0.03 0.02 -0.04 0.06 0.05 0.07 62004 26 0 0.90 33 0.91 1.30 1.81 1.000 19_0020 6 -0.04 0.11 -0.05 0.14 0.23 0.12 131301 41 0 0.78 24 0.91 1.31 1.81 1.000 Background pixels updated = 99.56% 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 8 -0.06 -0.01 -0.02 0.14 0.06 0.04 55461 20 0 0.80 26 0.90 1.30 1.81 1.000 21_0022 3 0.02 0.07 -0.07 0.03 0.10 0.10 83827 30 0 0.77 31 0.90 1.30 1.81 1.000 22_0023 7 -0.04 -0.02 -0.14 0.14 0.05 0.28 94517 35 0 0.83 23 0.89 1.30 1.81 1.000 23_0024 6 -0.00 -0.02 0.04 0.09 0.07 0.10 56170 28 0 0.88 34 0.89 1.29 1.81 1.000 24_0025 11 -0.11 0.14 0.00 0.41 0.48 0.13 96644 29 9 0.78 25 0.88 1.29 1.81 1.000 25_0026 7 -0.03 0.10 -0.07 0.11 0.16 0.17 75030 32 0 0.83 29 0.88 1.29 1.81 1.000 26_0027 4 0.02 -0.00 -0.06 0.10 0.01 0.06 97617 28 0 0.81 23 0.89 1.29 1.80 1.000 27_0028 4 0.17 -0.31 0.09 0.39 0.49 0.17 80774 19 0 0.72 23 0.88 1.30 1.81 1.000 28_0029 5 0.00 -0.02 -0.04 0.06 0.04 0.07 78960 40 0 0.81 26 0.88 1.30 1.81 1.000 29_0030 4 0.18 -0.16 -0.04 0.37 0.27 0.13 65804 21 0 0.83 35 0.88 1.29 1.80 1.000 30_0031 4 0.07 0.01 -0.03 0.08 0.01 0.07 84857 39 0 0.76 23 0.88 1.30 1.80 1.000 31_0032 7 0.10 -0.04 -0.01 0.26 0.06 0.04 143674 45 14 0.80 26 0.88 1.30 1.81 1.000 32_0033 5 0.06 -0.01 -0.00 0.10 0.04 0.05 95683 32 0 0.91 24 0.88 1.30 1.80 1.000 33_0034 6 0.04 -0.07 -0.01 0.12 0.30 0.08 107377 39 0 0.81 27 0.88 1.30 1.80 1.000 34_0035 5 -0.08 0.02 0.03 0.11 0.13 0.18 81086 30 20 0.70 31 0.88 1.30 1.81 1.000 35_0036 7 0.05 -0.05 0.06 0.19 0.25 0.14 120083 42 0 0.83 35 0.89 1.31 1.82 1.000 36_0037 5 0.06 0.02 -0.01 0.08 0.04 0.04 129620 39 0 0.85 27 0.89 1.31 1.81 1.000 37_0038 4 -0.03 -0.03 -0.04 0.08 0.08 0.05 100826 33 0 0.87 28 0.89 1.31 1.80 1.000 38_0039 2 -0.01 0.02 -0.00 0.03 0.03 0.04 102766 35 0 0.90 30 0.89 1.31 1.81 1.000 39_0040 9 -0.01 -0.08 -0.01 0.22 0.23 0.18 118401 34 11 0.71 25 0.89 1.31 1.81 1.000 Background pixels updated = 99.49% 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 9 0.03 0.04 0.03 0.11 0.08 0.13 124361 41 11 0.75 24 0.89 1.31 1.81 1.000 41_0042 9 0.06 -0.00 -0.05 0.10 0.14 0.12 77996 26 11 0.74 29 0.89 1.31 1.81 1.000 42_0043 5 0.05 -0.01 -0.04 0.07 0.02 0.08 189403 59 0 0.90 32 0.89 1.31 1.81 1.000 43_0044 10 0.08 -0.02 -0.02 0.21 0.31 0.13 31899 13 10 0.70 27 0.88 1.31 1.81 1.000 44_0045 6 -0.03 0.03 -0.08 0.05 0.07 0.09 66598 33 0 0.75 34 0.89 1.31 1.81 1.000 45_0046 6 -0.05 -0.02 -0.00 0.10 0.08 0.07 131322 32 0 0.78 23 0.89 1.30 1.82 1.000 46_0047 10 0.00 0.03 -0.02 0.13 0.09 0.09 161105 55 0 0.78 28 0.90 1.32 1.83 1.000 47_0048 7 0.49 -0.12 0.09 0.83 0.48 0.15 129060 35 0 0.82 24 0.90 1.32 1.85 1.000 48_0049 4 -0.04 0.08 -0.03 0.07 0.12 0.09 92675 31 0 0.78 37 0.90 1.32 1.85 1.000 49_0050 3 -0.05 0.04 -0.02 0.06 0.07 0.03 154013 34 0 0.82 24 0.90 1.32 1.86 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 (244 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) 244 0 244 12.9330 1.4055 6.835 66.529 Orientation ('UB') matrix: 0.1439324 0.0358962 -0.0040294 0.0304434 -0.0025597 0.0770896 0.0658932 -0.0772264 -0.0044281 A B C Alpha Beta Gamma Vol 6.2474 11.7371 13.0245 90.000 96.797 90.000 948.33 0.0005 0.0006 0.0007 0.000 0.004 0.000 0.14 Corrected for goodness of fit: 0.0007 0.0009 0.0011 0.000 0.005 0.000 0.20 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.196 96.107 24.274 Goniometer zeros (deg): 0.0000* 0.0030 0.0000* -0.0516 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.4889 -0.5290 0.0805 -0.1950 -0.1133 0.7428 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.73233e+03 1.49871e+03 1.46 2 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 244 244 227 Average input ESD (pix, pix, deg): 0.20113 0.18201 0.11016 Goodness of fit: 1.82955 1.00274 1.38691 Background pixels updated = 99.49% 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 0.05 -0.00 -0.02 0.09 0.10 0.09 97807 36 0 0.82 27 0.90 1.32 1.85 1.000 51_0052 4 -0.13 0.06 -0.14 0.22 0.09 0.15 41721 13 50 0.61 25 0.90 1.32 1.87 1.000 52_0053 2 0.06 -0.16 0.06 0.13 0.21 0.09 18431 9 0 0.82 23 0.89 1.32 1.87 1.000 53_0054 6 0.02 0.03 -0.05 0.09 0.07 0.09 78572 34 0 0.87 31 0.90 1.32 1.87 1.000 54_0055 4 -0.16 0.15 -0.11 0.36 0.31 0.13 91130 36 0 0.76 38 0.90 1.32 1.87 1.000 55_0056 6 -0.00 -0.01 -0.08 0.20 0.07 0.10 116837 52 0 0.84 27 0.91 1.32 1.87 1.000 56_0057 5 0.03 -0.01 -0.08 0.09 0.02 0.08 166024 63 0 0.83 38 0.91 1.32 1.88 1.000 57_0058 10 0.03 -0.03 -0.07 0.11 0.08 0.08 121088 43 0 0.83 27 0.91 1.31 1.90 1.000 58_0059 6 0.09 -0.04 -0.03 0.13 0.09 0.06 64718 23 0 0.78 29 0.90 1.31 1.90 1.000 59_0060 6 -0.00 0.01 -0.06 0.06 0.08 0.07 100809 37 0 0.86 28 0.90 1.31 1.90 1.000 Background pixels updated = 99.49% 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 0.63 -0.08 0.06 0.87 0.37 0.14 93359 29 0 0.52 25 0.90 1.31 1.90 1.000 61_0062 8 0.06 -0.01 0.01 0.20 0.15 0.13 97463 33 0 0.73 32 0.90 1.31 1.90 1.000 62_0063 8 0.10 0.01 -0.12 0.31 0.11 0.31 36861 16 25 0.68 23 0.90 1.31 1.90 1.000 63_0064 6 0.18 -0.00 -0.01 0.29 0.06 0.07 55333 23 0 0.76 24 0.90 1.31 1.90 1.000 64_0065 6 0.03 0.03 -0.03 0.09 0.06 0.06 210129 72 17 0.75 32 0.90 1.31 1.90 1.000 65_0066 8 0.03 -0.00 -0.02 0.06 0.03 0.08 184675 49 0 0.83 26 0.90 1.31 1.92 1.000 66_0067 5 0.05 -0.02 -0.01 0.09 0.03 0.12 73324 36 0 0.83 22 0.91 1.31 1.94 1.000 67_0068 8 0.11 0.01 0.00 0.18 0.11 0.13 122003 50 13 0.78 27 0.91 1.31 1.94 1.000 68_0069 5 0.09 0.02 0.03 0.18 0.05 0.07 150018 42 0 0.85 28 0.91 1.31 1.95 1.000 69_0070 6 0.03 -0.11 -0.03 0.24 0.16 0.05 121461 33 0 0.75 26 0.91 1.31 1.95 1.000 70_0071 5 0.02 -0.02 -0.05 0.06 0.06 0.08 61591 26 0 0.81 23 0.90 1.31 1.94 1.000 71_0072 7 0.05 -0.00 -0.02 0.21 0.06 0.08 107174 37 0 0.83 26 0.90 1.31 1.95 1.000 72_0073 5 0.01 -0.01 -0.06 0.07 0.04 0.10 144962 42 0 0.83 25 0.90 1.31 1.95 1.000 73_0074 4 -0.02 -0.02 -0.07 0.03 0.04 0.08 113014 35 0 0.84 23 0.90 1.31 1.95 1.000 74_0075 3 -0.20 -0.10 -0.00 0.22 0.19 0.08 105847 26 0 0.89 22 0.90 1.31 1.95 1.000 75_0076 4 0.09 0.05 -0.02 0.26 0.17 0.08 27379 16 0 0.81 47 0.90 1.30 1.95 1.000 76_0077 12 0.04 0.01 -0.05 0.06 0.05 0.07 82967 34 0 0.90 37 0.91 1.30 1.96 1.000 77_0078 8 0.06 -0.04 -0.00 0.19 0.11 0.09 83160 33 0 0.75 29 0.91 1.30 1.96 1.000 78_0079 5 0.02 0.00 -0.06 0.06 0.01 0.08 115892 42 0 0.85 27 0.91 1.30 1.96 1.000 79_0080 4 0.33 0.22 0.05 0.71 0.45 0.18 220038 45 25 0.69 41 0.91 1.30 1.96 1.000 Background pixels updated = 99.43% 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 0.03 0.06 0.00 0.12 0.17 0.09 180012 54 0 0.84 24 0.91 1.31 1.96 1.000 81_0082 5 -0.25 -0.17 -0.13 0.35 0.27 0.20 36627 17 20 0.75 32 0.91 1.30 1.97 1.000 82_0083 7 0.12 0.01 -0.02 0.18 0.13 0.07 133300 43 0 0.80 28 0.91 1.30 1.97 1.000 83_0084 7 -0.02 0.11 -0.07 0.19 0.20 0.13 52306 23 0 0.79 28 0.91 1.30 1.98 1.000 84_0085 4 0.20 0.10 0.04 0.27 0.24 0.08 41629 16 0 0.73 27 0.90 1.29 1.98 1.000 85_0086 8 0.14 0.06 0.02 0.23 0.25 0.11 418061 104 0 0.84 29 0.91 1.30 1.98 1.000 86_0087 11 0.04 -0.01 -0.04 0.11 0.06 0.06 134478 36 0 0.79 29 0.91 1.30 1.99 1.000 87_0088 6 0.00 0.05 -0.08 0.16 0.20 0.11 84733 25 0 0.82 26 0.90 1.30 2.00 1.000 88_0089 6 0.03 0.02 -0.02 0.14 0.09 0.08 111014 38 17 0.78 30 0.91 1.30 2.00 1.000 89_0090 4 0.00 0.02 -0.06 0.07 0.02 0.08 158812 54 0 0.87 28 0.91 1.30 2.00 1.000 90_0091 5 0.02 -0.00 0.01 0.14 0.02 0.05 47467 23 0 0.80 24 0.90 1.30 1.99 1.000 91_0092 5 0.33 -0.10 -0.01 0.74 0.24 0.10 139810 38 0 0.82 23 0.90 1.30 1.99 1.000 92_0093 9 0.04 -0.02 -0.03 0.10 0.05 0.05 98824 37 0 0.86 29 0.90 1.30 1.99 1.000 93_0094 5 0.16 -0.19 -0.00 0.42 0.41 0.13 178516 67 0 0.83 31 0.91 1.30 1.99 1.000 94_0095 8 -0.06 -0.04 -0.03 0.21 0.07 0.12 44134 22 0 0.84 28 0.91 1.30 1.98 1.000 95_0096 4 -0.13 0.10 0.11 0.21 0.24 0.42 58976 21 0 0.80 23 0.91 1.30 1.98 1.000 96_0097 8 -0.02 -0.02 -0.02 0.09 0.09 0.08 54049 22 0 0.83 28 0.90 1.29 1.98 1.000 97_0098 5 0.04 -0.01 -0.06 0.10 0.03 0.09 144945 41 0 0.84 27 0.90 1.29 1.98 1.000 98_0099 8 -0.02 0.06 -0.02 0.34 0.39 0.18 61291 22 13 0.71 27 0.90 1.29 1.98 1.000 99_0100 4 0.03 -0.03 0.00 0.08 0.03 0.09 63256 25 0 0.84 25 0.90 1.29 1.99 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 (496 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) 496 0 496 12.9322 1.3975 6.835 66.961 Orientation ('UB') matrix: 0.1439553 0.0358844 -0.0039805 0.0302840 -0.0025788 0.0770967 0.0658792 -0.0772269 -0.0044240 A B C Alpha Beta Gamma Vol 6.2477 11.7377 13.0232 90.000 96.775 90.000 948.37 0.0002 0.0004 0.0005 0.000 0.002 0.000 0.09 Corrected for goodness of fit: 0.0004 0.0007 0.0008 0.000 0.003 0.000 0.15 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.139 96.095 24.270 Goniometer zeros (deg): 0.0000* -0.0070 0.0000* -0.0543 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.4629 -0.5443 0.0797 -0.1995 -0.1168 0.7502 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.43566e+03 3.82514e+03 1.63 2 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 496 496 468 Average input ESD (pix, pix, deg): 0.19960 0.18037 0.08691 Goodness of fit: 2.02761 1.15464 1.55024 BG snapshot written to /smb/isengard/data/neal054/work/bg_snap_01_0001.sfrm I/Sigma = 84.99 Thresh = 0.020 Blend = F #Contributing = 147 InitialProfileWt = 0.000 Region 1 Sum = 38366.3; Maximum = 1250.76; FM = 0.944 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 1 0 0 0 0 0 2 6 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 11 9 2 0 0 0 1 7 24 37 26 6 1 0 0 0 0 0 0 0 0 0 0 0 1 2 8 14 13 4 0 0 0 2 10 29 46 39 12 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 5 2 0 0 0 1 5 15 22 16 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 10 13 6 1 0 0 0 1 3 11 14 6 1 0 0 0 1 2 7 10 5 1 0 0 0 3 14 45 61 37 9 1 0 0 4 20 59 73 39 10 1 0 0 3 17 50 59 30 8 1 0 1 5 26 59 79 60 18 2 0 1 9 43 86100 67 21 3 0 1 9 41 80 87 52 16 2 0 0 3 14 35 44 27 8 1 0 0 5 25 57 63 34 9 1 0 0 5 26 56 59 31 8 1 0 0 1 3 8 8 4 1 0 0 0 1 5 13 15 6 2 0 0 0 1 5 14 16 7 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 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 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 21 26 14 4 1 0 0 0 1 4 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 4 19 39 41 23 7 1 0 0 1 4 8 9 5 2 1 0 0 0 1 1 1 1 0 0 0 0 3 13 28 29 15 4 1 0 0 1 3 7 7 4 1 0 0 0 0 0 1 1 1 0 0 0 0 1 3 8 9 4 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 78.44 Thresh = 0.020 Blend = F #Contributing = 231 InitialProfileWt = 0.000 Region 2 Sum = 33293.9; Maximum = 1124.01; FM = 0.909 !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 1 1 0 0 0 0 0 2 4 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 4 7 6 2 1 0 0 1 4 14 25 18 6 2 0 0 0 0 1 1 1 1 0 0 0 0 3 9 11 8 4 1 0 0 1 10 31 38 27 12 3 0 0 0 0 1 1 1 0 0 0 0 0 2 6 8 6 3 1 0 0 1 6 20 26 19 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 3 6 5 2 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 1 2 5 6 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 109.72 Thresh = 0.020 Blend = F #Contributing = 75 InitialProfileWt = 0.000 Region 3 Sum = 65189.1; Maximum = 2481.02; FM = 0.932 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 3 2 0 0 0 1 3 6 9 10 5 1 0 0 0 0 1 1 1 0 0 0 0 1 2 5 6 5 2 1 0 0 2 8 17 21 20 10 2 0 0 0 0 1 1 0 0 0 0 0 0 1 4 5 3 1 0 0 0 1 5 14 21 14 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 4 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 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 4 6 4 1 0 0 0 0 1 3 6 5 1 0 0 0 2 8 20 30 28 13 3 0 0 2 11 38 57 45 18 4 0 0 1 9 35 53 41 15 3 0 0 5 21 48 60 56 29 7 1 1 6 32 79100 92 50 14 1 1 5 24 64 84 78 43 13 1 0 3 14 36 51 38 12 3 0 1 5 21 49 67 54 22 6 1 1 4 14 32 43 40 20 6 0 0 1 2 7 12 8 1 0 0 0 1 3 9 15 11 3 1 0 0 1 2 6 9 8 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 14 23 19 7 1 0 0 0 1 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 2 8 23 32 30 17 6 0 0 1 2 3 5 4 2 1 0 0 0 0 0 1 0 0 0 0 0 2 5 10 13 14 9 3 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 62.06 Thresh = 0.020 Blend = F #Contributing = 30 InitialProfileWt = 0.021 Region 4 Sum = 24917.5; Maximum = 970.694; FM = 0.943 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 1 4 10 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 4 2 0 0 0 0 2 10 22 21 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 14 22 17 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 8 12 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 9 22 19 7 2 0 0 0 2 9 22 16 5 2 0 0 0 1 4 10 7 2 1 0 0 1 6 29 59 50 17 4 1 0 1 8 41 76 57 18 4 1 0 1 6 27 47 31 9 2 0 0 2 15 47 69 50 16 3 0 0 4 27 76100 67 19 3 0 0 4 23 61 73 43 11 2 0 1 4 13 32 39 21 5 1 0 1 7 25 56 59 30 7 1 0 1 6 25 51 47 22 5 1 0 0 2 4 8 9 4 1 0 0 1 3 9 16 16 6 1 0 0 1 3 11 18 15 6 1 0 0 0 0 1 1 1 1 0 0 0 0 1 1 2 2 1 0 0 0 0 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 9 14 7 2 1 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 26 28 13 3 1 0 0 0 1 5 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 3 13 25 21 9 3 1 0 0 1 3 6 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 8 12 9 4 1 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 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 I/Sigma = 43.43 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.014 Region 5 Sum = 12503.8; Maximum = 440.562; FM = 0.934 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 6 6 2 0 0 0 0 1 7 16 15 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 10 13 5 0 0 0 0 2 11 29 35 15 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 8 3 0 0 0 0 2 9 22 23 10 2 0 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 1 3 7 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 3 1 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 1 2 1 1 0 0 0 1 8 20 20 7 1 0 0 0 1 6 18 21 8 2 1 0 0 1 3 10 14 6 2 0 0 0 3 16 45 57 28 5 1 0 1 3 17 53 77 44 11 1 0 0 2 9 36 61 38 10 1 0 0 3 19 46 55 34 11 2 0 1 4 26 73100 74 26 3 0 0 2 19 60 91 72 25 3 1 0 1 8 23 30 19 6 1 0 0 2 13 46 71 50 18 3 0 0 1 11 45 73 54 20 3 0 0 1 2 5 8 6 1 1 0 0 1 3 12 23 17 5 2 0 0 0 3 13 27 21 7 2 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 3 1 1 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: 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 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8 5 2 0 0 0 1 1 1 2 1 1 0 0 2 5 13 16 9 3 1 0 1 1 2 4 5 3 2 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 3 1 1 0 0 0 1 0 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 25.72 Thresh = 0.020 Blend = F #Contributing = 40 InitialProfileWt = 0.006 Region 7 Sum = 7147.14; Maximum = 232.631; FM = 0.93 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 1 0 0 0 0 2 7 17 18 10 3 0 0 0 0 0 0 0 0 0 0 0 0 2 5 10 9 4 1 0 0 0 5 20 41 42 22 6 1 0 0 0 0 0 0 0 0 0 0 0 1 3 10 10 4 1 1 1 0 4 15 37 39 19 4 1 1 0 0 0 0 0 0 0 0 0 0 -1 1 3 3 1 0 0 1 0 0 4 13 13 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 -1 -1 0 0 1 0 0 !Region 7: Section 4->6 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 1 1 0 0 1 0 2 2 1 1 1 0 0 0 0 1 2 2 2 2 0 1 1 2 6 11 9 3 0 0 0 1 2 8 18 17 6 2 1 0 0 1 6 16 17 7 3 1 0 3 13 39 52 36 13 3 1 0 2 12 46 74 59 24 6 1 0 1 7 31 58 52 23 8 2 1 8 36 75 87 61 21 5 0 0 6 33 76100 83 33 8 1 0 2 15 43 67 63 29 9 1 1 6 28 62 70 39 10 2 1 1 5 24 56 68 43 13 3 1 1 2 9 25 38 29 11 3 0 0 1 8 21 20 7 1 0 0 0 1 6 17 17 6 1 0 0 1 1 2 7 7 3 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 -1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 -1 0 1 2 3 2 0 0 0 -1 0 0 1 2 2 1 0 0 -1 0 0 0 1 1 0 0 -1 -1 2 9 11 6 3 1 0 0 -1 0 2 4 2 1 1 0 0 0 -1 0 0 0 0 1 0 0 2 12 26 26 13 7 2 0 0 0 2 6 7 5 2 1 0 0 0 0 0 0 0 0 0 0 1 3 13 27 28 16 7 1 0 0 0 2 6 8 5 3 0 0 0 0 0 0 0 0 0 0 0 0 1 6 12 13 7 3 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 -1 -1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 56.86 Thresh = 0.020 Blend = F #Contributing = 37 InitialProfileWt = 0.007 Region 8 Sum = 19323.1; Maximum = 712.289; FM = 0.954 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 1 3 12 17 10 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 6 10 8 2 0 0 0 1 6 22 38 30 8 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 8 3 0 0 0 1 4 13 26 28 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 1 4 6 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 2 1 1 0 0 0 0 1 2 2 2 1 0 0 0 1 2 7 10 6 2 1 0 0 1 5 13 19 10 2 1 0 0 1 5 14 18 10 3 1 0 0 1 10 35 50 30 8 1 0 0 2 18 57 76 45 13 2 0 0 3 17 49 59 35 12 2 0 0 2 18 53 78 62 19 2 0 0 3 29 74100 77 25 3 0 0 3 23 56 71 51 17 2 0 0 1 11 33 53 45 16 2 0 0 2 13 42 64 45 14 2 0 0 1 8 28 41 24 7 1 0 0 0 2 10 14 9 3 1 0 0 0 2 11 16 8 2 0 0 0 0 1 6 9 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 2 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 10 7 4 1 0 0 0 2 4 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 9 23 24 16 8 2 0 0 1 3 6 6 5 3 1 0 0 0 0 1 1 1 0 0 0 0 1 9 23 26 18 6 2 0 0 0 2 5 6 4 2 1 0 0 0 0 0 1 1 0 0 0 0 1 3 9 12 7 2 1 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 167.90 Thresh = 0.020 Blend = F #Contributing = 67 InitialProfileWt = 0.001 Region 9 Sum = 146625; Maximum = 5376.72; FM = 0.935 !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 1 0 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0 0 0 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 11 16 12 5 1 0 0 1 2 4 5 4 1 0 0 0 0 1 1 1 1 0 0 0 1 6 18 26 28 18 6 1 0 0 2 5 7 7 4 1 0 0 0 0 1 1 1 1 0 0 0 0 3 11 21 19 7 2 0 0 0 1 3 5 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 4 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 99.47% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 100_0101 7 0.00 -0.06 -0.06 0.08 0.10 0.09 121458 45 0 0.87 30 0.90 1.29 1.99 1.000 101_0102 2 -0.04 -0.02 -0.06 0.04 0.02 0.06 139294 44 0 0.79 23 0.90 1.29 1.99 1.000 102_0103 8 0.05 -0.03 -0.04 0.12 0.07 0.06 76148 26 0 0.85 25 0.90 1.29 1.99 1.000 103_0104 6 0.01 -0.04 0.03 0.10 0.09 0.08 101430 59 0 0.89 34 0.90 1.29 1.99 1.000 104_0105 5 -0.07 0.02 -0.20 0.28 0.37 0.26 54479 15 0 0.76 38 0.90 1.29 2.00 1.000 105_0106 7 -0.11 -0.02 0.01 0.15 0.08 0.10 90998 28 0 0.83 23 0.90 1.29 2.00 1.000 106_0107 6 -0.08 -0.04 0.01 0.23 0.12 0.07 67834 29 0 0.78 23 0.90 1.29 2.00 1.000 107_0108 8 0.03 -0.04 0.04 0.23 0.16 0.07 207196 44 0 0.77 30 0.90 1.29 2.00 1.000 108_0109 9 -0.13 -0.05 -0.02 0.20 0.16 0.12 53334 23 0 0.79 32 0.90 1.29 2.00 1.000 109_0110 5 -0.01 -0.03 -0.04 0.07 0.03 0.06 147874 42 0 0.82 23 0.90 1.29 2.00 1.000 110_0111 3 -0.19 -0.40 -0.17 0.32 0.54 0.25 32688 11 0 0.73 24 0.90 1.29 2.01 1.000 111_0112 7 0.06 -0.08 0.05 0.25 0.23 0.14 63613 33 29 0.79 26 0.90 1.29 2.01 1.000 112_0113 3 -0.17 -0.08 -0.06 0.63 0.24 0.08 47123 18 0 0.79 27 0.90 1.29 2.01 1.000 113_0114 7 0.02 -0.05 0.10 0.09 0.11 0.17 119600 26 0 0.83 27 0.90 1.29 2.01 1.000 114_0115 4 0.03 -0.02 -0.04 0.12 0.05 0.05 127524 32 0 0.73 22 0.90 1.29 2.00 1.000 115_0116 5 -0.01 0.02 -0.09 0.06 0.03 0.10 151325 47 0 0.85 25 0.90 1.29 2.00 1.000 116_0117 8 -0.01 -0.06 0.01 0.11 0.21 0.13 157807 41 13 0.79 24 0.90 1.29 2.01 1.000 117_0118 6 -0.15 0.01 -0.02 0.26 0.11 0.17 198316 54 0 0.87 32 0.90 1.29 2.01 1.000 118_0119 8 -0.02 -0.11 -0.04 0.23 0.14 0.09 133764 41 0 0.78 25 0.90 1.29 2.01 1.000 119_0120 6 0.04 -0.09 0.02 0.07 0.14 0.11 95409 32 0 0.85 24 0.90 1.29 2.01 1.000 Background pixels updated = 99.44% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 120_0121 6 -0.04 -0.04 -0.05 0.19 0.22 0.09 101465 46 0 0.84 31 0.90 1.29 2.01 1.000 121_0122 3 -0.03 0.02 0.10 0.25 0.08 0.20 56357 17 33 0.64 24 0.90 1.29 2.01 1.000 122_0123 5 -0.09 0.00 -0.07 0.23 0.03 0.13 33188 22 0 0.82 25 0.90 1.29 2.01 1.000 123_0124 9 -0.03 -0.00 -0.04 0.09 0.03 0.05 113300 38 0 0.85 27 0.90 1.29 2.01 1.000 124_0125 6 -0.14 -0.19 -0.08 0.35 0.26 0.11 121693 39 17 0.83 31 0.90 1.29 2.01 1.000 125_0126 8 0.04 -0.03 -0.04 0.19 0.14 0.11 106361 33 0 0.86 23 0.90 1.29 2.01 1.000 126_0127 8 -0.05 -0.04 -0.03 0.09 0.11 0.15 67031 28 0 0.77 36 0.90 1.29 2.01 1.000 127_0128 10 0.03 0.03 -0.02 0.29 0.33 0.21 50888 22 0 0.77 25 0.90 1.29 2.01 1.000 128_0129 8 -0.15 -0.08 -0.08 0.24 0.23 0.10 93882 30 0 0.85 31 0.90 1.29 2.01 1.000 129_0130 1 -0.09 0.01 -0.04 0.09 0.01 0.04 82811 53 0 0.83 20 0.90 1.29 2.00 1.000 130_0131 6 0.09 -0.16 0.04 0.30 0.36 0.10 99897 32 17 0.78 28 0.90 1.29 2.00 1.000 131_0132 6 0.13 -0.20 0.03 0.54 0.27 0.17 90923 26 0 0.72 26 0.90 1.29 2.01 1.000 132_0133 7 0.01 -0.01 -0.05 0.07 0.06 0.09 226613 56 0 0.82 26 0.90 1.29 2.01 1.000 133_0134 6 -0.03 -0.02 -0.04 0.09 0.09 0.06 88613 27 0 0.81 21 0.90 1.29 2.01 1.000 134_0135 4 0.01 0.02 0.05 0.05 0.04 0.12 87251 48 0 0.83 38 0.90 1.29 2.01 1.000 135_0136 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.90 1.29 2.01 1.000 136_0137 6 -0.04 0.01 0.02 0.28 0.13 0.15 147337 43 17 0.70 31 0.90 1.29 2.01 1.000 137_0138 2 0.01 -0.11 -0.08 0.05 0.12 0.09 57155 24 0 0.71 23 0.90 1.29 2.02 1.000 138_0139 8 -0.31 -0.14 -0.10 0.90 0.29 0.14 90940 30 0 0.82 24 0.90 1.29 2.02 1.000 139_0140 8 -0.05 0.00 -0.07 0.20 0.10 0.09 98377 39 13 0.80 28 0.90 1.29 2.01 1.000 Background pixels updated = 99.47% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 140_0141 4 -0.08 -0.07 -0.02 0.10 0.13 0.11 95255 27 0 0.72 22 0.90 1.29 2.01 1.000 141_0142 8 -0.04 -0.07 -0.07 0.14 0.14 0.13 98632 30 0 0.79 26 0.90 1.29 2.01 1.000 142_0143 8 0.05 -0.00 0.05 0.13 0.07 0.10 227406 62 0 0.83 28 0.90 1.29 2.01 1.000 143_0144 9 -0.14 -0.13 -0.03 0.30 0.24 0.10 54809 17 0 0.75 27 0.90 1.29 2.01 1.000 144_0145 6 -0.04 -0.01 -0.01 0.07 0.17 0.11 135869 33 17 0.73 27 0.90 1.29 2.01 1.000 145_0146 5 0.04 0.07 0.01 0.14 0.19 0.11 168858 44 0 0.88 27 0.90 1.29 2.01 1.000 146_0147 4 -0.12 -0.09 -0.15 0.17 0.18 0.34 58212 21 0 0.83 25 0.90 1.29 2.02 1.000 147_0148 9 -0.12 -0.08 -0.06 0.23 0.15 0.08 65897 27 0 0.79 25 0.90 1.29 2.02 1.000 148_0149 6 0.03 0.02 0.01 0.08 0.12 0.11 61517 24 0 0.80 31 0.90 1.29 2.02 1.000 149_0150 15 -0.01 -0.08 -0.00 0.12 0.16 0.08 94003 39 0 0.80 26 0.90 1.29 2.02 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 (512 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) 512 0 512 8.6915 1.3974 10.177 66.964 Orientation ('UB') matrix: 0.1440785 0.0357724 -0.0039392 0.0301484 -0.0025744 0.0771162 0.0657030 -0.0772632 -0.0043934 A B C Alpha Beta Gamma Vol 6.2471 11.7396 13.0203 90.000 96.766 90.000 948.24 0.0002 0.0004 0.0005 0.000 0.002 0.000 0.09 Corrected for goodness of fit: 0.0004 0.0007 0.0009 0.000 0.004 0.000 0.16 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.103 96.059 24.198 Goniometer zeros (deg): 0.0000* -0.0101 0.0000* -0.0893 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.4410 -0.5460 0.0785 -0.2066 -0.1574 0.7385 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.55796e+03 4.32138e+03 1.70 3 3 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 512 512 488 Average input ESD (pix, pix, deg): 0.20048 0.18069 0.21646 Goodness of fit: 2.13576 1.49489 1.31335 Background pixels updated = 99.52% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 150_0151 8 0.08 0.09 -0.02 0.27 0.23 0.11 110531 32 13 0.74 28 0.90 1.29 2.01 1.000 151_0152 3 0.04 0.01 0.03 0.04 0.06 0.04 115230 41 0 0.89 22 0.90 1.29 2.01 1.000 152_0153 5 -0.12 0.07 -0.07 0.15 0.11 0.08 161485 72 0 0.85 31 0.90 1.29 2.01 1.000 153_0154 4 0.00 -0.04 -0.03 0.06 0.11 0.12 195429 66 0 0.94 48 0.90 1.29 2.01 1.000 154_0155 5 0.07 0.05 0.02 0.21 0.18 0.11 270467 51 20 0.70 24 0.90 1.29 2.01 1.000 155_0156 1 -0.07 0.12 -0.08 0.07 0.12 0.08 50584 16 0 0.40 27 0.90 1.29 2.01 1.000 156_0157 4 -0.05 -0.06 -0.05 0.10 0.10 0.13 109358 32 25 0.81 22 0.90 1.29 2.01 1.000 157_0158 7 0.05 0.07 0.02 0.39 0.18 0.15 155642 51 0 0.81 29 0.90 1.30 2.01 1.000 158_0159 3 -0.08 0.04 0.01 0.11 0.08 0.03 71199 21 0 0.84 25 0.90 1.30 2.01 1.000 159_0160 11 0.02 0.05 0.00 0.27 0.19 0.11 105163 27 9 0.72 25 0.90 1.30 2.01 1.000 Background pixels updated = 99.53% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 160_0161 4 0.01 0.06 -0.02 0.05 0.11 0.05 44171 33 0 0.86 33 0.90 1.30 2.01 1.000 161_0162 10 0.02 -0.06 0.07 0.12 0.09 0.11 81455 30 10 0.77 38 0.90 1.30 2.01 1.000 162_0163 4 -0.14 -0.11 0.00 0.30 0.32 0.04 124232 46 0 0.82 24 0.90 1.30 2.01 1.000 163_0164 4 -0.08 -0.02 -0.05 0.11 0.09 0.07 87907 32 0 0.69 25 0.90 1.30 2.01 1.000 164_0165 5 -0.27 0.14 -0.14 0.45 0.57 0.16 84360 23 0 0.77 28 0.90 1.30 2.01 1.000 165_0166 5 -0.17 0.01 0.04 0.34 0.06 0.06 86760 32 0 0.81 21 0.90 1.30 2.01 1.000 166_0167 5 -0.07 0.05 -0.02 0.13 0.15 0.05 48579 21 20 0.72 24 0.90 1.30 2.01 1.000 167_0168 11 -0.06 0.10 -0.02 0.13 0.16 0.08 96510 29 9 0.74 27 0.90 1.30 2.01 1.000 168_0169 4 -0.05 -0.05 0.01 0.06 0.07 0.03 75924 35 0 0.87 25 0.90 1.30 2.01 1.000 169_0170 7 -0.01 0.01 -0.01 0.07 0.15 0.04 135784 42 14 0.79 29 0.90 1.30 2.01 1.000 170_0171 7 -0.03 0.02 0.07 0.29 0.13 0.19 75811 30 14 0.69 24 0.90 1.30 2.02 1.000 171_0172 5 -0.07 0.01 -0.00 0.10 0.10 0.05 159927 53 0 0.91 36 0.90 1.30 2.02 1.000 172_0173 2 0.32 0.00 0.14 0.40 0.02 0.15 45673 27 0 0.73 23 0.90 1.30 2.02 1.000 173_0174 9 0.06 -0.06 0.03 0.21 0.15 0.07 78569 24 0 0.82 23 0.90 1.30 2.02 1.000 174_0175 5 0.02 0.16 0.06 0.19 0.30 0.12 64088 26 0 0.81 34 0.90 1.30 2.02 1.000 175_0176 9 -0.08 0.05 -0.05 0.13 0.11 0.11 108485 31 0 0.76 24 0.90 1.30 2.02 1.000 176_0177 6 -0.03 -0.02 -0.03 0.07 0.11 0.08 128509 45 0 0.81 29 0.90 1.30 2.02 1.000 177_0178 1 -0.37 0.08 -0.22 0.37 0.08 0.22 7131.7 5 0 0.71 22 0.90 1.30 2.01 1.000 178_0179 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 13 0.90 1.30 2.01 1.000 179_0180 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 15 0.90 1.30 2.01 1.000 Requested number of frames processed: /smb/isengard/data/neal054/fastscan_01_0180.sfrm I/Sigma = 116.39 Thresh = 0.020 Blend = F #Contributing = 228 InitialProfileWt = 0.000 Region 1 Sum = 49795.6; Maximum = 1301.06; FM = 0.934 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 1 3 11 13 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 9 14 10 3 0 0 0 1 8 32 49 33 9 1 0 0 0 0 0 0 0 0 0 0 0 0 2 9 20 18 6 1 0 0 2 10 36 69 59 21 2 0 0 0 0 0 0 0 0 0 0 0 0 1 6 10 8 2 0 0 0 1 5 22 36 26 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 5 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: 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 2 2 1 0 0 0 0 0 1 2 3 1 1 0 0 0 0 1 1 2 1 1 0 0 0 1 4 16 19 10 2 1 0 0 1 4 16 22 11 3 1 0 0 1 4 14 20 10 2 1 0 0 2 14 51 72 46 13 2 0 0 3 22 61 77 44 12 2 0 0 4 26 63 72 38 10 2 0 0 4 20 58 98 79 29 3 0 1 8 41 81100 72 25 3 0 1 11 57 96 96 61 21 3 0 0 2 11 35 53 36 11 1 0 0 4 21 51 63 40 13 2 0 0 5 31 64 68 41 13 2 0 0 1 2 8 9 5 1 0 0 0 1 3 10 14 7 2 1 0 0 1 4 13 17 10 3 1 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 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 0 0 0 0 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 11 6 2 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 16 36 39 21 6 1 0 0 1 3 8 8 5 2 0 0 0 0 0 1 1 1 0 0 0 0 7 36 58 55 34 12 2 0 0 2 8 13 13 8 3 1 0 0 0 1 1 2 1 1 0 0 0 3 20 41 42 25 8 2 0 0 1 5 10 11 7 3 1 0 0 0 1 1 2 1 1 0 0 0 1 3 9 11 7 2 1 0 0 0 1 3 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 85.92 Thresh = 0.020 Blend = F #Contributing = 366 InitialProfileWt = 0.000 Region 2 Sum = 37973.9; Maximum = 1246.74; FM = 0.964 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 2 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 3 13 26 20 9 2 0 0 0 0 1 1 1 0 0 0 0 0 2 5 6 5 2 1 0 0 1 10 29 37 26 11 2 0 0 0 0 0 1 0 0 0 0 0 0 1 3 4 3 2 0 0 0 1 6 19 26 18 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 5 9 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 4 10 10 4 1 0 0 0 1 5 12 10 4 1 0 0 0 1 5 11 9 4 1 0 0 1 6 30 60 46 18 4 1 0 1 8 37 70 55 22 4 0 0 1 7 28 49 42 19 5 1 0 2 22 64 85 63 26 5 0 0 4 28 74100 79 35 7 0 0 3 20 51 72 64 32 8 1 0 2 15 44 59 41 15 2 0 0 3 20 54 69 50 19 3 0 0 3 17 39 53 40 16 3 0 0 1 3 11 19 13 4 1 0 0 1 4 15 23 14 4 1 0 0 1 5 13 17 9 2 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 3 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 6 3 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 12 22 23 13 4 1 0 0 1 2 5 7 5 2 0 0 0 0 0 0 0 0 0 0 0 2 8 20 33 36 20 6 0 0 0 1 3 8 10 6 2 0 0 0 0 0 0 0 0 0 0 0 2 7 16 26 21 9 2 0 0 0 1 2 6 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 8 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 I/Sigma = 94.64 Thresh = 0.020 Blend = F #Contributing = 113 InitialProfileWt = 0.000 Region 3 Sum = 49929; Maximum = 2106.22; FM = 0.942 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 2 5 9 10 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 2 8 17 18 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 1 5 12 15 9 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 3 2 1 0 0 1 2 5 7 4 2 1 0 0 0 1 3 5 4 1 0 0 0 2 9 25 31 20 9 2 0 0 2 12 39 51 31 12 3 1 0 1 9 31 43 25 8 2 0 1 5 21 53 65 44 17 3 0 1 7 33 80100 70 28 5 1 1 6 26 58 74 54 22 5 1 1 4 16 39 49 33 12 2 0 1 7 24 53 67 50 21 4 0 1 6 18 34 42 36 18 5 1 0 1 3 8 12 8 3 1 0 0 2 5 11 16 13 6 2 0 0 1 4 7 11 11 5 2 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 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 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 11 16 9 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 9 18 25 21 9 3 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 2 5 9 13 13 8 3 1 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 66.99 Thresh = 0.020 Blend = F #Contributing = 47 InitialProfileWt = 0.003 Region 4 Sum = 24967.6; Maximum = 1024.99; FM = 0.95 !Region 4: 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 1 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 1 1 0 0 0 0 1 4 8 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 3 10 15 13 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 4 11 16 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 6 8 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 0 0 0 0 0 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 3 2 1 0 0 0 0 1 4 3 1 1 0 0 0 0 1 2 2 1 0 0 0 0 2 11 21 15 6 2 0 0 0 2 14 26 18 7 2 0 0 0 1 7 14 10 4 1 0 0 1 8 33 51 37 14 3 0 0 1 12 49 75 52 19 4 0 0 1 7 30 48 32 12 3 0 0 2 15 46 62 41 14 2 0 0 4 27 78100 64 21 3 0 0 3 20 57 70 43 14 3 0 1 3 10 28 36 20 5 1 0 1 5 20 52 63 33 8 1 0 1 4 19 43 47 24 6 1 0 0 2 4 7 8 4 1 0 0 1 3 7 15 16 7 2 1 0 1 3 8 14 14 6 2 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 2 1 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 7 12 8 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 19 22 13 4 1 0 0 0 1 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 9 19 18 9 3 1 0 0 0 2 5 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 8 4 1 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 34.18 Thresh = 0.020 Blend = F #Contributing = 58 InitialProfileWt = 0.001 Region 5 Sum = 9755.18; Maximum = 343.977; FM = 0.943 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 2 4 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 4 3 1 1 0 0 0 1 6 12 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 7 6 2 1 0 0 0 2 10 20 18 7 2 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 4 2 1 0 0 0 2 7 17 14 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 1 3 5 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 5: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 2 6 6 3 1 0 0 0 1 2 6 8 5 2 1 0 0 0 1 3 5 4 2 1 0 0 1 8 24 24 11 3 1 0 0 1 7 30 34 18 6 1 0 0 0 3 16 22 14 5 1 0 0 2 18 47 50 27 8 1 0 0 3 21 66 81 52 16 3 0 0 1 11 39 59 44 15 3 0 0 2 16 46 53 34 11 2 0 0 2 22 74100 73 25 4 1 0 1 13 50 81 65 24 5 1 0 1 7 21 31 21 6 1 0 0 1 10 39 67 50 16 3 1 0 0 7 30 58 49 18 4 1 0 0 2 6 9 6 1 0 0 0 0 4 12 20 16 5 1 0 0 0 3 10 20 18 7 2 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 3 1 1 0 0 0 1 3 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 !Region 5: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 7 17 16 7 2 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 1 0 0 0 0 3 13 28 26 11 3 1 0 0 0 1 5 5 3 1 0 0 0 0 0 0 0 1 0 0 0 0 2 11 23 23 10 3 0 0 0 0 2 5 6 4 2 0 0 0 0 0 1 1 1 0 0 0 0 1 5 11 12 6 2 0 0 0 0 2 4 5 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 3 4 4 2 1 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.10 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.005 Region 6 Sum = 7683.3; Maximum = 211.063; FM = 0.933 !Region 6: 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 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 1 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 0 2 11 14 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 7 2 0 1 0 1 7 26 41 29 10 2 1 0 0 0 0 0 0 0 0 0 0 0 1 7 12 9 2 0 1 0 0 8 29 49 40 15 4 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 5 1 0 1 0 0 3 15 28 23 9 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 7 5 2 0 -1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 -1 0 0 1 1 1 2 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 !Region 6: Section 4->6 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 1 2 5 5 2 0 -1 -1 0 0 1 4 7 5 2 0 -1 0 0 0 2 5 5 3 0 0 0 3 15 23 22 11 2 0 0 0 1 8 19 30 21 8 1 0 0 0 2 9 23 21 10 2 0 1 9 40 68 62 33 11 2 0 0 5 27 61 80 60 25 4 0 0 1 8 33 64 58 28 7 1 1 13 48 81 80 45 16 3 0 1 8 35 73100 80 37 8 1 1 3 13 44 81 80 44 11 2 1 5 24 46 48 29 9 2 0 1 3 17 40 62 56 25 6 1 1 1 6 22 51 58 34 11 3 0 1 4 11 11 8 2 0 0 0 0 3 10 16 16 7 2 1 0 0 1 5 14 17 11 4 1 0 0 1 3 2 1 0 0 -1 0 0 1 2 3 2 1 0 0 0 1 0 1 3 3 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 !Region 6: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 3 9 10 5 3 1 0 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 1 10 26 27 16 6 1 0 0 0 1 4 4 4 3 1 0 0 0 0 0 0 0 1 0 0 1 3 16 35 40 26 9 2 0 0 0 2 6 8 7 4 1 0 0 0 0 0 1 1 1 0 0 1 1 8 22 31 23 10 3 0 0 0 1 4 7 7 4 2 0 0 0 0 0 1 1 1 0 0 0 1 2 6 9 9 4 1 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 1 0 0 1 1 0 0 2 2 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 I/Sigma = 44.84 Thresh = 0.020 Blend = F #Contributing = 66 InitialProfileWt = 0.000 Region 7 Sum = 12275; Maximum = 368.912; FM = 0.949 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 6 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 5 2 0 0 0 1 1 8 21 20 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 8 9 4 1 0 0 0 2 13 33 36 18 4 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 9 5 1 0 0 0 1 8 25 35 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 1 3 9 15 10 3 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 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 1 0 0 0 !Region 7: Section 4->6 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 2 3 3 2 0 0 0 0 1 2 4 7 5 1 0 0 0 0 1 3 7 6 2 0 0 0 1 4 13 18 11 3 1 0 0 1 4 19 37 26 7 1 0 0 0 3 17 37 27 10 2 0 0 2 15 44 53 33 11 2 1 0 2 16 57 88 65 24 5 1 0 1 10 44 80 63 27 7 1 0 4 25 64 76 50 18 4 0 0 4 25 72100 83 36 8 1 0 2 14 47 79 72 36 10 2 0 2 14 43 60 39 15 3 0 0 2 11 40 61 48 24 6 1 0 1 5 20 39 36 21 7 1 0 1 4 13 21 16 7 1 0 0 0 2 9 16 14 7 2 0 0 0 1 3 7 8 5 2 1 0 0 1 2 3 4 2 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 7->9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 8 18 14 7 2 0 0 0 0 2 4 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 3 18 37 30 16 6 1 0 0 0 3 7 7 5 3 1 0 0 0 0 0 1 1 0 0 0 0 4 15 33 31 18 8 2 0 0 0 2 6 7 5 3 1 0 0 0 0 0 1 1 0 0 0 0 1 5 13 15 11 5 1 0 0 0 0 2 4 3 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 3 3 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 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 52.26 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.001 Region 8 Sum = 17012.8; Maximum = 602.795; FM = 0.945 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 0 1 6 19 25 11 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 8 6 2 0 0 0 2 8 25 43 31 10 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 5 2 1 0 0 1 4 11 25 26 13 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 2 1 1 0 0 0 1 2 3 2 2 1 0 0 0 2 5 11 12 5 1 1 0 0 2 8 17 17 7 2 1 0 0 2 8 16 15 8 3 1 0 1 3 16 47 58 28 7 2 0 1 5 26 62 69 35 12 3 0 1 5 24 49 47 26 12 4 1 0 3 22 61 91 66 25 5 1 0 5 31 75100 71 29 8 1 0 4 23 52 64 44 20 6 1 0 2 9 31 55 50 25 7 1 0 2 12 37 60 47 23 7 1 0 1 7 23 34 24 12 4 1 0 0 2 7 13 11 7 3 1 0 1 2 7 13 10 6 3 1 0 0 1 4 6 5 3 2 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 9 6 3 1 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 12 23 21 13 8 3 1 0 0 3 5 5 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 9 21 25 17 9 3 1 0 0 1 4 5 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 11 8 4 2 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 = 74.72 Thresh = 0.020 Blend = F #Contributing = 101 InitialProfileWt = 0.000 Region 9 Sum = 33030; Maximum = 1351.11; FM = 0.929 !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 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 3 10 13 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 2 8 16 17 11 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 0 0 0 2 5 9 9 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 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 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 4 7 7 4 2 0 0 0 2 5 10 11 8 4 1 0 0 1 4 8 10 7 4 1 0 2 8 28 45 38 18 5 1 0 2 10 34 60 61 35 13 2 0 2 6 18 35 41 30 16 4 1 5 24 54 67 50 21 5 0 1 6 31 74100 84 41 10 1 1 4 18 43 63 60 36 12 1 1 4 14 33 38 23 8 1 0 1 4 20 50 60 38 13 2 0 0 3 11 31 42 30 11 2 0 0 1 3 8 9 4 1 0 0 0 1 4 11 13 6 1 0 0 0 1 2 7 8 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 6 5 3 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 11 15 14 10 2 0 0 1 1 3 4 4 3 1 0 0 0 0 0 0 0 0 0 0 1 5 10 18 21 17 7 1 0 0 1 2 4 5 4 2 0 0 0 0 0 0 0 0 0 0 0 1 3 7 13 13 5 1 0 0 0 1 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 2 Total topped/rescanned pixels: 11 Minimum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Maximum pixel ceiling(frame): 163809(fastscan_01_0001.sfrm) Total spots predicted: 1448 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 341* Outside frame limits: 35* Spots exceeding frame queue size: 4* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 1* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 1066 Total spot components written: 1066 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 1066 Twin overlaps written: 0 Average Intensity: 105212.7 Average I/sigma: 40.548 % over "strong" threshold: 82.83 % less than 2 sigma: 3.56 % which spanned more than 1 frame: 78.99 Average X,Y,Z positional errors: 0.00 -0.01 -0.02 RMS X,Y,Z positional errors: 0.24 0.19 0.12 % X,Y,Z more than 0.5 pixel: 4.60 3.10 0.56 % X,Y,Z more than 1.0 pixel: 0.75 0.47 0.00 Avg % profile volume populated: 98.57 Avg % profile volume integrated: 21.23 Avg % profile missing I: 1.45 Avg % profile missing volume: 1.43 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 77.78 77.78 Max % intensity on XYZ boundaries: 3.93 1.41 1.57 Average spot-shape correlation: 0.775 RMS spot-shape correlation: 0.798 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.198 0.174 23 1.0 2.0 0.324 0.180 15 2.0 4.0 0.553 0.148 40 4.0 8.0 0.716 0.148 78 8.0 16.0 0.764 0.154 161 16.0 32.0 0.804 0.148 309 32.0 64.0 0.860 0.095 311 64.0 128.0 0.882 0.081 102 128.0 256.0 0.887 0.071 27 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): 20.100 Elapsed since INTEGRATE command (sec): 18.624 Integration time, this run (sec): 10.603 Time in unit-cell LS (sec): 0.067 Per-frame integration time (sec): 0.059 Integration completed normally ======================== 10/26/2021 10:22:13 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.0749060 will be applied to LS-fit intensities Number of spots read: 1066 Number of LS-fit intensities scaled: 165 Number rejected due to poor spot shape: 7 Number unwritable (I, sigma too large): 0 Number written: 1059 Sorting Reflection File ============================== 10/26/2021 10:22:13 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_01.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... 1059 spot components in 1059 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 1059 spot components in 1059 spots written to file /smb/isengard/data/neal054/work/neal054_01.raw Computing Reflection File Statistics ========== 10/26/2021 10:22:13 Integration of neal054 ................................................................................... Statistics for reflections in neal054_01.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 1059 Number of reflection records read = 1059 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 1059 Number of spot components used = 1059 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_01.raw Lattice: P (Primitive) Point group "2/m(B-unique)", #3 (internal number) 4 symmetry operators 1 0 0 -1 0 0 -1 0 0 1 0 0 0 1 0 0 1 0 0-1 0 0-1 0 0 0 1 0 0-1 0 0-1 0 0 1 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents. Components in the sample map (* marks current component) Component Wanted A B C Alpha Beta Gamma PointGp Constraints 1.1(1)* Y 6.247 11.740 13.020 90.000 96.766 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28 13 27 16 3.6 45435.282 12.45 10.51 0.110 0.016 1.2 0.084 0.261 2.35 .30-.07 .06 .77 .42 .17 32.000 54 46 50 54 5.6 51158.569 15.76 10.57 0.092 0.044 1.4 0.053 0.166 2.04 .01-.08-.04 .32 .25 .19 64.000 63 49 55 61 3.2 62882.792 21.27 10.57 0.082 0.043 1.6 0.058 0.155 1.95-.03-.07-.02 .22 .25 .17 96.000 80 68 70 80 3.8 83470.464 29.82 10.55 0.095 0.056 2.5 0.054 0.171 2.24-.03-.07 .00 .10 .15 .09 128.000 94 72 77 92 4.3 105214.34 38.87 10.75 0.085 0.016 3.0 0.054 0.161 1.92 .00-.04-.00 .07 .13 .08 160.000 104 90 93 103 0.0 120162.57 48.62 10.89 0.090 0.018 4.0 0.054 0.149 1.94 .04-.05 .00 .07 .10 .08 192.000 78 66 67 78 0.0 177398.48 81.44 11.24 0.088 -0.024 6.6 0.069 0.140 1.87 .07-.02 .02 .09 .06 .09 224.000 36 30 31 36 2.8 177144.17 121.70 11.61 0.101 -0.033 10.9 0.054 0.190 2.62 .07 .00 .02 .10 .04 .11 256.000 31 26 28 30 3.2 143529.10 109.80 11.48 0.100 0.005 9.2 0.038 0.206 3.12-.09-.00-.01 .10 .05 .12 288.000 77 66 68 76 0.0 183075.00 84.45 11.11 0.074 0.013 5.8 0.050 0.139 1.88-.07 .02-.04 .08 .05 .08 320.000 100 84 86 100 1.0 127714.95 51.76 10.74 0.087 -0.015 4.3 0.067 0.149 1.77-.03 .02-.04 .07 .06 .08 352.000 93 77 80 92 6.5 91702.131 37.40 10.57 0.090 -0.005 3.2 0.063 0.173 2.09-.00 .04-.05 .09 .10 .11 384.000 82 69 72 82 7.3 88101.523 31.23 10.55 0.086 -0.023 2.4 0.062 0.165 2.08 .01 .06-.02 .15 .26 .12 416.000 56 49 51 56 3.6 55145.384 20.11 10.55 0.099 -0.059 1.7 0.038 0.194 2.11-.02 .05-.06 .23 .22 .18 448.000 50 42 46 50 4.0 49838.676 16.12 10.58 0.129 -0.047 2.0 0.071 0.170 1.56 .03 .02-.01 .32 .30 .11 480.000 33 24 30 30 18.2 42326.761 12.71 10.51 0.109 -0.024 1.3 0.059 0.209 2.23-.16-.00 .00 .77 .43 .18 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 30 19 23 28 3.3 47631.530 17.19 10.50 0.157 -0.106 2.7 0.082 0.260 2.11-.02 .19-.01 .44 .62 .17 32.000 74 57 60 71 6.8 74045.523 28.92 10.58 0.107 -0.048 3.5 0.084 0.163 1.35-.06-.00-.05 .22 .26 .13 64.000 97 80 81 96 3.1 81284.698 32.84 10.65 0.099 -0.029 3.3 0.059 0.169 2.17-.04-.04-.02 .20 .15 .13 96.000 128 106 107 127 3.1 103250.96 41.53 10.75 0.095 -0.028 4.0 0.067 0.148 1.72-.01 .00-.03 .18 .09 .15 128.000 163 135 142 161 3.1 137994.66 50.70 10.90 0.085 0.009 4.6 0.050 0.145 2.29-.02-.01-.03 .21 .06 .10 160.000 149 93 104 146 2.7 131338.30 48.86 11.01 0.074 0.024 3.4 0.045 0.131 2.22 .01-.01-.01 .16 .06 .10 192.000 139 118 121 138 2.2 117497.09 45.71 10.88 0.089 0.006 4.2 0.047 0.163 2.15-.00-.01-.01 .29 .10 .09 224.000 117 93 98 112 6.0 113522.42 40.12 10.73 0.084 0.009 3.5 0.064 0.149 1.71 .04-.01-.00 .23 .12 .10 256.000 86 68 69 85 3.5 71140.312 30.87 10.62 0.096 0.022 3.0 0.061 0.183 2.58 .07-.01 .01 .33 .25 .13 288.000 60 43 47 58 3.3 76020.273 29.96 10.62 0.104 -0.002 3.4 0.072 0.157 1.74 .05-.05-.00 .22 .28 .12 320.000 16 11 13 14 6.2 59837.094 24.43 10.76 0.117 0.013 2.7 0.096 0.201 1.38 .05-.15 .03 .26 .47 .14 352.000 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_01.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4 3 3 4 25.0 299748.65 161.89 11.21 0.043 -0.040 5.1 0.048 0.061 1.13-.03-.01 .09 .13 .06 .20 30.000 47 33 33 47 0.0 136739.48 81.36 11.07 0.118 -0.004 8.7 0.064 0.210 2.36 .00 .02 .01 .08 .06 .09 60.000 101 80 83 99 0.0 173019.81 75.28 11.18 0.073 0.006 5.0 0.057 0.121 1.84 .00 .01-.01 .07 .05 .08 90.000 147 110 113 147 3.4 136983.44 57.16 11.05 0.084 0.016 4.9 0.049 0.169 2.61 .01-.00-.02 .08 .09 .09 120.000 162 127 132 159 3.1 134501.11 51.33 10.84 0.085 -0.001 4.2 0.053 0.140 1.97 .02-.02-.00 .09 .11 .08 150.000 174 124 127 174 4.6 98881.050 38.32 10.67 0.086 0.014 3.3 0.054 0.150 2.07 .01 .00-.01 .13 .14 .10 180.000 153 111 116 152 2.6 73007.915 27.66 10.62 0.100 -0.012 2.7 0.068 0.167 1.86-.02-.04-.02 .17 .16 .14 210.000 122 94 98 119 4.9 66700.437 24.20 10.57 0.111 -0.021 2.6 0.072 0.179 1.66 .02-.01-.04 .29 .21 .14 240.000 91 65 76 83 4.4 58020.266 18.29 10.53 0.099 -0.032 1.9 0.068 0.190 1.90-.02-.06-.01 .54 .26 .18 270.000 58 38 46 52 8.6 43158.219 13.90 10.51 0.128 -0.035 1.7 0.076 0.198 2.26-.07 .09-.02 .46 .52 .18 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 78 66 73 73 3.8 72238.274 30.09 10.69 0.106 0.059 3.4 0.082 0.178 1.60 .06-.14 .05 .33 .34 .14 2.000 84 81 83 84 3.6 71453.468 29.66 10.58 0.095 -0.033 2.9 0.061 0.177 2.40 .06 .05-.03 .24 .24 .11 3.000 459 279 308 447 2.4 112507.07 41.84 10.85 0.089 0.004 3.9 0.055 0.149 2.08 .03-.03-.01 .21 .13 .12 4.000 438 303 325 432 4.8 109691.92 42.55 10.76 0.087 -0.007 3.8 0.056 0.156 1.95-.05 .03-.04 .25 .19 .12 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 162 114 117 160 0.6 161266.08 77.02 11.15 0.084 0.004 6.1 0.059 0.143 2.15 .01 .01-.00 .07 .06 .09 2.000 128 100 106 127 6.2 68690.490 24.02 10.54 0.079 -0.016 1.8 0.048 0.162 2.50 .02 .02-.02 .37 .21 .12 3.000 13 13 13 13 7.7 65625.605 29.81 10.64 0.099 -0.048 2.4 0.092 0.142 1.37 .06 .06-.05 .09 .21 .12 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 12 10 12 10 0.0 83851.391 32.48 10.75 0.089 0.083 2.9 0.066 0.139 0.95 .01-.28 .07 .10 .36 .11 6.000 126 107 121 117 5.6 71578.001 23.82 10.64 0.107 0.058 2.5 0.060 0.193 1.76 .09-.08 .01 .37 .26 .12 7.000 266 184 202 260 2.3 96348.725 34.82 10.72 0.080 0.011 2.6 0.052 0.143 2.28-.01-.04-.02 .19 .15 .13 8.000 86 66 66 86 1.2 141636.53 79.76 11.13 0.107 -0.040 8.4 0.053 0.177 2.22 .01-.02-.02 .09 .06 .10 9.000 266 229 244 263 5.3 104200.44 38.44 10.68 0.092 -0.012 3.4 0.067 0.162 1.93-.05 .04-.04 .22 .23 .13 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.150 57 49 57 55 3.5 96197.275 36.98 10.78 0.100 -0.013 4.1 0.079 0.177 1.50-.04 .03 .03 .19 .29 .13 10.891 58 54 57 58 1.7 95286.821 39.50 10.75 0.127 -0.058 5.4 0.080 0.212 2.03-.02 .03-.00 .15 .13 .09 19.632 53 46 52 52 1.9 82607.215 33.05 10.74 0.108 0.002 4.1 0.048 0.208 3.42-.02 .01-.03 .24 .27 .15 28.373 47 42 46 44 4.3 107057.28 38.94 10.78 0.092 0.009 3.5 0.066 0.122 1.29 .05-.04-.00 .18 .17 .10 37.114 59 55 59 57 6.8 107260.85 42.66 10.74 0.085 -0.008 3.5 0.063 0.169 1.88 .02-.01-.02 .14 .17 .12 45.855 46 43 45 44 4.3 94347.315 36.93 10.72 0.096 -0.001 3.3 0.046 0.156 1.93 .05 .01-.03 .36 .23 .11 54.596 57 50 56 53 3.5 95208.690 36.79 10.83 0.114 -0.005 4.2 0.053 0.188 2.30 .10-.02-.05 .30 .14 .14 63.337 54 48 49 53 3.7 126478.96 46.20 10.80 0.089 0.023 4.3 0.032 0.162 2.29 .07-.01-.02 .18 .08 .09 72.078 51 44 44 51 2.0 113348.83 43.23 10.77 0.074 0.018 3.1 0.052 0.147 2.00 .02 .01-.03 .26 .17 .10 80.819 54 39 41 52 3.7 149192.70 52.49 10.81 0.066 -0.005 3.3 0.034 0.141 2.92 .05 .03-.04 .17 .18 .10 89.560 53 44 45 52 1.9 92003.692 36.64 10.84 0.103 -0.020 4.6 0.040 0.190 2.58 .02-.01-.02 .32 .22 .16 98.301 51 45 46 50 0.0 81226.721 33.91 10.74 0.104 0.000 4.0 0.044 0.202 1.89-.01-.03-.02 .16 .15 .11 107.042 52 49 51 51 5.8 110369.22 40.33 10.76 0.072 0.001 3.0 0.038 0.130 2.02-.03-.07-.01 .24 .21 .13 115.783 54 52 52 54 3.7 121929.90 45.80 10.83 0.066 -0.011 3.4 0.040 0.130 2.12-.05-.05-.03 .21 .14 .12 124.524 60 55 58 59 1.7 99969.068 38.79 10.74 0.085 -0.009 3.1 0.056 0.149 1.62 .00-.05-.02 .26 .23 .14 133.265 42 39 41 42 4.8 121046.10 44.27 10.81 0.080 -0.006 3.6 0.058 0.138 1.94-.08-.05-.04 .42 .16 .12 142.006 68 63 66 67 2.9 94089.141 36.89 10.75 0.087 -0.015 3.3 0.072 0.144 1.64-.03-.03-.02 .19 .18 .12 150.747 42 39 41 42 7.1 147088.80 50.76 10.75 0.087 0.039 4.3 0.058 0.153 2.32-.00 .04-.01 .23 .15 .11 159.488 50 44 50 49 6.0 80727.912 33.29 10.79 0.098 0.019 3.3 0.095 0.153 1.46-.08 .02-.01 .22 .23 .09 168.229 51 47 51 51 3.9 100077.80 40.01 10.80 0.084 0.041 3.1 0.080 0.177 2.21-.01 .01 .01 .19 .15 .11 176.970 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 48 41 48 47 4.2 91546.533 36.72 10.80 0.092 -0.025 4.0 0.079 0.175 1.47-.06 .03 .03 .19 .31 .13 10.000 65 60 64 64 1.5 101541.42 39.81 10.75 0.128 -0.043 5.4 0.080 0.207 1.95-.00 .03 .00 .15 .12 .09 20.000 59 51 58 57 1.7 78956.695 31.45 10.74 0.108 0.005 4.0 0.047 0.206 3.32-.01 .00-.03 .24 .26 .15 30.000 55 50 53 53 5.5 110833.17 41.59 10.77 0.100 0.014 3.9 0.071 0.142 1.54 .03-.03-.00 .16 .17 .11 40.000 68 57 62 65 4.4 108785.80 41.77 10.74 0.083 -0.016 3.3 0.059 0.151 1.66 .07 .00-.01 .29 .21 .11 50.000 57 52 54 56 3.5 98525.770 39.93 10.82 0.103 0.008 4.2 0.036 0.184 2.79 .01-.00-.06 .15 .12 .09 60.000 64 51 57 59 6.2 114387.23 41.12 10.79 0.095 0.005 4.1 0.040 0.176 2.23 .12-.01-.02 .31 .14 .15 70.000 56 51 51 56 0.0 103280.22 41.61 10.76 0.078 0.024 3.0 0.050 0.151 2.06 .02-.01-.04 .14 .09 .08 80.000 64 46 48 62 4.7 145554.73 50.81 10.81 0.068 -0.001 3.4 0.037 0.129 2.73 .05 .04-.03 .26 .21 .11 90.000 61 51 52 60 1.6 85469.667 34.53 10.81 0.102 -0.022 4.2 0.042 0.189 2.59 .03-.02-.01 .30 .21 .15 100.000 64 56 58 62 0.0 102348.52 40.43 10.78 0.089 0.014 4.1 0.039 0.167 2.15-.04-.05-.03 .18 .18 .11 110.000 55 51 52 55 5.5 124809.65 43.72 10.78 0.064 -0.003 2.9 0.041 0.126 1.78-.02-.06-.01 .23 .16 .13 120.000 65 56 59 64 3.1 83810.634 35.32 10.77 0.092 -0.015 3.5 0.049 0.158 1.84-.04-.04-.04 .22 .20 .13 130.000 53 51 52 53 5.7 115639.05 42.43 10.78 0.068 -0.013 3.0 0.053 0.124 1.92-.03-.07-.02 .43 .20 .12 140.000 74 68 72 73 1.4 107532.80 41.16 10.77 0.091 -0.023 3.6 0.070 0.157 1.81-.05-.04-.02 .17 .15 .12 150.000 50 46 48 50 8.0 136751.41 47.50 10.74 0.086 0.042 4.0 0.058 0.161 2.36 .02 .03-.01 .24 .18 .11 160.000 58 51 58 57 6.9 86991.574 35.07 10.78 0.095 0.025 3.2 0.094 0.155 1.49-.07 .02-.01 .21 .22 .08 170.000 43 40 43 43 2.3 95229.119 39.02 10.80 0.084 0.040 3.1 0.078 0.179 2.34-.01 .02 .01 .21 .15 .12 180.000 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_01.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 479 257 290 464 3.5 102192.89 39.56 10.77 0.098 -0.004 4.0 0.059 0.173 1.99 .03 .00-.01 .23 .19 .12 0.050 544 283 306 536 3.9 108102.84 41.22 10.78 0.083 0.001 3.5 0.055 0.157 2.01-.02-.02-.02 .25 .19 .12 0.100 36 33 36 36 0.0 99004.105 39.97 10.79 0.078 0.028 3.0 0.079 0.174 2.21-.01 .01 .00 .18 .16 .10 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.250 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.350 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.400 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.500 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 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_01.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1059 316 357 1036 3.6 105120.38 40.44 10.78 0.089 -0.000 3.7 0.057 0.149 1.97 .00-.01-.02 .24 .19 .12 2.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 13 9 10 13 92.3 -212.725 -0.20 10.55 1.049 -3.364 1.1 1.587 1.767 1.34 .06 .02-.03 .36 .33 .20 0.100 9 5 7 8100.0 1086.186 0.88 10.55 0.996 -0.025 0.6 0.475 1.883 2.72 .02 .23 .01 .54 .61 .23 0.200 10 9 9 10 70.0 2643.903 2.26 10.56 0.360 -0.033 0.7 0.192 0.813 2.21-.02-.08 .05 .40 .26 .24 0.300 20 17 19 19 30.0 20552.230 9.46 10.57 0.245 -0.180 2.2 0.198 0.363 1.30 .08 .09-.06 .36 .30 .23 0.400 37 31 32 36 5.4 39458.318 15.13 10.57 0.098 -0.045 1.5 0.055 0.211 2.84 .10-.05-.02 .40 .27 .16 0.500 51 39 47 47 2.0 58615.608 20.46 10.60 0.061 0.005 1.4 0.045 0.132 1.84 .12 .03-.02 .46 .29 .12 0.600 109 87 93 106 0.9 69597.417 27.25 10.67 0.105 -0.005 2.7 0.074 0.150 1.89 .04-.01-.02 .31 .29 .13 0.700 188 140 149 187 0.0 97927.805 36.61 10.76 0.080 -0.005 3.0 0.058 0.155 1.91-.05-.03-.04 .27 .17 .12 0.800 322 199 215 314 0.0 118661.22 43.85 10.83 0.086 -0.005 4.2 0.055 0.145 1.86-.02-.01-.03 .15 .13 .10 0.900 300 172 179 296 0.0 140743.93 54.28 10.86 0.092 0.010 5.1 0.057 0.148 1.83 .00-.01 .01 .10 .11 .10 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1044 316 351 1027 3.5 106042.22 41.06 10.78 0.089 0.000 3.7 0.057 0.149 1.97 .01-.01-.02 .19 .16 .12 0.050 1 1 1 1 0.0 4556.800 2.14 10.76 1.209 -1.209 2.6 0.751 0.916 1.38-.47-.84-.21 .47 .84 .21 0.100 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.150 1 1 1 1 0.0 54368.301 13.05 10.47 0.188 -0.188 2.5 0.000 0.375 0.00-.88 1.2-.24 .88 1.2 .24 0.200 4 3 4 3 0.0 48765.825 12.48 10.49 0.142 0.004 2.2 0.072 0.161 1.33 .01-.34 .13 1.1 .63 .20 0.250 1 1 1 1 0.0 29245.900 8.03 10.52 0.175 -0.175 1.4 0.000 0.349 0.00-1.0-.39 .00 1.0 .39 .00 0.300 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.350 1 0 1 0 0.0 34370.699 14.64 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .04-.68 .11 .04 .68 .11 0.400 4 0 4 1 25.0 48971.775 12.80 10.58 1.076 -0.021 1.4 0.000 0.000 0.00 .06 .31 .01 1.0 .88 .17 0.450 1 0 1 0 0.0 55694.898 9.35 10.53 0.000 0.000 0.0 0.000 0.000 0.00 1.7-.53 .17 1.7 .53 .17 0.500 1 1 1 1 0.0 12482.200 5.13 10.49 0.807 -0.807 4.1 0.377 1.721 5.04-.67 2.0-.53 .67 2.0 .53 0.550 1 1 1 1 0.0 32740.801 6.07 10.46 0.115 0.115 0.7 0.000 0.230 0.00-2.5-.73-.30 2.5 .73 .30 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_01.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 64 56 58 64 7.8 69357.928 30.63 10.77 0.097 -0.015 3.8 0.044 0.180 3.01 .02 .02-.03 .29 .25 .12 0.050 41 36 40 40 9.8 141589.37 52.68 10.81 0.069 -0.016 3.7 0.050 0.150 2.62 .04 .00-.02 .30 .16 .10 0.100 44 41 42 44 0.0 100110.50 38.61 10.79 0.103 -0.012 4.5 0.064 0.201 2.71 .03-.00-.03 .27 .14 .11 0.150 61 50 53 61 4.9 87474.082 34.73 10.78 0.095 0.019 3.2 0.061 0.161 2.06 .03-.00-.03 .14 .13 .11 0.200 54 50 51 54 0.0 156686.01 53.53 10.84 0.070 0.014 3.7 0.056 0.128 1.41-.01 .01-.03 .17 .12 .14 0.250 46 40 45 44 2.2 107305.96 41.18 10.82 0.089 0.039 4.0 0.026 0.169 2.93 .02-.01-.03 .16 .11 .07 0.300 49 45 48 49 2.0 117173.03 43.42 10.89 0.105 -0.004 4.1 0.073 0.163 1.66 .01-.04-.01 .15 .15 .09 0.350 36 32 33 35 2.8 162623.71 48.69 10.72 0.089 0.029 4.2 0.055 0.125 1.83-.09-.05-.03 .24 .20 .08 0.400 49 47 47 49 6.1 123527.33 50.44 10.80 0.098 -0.021 4.8 0.062 0.159 1.84-.02-.01-.03 .21 .13 .15 0.450 54 46 52 50 3.7 84669.188 34.60 10.82 0.123 -0.008 4.8 0.056 0.228 2.21-.10-.04-.02 .41 .18 .12 0.500 48 42 45 45 6.2 85176.975 35.72 10.76 0.109 0.029 3.8 0.071 0.179 1.77 .04-.06 .01 .33 .21 .12 0.550 38 36 37 38 10.5 104644.30 47.01 10.82 0.096 -0.014 4.4 0.066 0.197 2.55 .03 .00 .01 .19 .17 .12 0.600 62 56 59 62 6.5 121986.24 42.89 10.76 0.092 0.025 3.6 0.063 0.180 2.38-.01 .00 .03 .19 .10 .11 0.650 62 53 57 60 0.0 125936.62 43.81 10.77 0.067 0.008 2.9 0.041 0.132 1.75-.02 .03 .01 .12 .27 .12 0.700 63 53 59 62 0.0 109638.40 37.98 10.72 0.080 -0.015 3.4 0.046 0.146 2.06 .00-.03-.01 .13 .11 .08 0.750 56 51 54 54 1.8 98528.493 35.20 10.73 0.092 -0.006 3.6 0.068 0.132 1.56-.01 .02 .00 .22 .26 .10 0.800 65 58 61 62 1.5 129391.29 50.02 10.88 0.074 0.001 3.9 0.065 0.120 1.90-.00 .01-.01 .15 .12 .09 0.850 49 42 45 48 0.0 91911.125 35.52 10.75 0.061 -0.013 2.5 0.038 0.136 1.89 .04-.01-.02 .24 .20 .18 0.900 59 49 52 57 6.8 61844.702 27.46 10.67 0.136 -0.061 3.5 0.090 0.204 1.85 .02 .01-.05 .33 .31 .15 0.950 59 47 51 58 1.7 55858.969 25.82 10.67 0.098 -0.023 2.8 0.055 0.198 2.65 .01-.04-.03 .28 .24 .15 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.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 .00 506.457 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1012.914 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2025.828 7 5 5 7 14.3 5515.097 11.48 11.42 0.365 -0.205 3.9 0.362 1.066 3.28-.05-.03-.09 .10 .07 .14 4051.656 140 63 66 139 5.0 31194.155 23.63 10.90 0.150 -0.030 3.6 0.077 0.282 3.01 .01 .00-.01 .10 .07 .11 8103.312 448 179 190 445 3.3 99303.745 38.77 10.75 0.093 0.008 3.5 0.058 0.161 2.00-.02-.01-.02 .11 .09 .12 16206.625 364 165 177 357 3.0 106113.44 35.14 10.67 0.078 -0.001 2.8 0.057 0.142 1.89 .01-.02-.02 .26 .20 .12 32413.250 89 38 54 77 3.4 185122.31 59.45 10.99 0.099 -0.018 8.1 0.057 0.180 1.99 .06-.02 .00 .54 .43 .13 64826.500 10 6 7 10 10.0 627344.23 166.13 11.65 0.076 0.019 15.1 0.043 0.152 2.14-.13 .17-.04 .42 .50 .10 129653.000 1 1 1 1 0.0 1054000.0 322.21 11.88 0.005 0.005 1.5 0.031 0.107 2.44 .11-.01 .04 .11 .01 .04 259306.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.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 1.248 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.495 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.743 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.991 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.239 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.486 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.734 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.982 954 293 330 933 4.0 90661.321 34.23 10.67 0.091 -0.001 3.2 0.061 0.149 1.81-.00-.01-.02 .25 .20 .12 11.229 105 41 46 103 0.0 236491.28 109.72 11.74 0.083 0.003 8.8 0.043 0.140 2.52 .02-.00-.01 .10 .02 .07 12.477 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 1 1 1 0.0 32740.801 6.07 10.46 0.115 0.115 0.7 0.000 0.230 0.00-2.5-.73-.30 2.5 .73 .30 -1.380 1 0 1 1100.0 3817.300 1.33 10.50 1.076 -1.076 1.4 0.000 0.000 0.00-1.3 1.6-.28 1.3 1.6 .28 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 1 1 1 0.0 29245.900 8.03 10.52 0.175 -0.175 1.4 0.000 0.349 0.00-1.0-.39 .00 1.0 .39 .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 5 5 5 5 20.0 18603.580 7.34 10.53 0.201 -0.112 1.3 0.186 0.495 3.10-.86 .29-.16 .86 .77 .29 -0.780 4 3 4 3 0.0 51652.926 13.85 10.52 0.136 0.033 2.4 0.097 0.195 1.67-.70 .57-.22 .70 1.0 .30 -0.660 6 5 6 6 0.0 39780.901 12.41 10.46 0.148 0.006 1.5 0.039 0.276 3.95-.59-.24-.16 .59 .39 .19 -0.540 9 8 9 9 0.0 31676.144 11.48 10.55 0.110 -0.036 1.5 0.289 0.159 1.63-.49 .02-.16 .50 .42 .23 -0.420 26 21 24 25 11.5 34117.616 13.58 10.54 0.084 -0.019 1.0 0.080 0.179 2.10-.36 .00-.16 .36 .25 .25 -0.300 38 34 37 38 10.5 43736.486 16.63 10.56 0.097 -0.001 1.4 0.068 0.180 1.89-.23-.01-.09 .23 .26 .20 -0.180 225 170 181 219 2.7 126328.95 49.93 10.86 0.084 0.013 4.4 0.052 0.157 1.94-.10-.01-.02 .11 .10 .09 -0.060 431 209 222 426 1.6 108944.95 41.07 10.71 0.090 0.003 3.6 0.063 0.151 1.81-.00-.02-.01 .04 .10 .09 0.060 220 159 167 219 1.4 133325.72 54.52 11.01 0.088 -0.013 5.0 0.051 0.148 2.39 .10-.01-.01 .10 .09 .08 0.180 40 34 36 40 7.5 43336.388 15.42 10.56 0.103 -0.024 1.6 0.048 0.160 1.97 .24 .03 .07 .24 .20 .13 0.300 18 14 16 17 11.1 30628.861 11.89 10.55 0.102 -0.036 1.3 0.050 0.174 2.39 .36 .11 .06 .36 .26 .15 0.420 11 8 11 8 18.2 32344.605 12.72 10.55 0.176 -0.086 1.7 0.112 0.309 1.61 .48-.10 .10 .48 .33 .15 0.540 7 5 7 6 14.3 30020.143 10.75 10.51 0.262 0.058 2.0 0.208 0.315 1.18 .58 .09 .19 .58 .49 .23 0.660 7 6 6 7 57.1 7447.857 3.27 10.55 0.522 0.087 1.9 0.169 0.755 1.45 .71-.16 .04 .71 .59 .37 0.780 2 2 2 2 0.0 28884.449 9.62 10.52 0.162 0.015 1.6 0.061 0.549 5.04 .86 .07 .24 .86 .12 .25 0.900 2 1 2 1 0.0 9790.950 3.99 10.55 0.071 -0.041 0.3 0.000 0.142 0.00 .94-.86 .26 .95 .86 .26 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 1 1 1 1 0.0 7661.700 3.60 10.48 0.687 -0.687 2.5 0.107 1.588 3.77 1.2-.46 .35 1.2 .46 .35 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 4 1 4 1 25.0 46359.075 10.23 10.52 0.654 -0.013 1.2 0.000 1.308 0.00 1.7-.19 .24 1.7 .82 .25 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) ErrY # 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 1 0 1 0 0.0 12676.200 4.03 10.55 0.000 0.000 0.0 0.000 0.000 0.00 2.0-1.2 .30 2.0 1.2 .30 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 2 2 2 2 0.0 15941.399 6.26 10.58 0.161 0.112 1.0 0.000 0.323 0.00 .84-.95 .29 .85 .95 .29 -0.900 3 2 3 2 33.3 2644.933 1.17 10.69 0.965 -1.159 2.1 0.751 1.211 1.38 .40-.83 .08 .74 .83 .22 -0.780 3 1 3 1 0.0 30679.667 9.31 10.76 0.115 0.041 0.7 0.000 0.230 0.00-.81-.71-.02 1.5 .71 .20 -0.660 5 4 5 5 20.0 34072.201 12.82 10.53 0.213 0.011 2.2 0.070 0.403 3.52 .09-.61 .11 .56 .61 .22 -0.540 12 9 10 11 16.7 22521.066 8.73 10.53 0.173 0.085 1.3 0.074 0.319 4.49 .14-.48 .02 .74 .48 .19 -0.420 13 11 13 12 7.7 63405.959 19.46 10.54 0.114 0.024 2.1 0.065 0.172 1.49-.07-.37-.05 .40 .37 .13 -0.300 49 37 44 47 4.1 66034.558 23.19 10.57 0.098 -0.017 2.3 0.059 0.161 1.67-.07-.22-.04 .25 .23 .16 -0.180 166 122 131 162 4.8 76990.963 29.13 10.66 0.091 -0.009 2.8 0.063 0.161 1.92-.01-.11-.01 .16 .11 .13 -0.060 607 251 267 604 0.7 134555.15 51.53 10.90 0.086 0.004 4.6 0.053 0.152 1.98 .00-.00-.02 .11 .03 .08 0.060 134 111 115 130 5.2 76108.058 30.87 10.62 0.097 -0.014 3.0 0.077 0.154 1.87 .01 .10-.03 .26 .11 .13 0.180 34 29 32 32 14.7 40989.856 17.57 10.57 0.108 -0.039 1.6 0.081 0.193 2.48 .00 .23 .01 .26 .23 .14 0.300 8 6 6 8 25.0 27062.262 11.89 10.58 0.105 -0.010 1.0 0.062 0.335 3.87 .15 .35 .03 .35 .35 .28 0.420 9 9 9 9 22.2 18877.186 9.05 10.60 0.187 0.139 1.5 0.220 0.356 1.79-.00 .48-.06 .39 .48 .22 0.540 5 4 5 4 20.0 13609.640 7.12 10.55 0.109 0.019 1.0 0.118 0.081 0.52-.04 .59-.07 .52 .59 .25 0.660 3 1 3 2 0.0 29651.533 10.44 10.43 0.346 0.031 1.3 0.000 0.723 0.00 .24 .72-.02 .57 .72 .26 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 1 1 1 1100.0 3749.200 1.79 10.49 0.654 -0.654 1.2 0.000 1.308 0.00 1.4 .91 .33 1.4 .91 .33 1.020 1 1 1 1 0.0 11943.400 5.74 10.61 0.365 -0.365 2.1 0.000 0.729 0.00-.87 1.1-.43 .87 1.1 .43 1.140 1 1 1 1 0.0 54368.301 13.05 10.47 0.188 -0.188 2.5 0.000 0.375 0.00-.88 1.2-.24 .88 1.2 .24 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 2 1 2 2 50.0 8149.750 3.07 10.50 0.870 -0.870 2.8 0.377 1.721 5.04-.99 1.8-.41 1.0 1.8 .42 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.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 1 1 1 1100.0 1563.200 0.88 10.54 0.547 -0.547 0.5 0.000 1.095 0.00 .70 .16-.84 .70 .16 .84 -0.780 2 2 2 2 0.0 56172.250 18.12 10.54 0.046 -0.027 0.9 0.025 0.147 4.77-.32-.20-.70 .33 .22 .70 -0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.540 4 4 4 4 0.0 9256.200 5.41 10.52 0.438 -0.438 2.0 0.210 1.069 5.78-.52 .82-.47 .58 1.1 .48 -0.420 8 8 8 8 12.5 9245.519 7.71 10.57 0.163 -0.026 1.3 0.290 0.257 0.98-.15 .15-.35 .33 .36 .35 -0.300 37 28 33 35 24.3 23947.779 11.37 10.57 0.141 -0.007 1.7 0.159 0.273 1.79-.39 .06-.23 .60 .47 .24 -0.180 285 198 204 283 2.5 106468.85 41.57 10.78 0.086 -0.002 3.6 0.047 0.157 2.10-.04-.01-.10 .15 .11 .10 -0.060 530 255 277 522 0.8 126173.09 45.31 10.81 0.085 0.002 4.1 0.059 0.148 1.98 .00-.02-.01 .13 .09 .03 0.060 142 105 121 134 2.1 83714.051 33.16 10.78 0.114 0.003 3.9 0.071 0.183 1.94 .11-.01 .11 .29 .21 .11 0.180 35 29 33 32 14.3 28237.511 14.75 10.63 0.123 -0.042 2.3 0.057 0.260 3.09 .22-.08 .22 .54 .40 .22 0.300 13 12 12 13 53.8 4508.016 3.78 10.63 0.303 -0.025 0.9 0.214 0.653 2.69 .33-.15 .33 .63 .48 .33 0.420 1 1 1 1100.0 432.601 0.63 10.52 0.136 0.136 0.1 1.092 3.684 2.39 .56 .31 .50 .56 .31 .50 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 1 1 1 1 0.0 61411.801 19.77 10.65 0.142 -0.142 2.8 0.022 0.328 9.22-.03-.02 .79 .03 .02 .79 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 23 0 23 0 4.3 71440.541 19.25 10.70 0.000 0.000 0.0 0.000 0.000 0.00 .30-.13 .05 .72 .45 .14 1.000 268 117 134 268 6.7 97739.500 36.98 10.76 0.067 0.000 2.4 0.000 0.137 0.00-.02-.00-.02 .32 .24 .14 2.000 96 31 32 96 6.2 162608.23 56.27 10.85 0.079 -0.000 4.3 0.069 0.113 1.15 .01-.01 .00 .21 .15 .14 3.000 672 168 168 672 1.9 101004.13 40.35 10.77 0.100 0.000 4.1 0.055 0.167 2.29-.00-.01-.02 .16 .15 .11 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_01.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1059 316 357 1036 3.6 105120.38 40.44 10.78 0.089 -0.000 3.7 0.057 0.149 1.97 .00-.01-.02 .24 .19 .12 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 126 38 43 124 0.0 213769.05 103.39 11.62 0.079 -0.000 8.0 0.046 0.142 2.53 .00-.00-.01 .09 .03 .07 2.999 149 44 45 149 0.7 157069.88 62.28 10.93 0.088 0.000 5.4 0.058 0.134 1.83 .01 .00-.03 .07 .04 .08 2.386 111 32 35 110 3.6 85367.871 41.31 10.77 0.094 0.000 3.7 0.059 0.160 2.07-.01-.01-.00 .08 .06 .09 2.085 140 40 41 140 5.0 96936.699 42.18 10.65 0.092 -0.000 3.7 0.069 0.130 1.30-.00-.00-.03 .08 .10 .11 1.895 142 43 45 142 1.4 112377.82 37.98 10.59 0.085 -0.000 3.1 0.053 0.157 2.54-.01-.01-.01 .10 .09 .09 1.760 105 31 33 104 8.6 68960.710 27.00 10.57 0.103 0.000 2.3 0.066 0.178 1.62-.04 .01-.03 .15 .14 .15 1.656 87 27 32 84 4.6 64530.533 22.47 10.58 0.095 -0.000 2.0 0.065 0.159 1.63 .01-.04-.02 .19 .22 .14 1.574 106 35 40 104 2.8 46279.395 15.99 10.56 0.099 -0.000 1.6 0.065 0.179 2.37 .01-.00-.02 .31 .32 .18 1.505 77 23 31 71 6.5 47935.057 13.92 10.54 0.117 0.000 1.6 0.065 0.171 2.06-.01-.07 .00 .58 .31 .15 1.447 16 3 12 8 18.8 32994.019 9.50 10.53 0.213 0.000 1.5 0.000 0.317 0.00 .32 .05 .03 .92 .78 .20 1.397 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 41 21 23 40 78.0 419.228 0.57 10.72 1.086 -1.503 1.4 0.840 1.801 2.13 .05-.01-.00 .28 .25 .26 2230.469 35 22 23 35 17.1 3199.286 3.08 10.62 0.573 -0.331 2.2 0.345 0.991 2.09 .01 .15-.01 .42 .40 .18 4460.938 69 38 41 67 0.0 6876.220 5.24 10.68 0.318 -0.152 2.4 0.228 0.707 1.67-.02-.02-.02 .34 .25 .18 8921.875 73 41 44 72 0.0 12561.818 8.91 10.67 0.248 -0.031 2.6 0.185 0.543 2.29-.01 .00-.03 .36 .36 .15 17843.750 106 47 53 103 0.0 26845.941 14.53 10.72 0.154 -0.022 2.6 0.109 0.323 2.26 .01-.07 .00 .34 .21 .10 35687.500 217 92 102 212 0.0 52474.432 20.65 10.72 0.117 -0.019 2.9 0.062 0.230 2.87 .01-.00-.01 .23 .16 .12 71375.000 259 100 113 250 0.0 99986.616 33.35 10.73 0.093 -0.004 3.6 0.062 0.173 1.89-.01-.02-.03 .17 .13 .09 142750.000 188 68 73 186 0.0 203487.17 57.34 10.89 0.086 -0.000 5.7 0.052 0.164 2.10-.00-.00-.02 .08 .06 .07 285500.000 62 25 27 62 0.0 379788.79 91.67 11.17 0.067 0.020 7.3 0.048 0.133 2.19-.00-.00-.02 .08 .03 .06 571000.000 9 4 4 9 0.0 874466.78 173.90 11.78 0.055 0.011 9.7 0.042 0.110 1.94 .01-.00-.02 .09 .01 .05 1142000.0 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 33 16 19 32100.0 459.391 0.45 10.57 1.096 -1.378 1.0 1.440 1.918 1.66 .07 .05 .01 .42 .41 .28 1.782 20 18 18 20 25.0 2870.107 2.32 10.67 0.716 -0.515 1.8 0.417 0.954 2.21-.06 .03-.00 .44 .39 .21 3.174 66 35 40 63 0.0 6581.798 4.37 10.60 0.289 -0.101 1.4 0.245 0.685 2.03 .04 .03-.01 .45 .41 .20 5.655 67 41 42 66 0.0 12297.477 7.84 10.63 0.287 -0.055 2.6 0.187 0.553 2.39-.04-.06-.03 .48 .27 .15 10.075 174 70 88 164 0.0 34091.339 14.14 10.62 0.119 -0.011 1.8 0.078 0.240 2.50 .03-.01-.01 .28 .21 .12 17.950 260 99 108 255 0.0 68236.429 24.58 10.65 0.099 0.003 2.9 0.058 0.182 2.18-.02-.03-.02 .13 .13 .10 31.981 247 100 106 245 0.0 129605.93 43.64 10.84 0.094 -0.003 4.4 0.064 0.171 2.07-.00-.01-.02 .07 .07 .07 56.977 147 58 60 146 0.0 223997.00 70.62 11.00 0.074 0.009 5.6 0.050 0.130 1.89 .00 .00-.01 .07 .05 .07 101.512 39 16 17 39 0.0 427594.77 132.14 11.73 0.082 -0.011 13.1 0.050 0.136 2.00 .00 .00-.02 .10 .02 .06 180.855 6 4 4 6 0.0 783634.67 207.56 11.78 0.053 0.033 13.5 0.036 0.131 1.89 .01 .02-.01 .10 .02 .05 322.214 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 182 116 120 182 0.0 134854.04 47.56 10.83 0.014 0.003 0.6 0.035 0.081 1.24-.01-.00-.03 .13 .09 .09 0.030 176 113 119 176 0.0 147501.48 47.96 10.76 0.044 0.005 1.9 0.042 0.113 1.66-.01-.01-.03 .14 .11 .09 0.060 145 107 112 145 0.0 136879.42 46.77 10.81 0.074 0.016 3.1 0.051 0.135 1.76 .00-.00-.02 .15 .13 .09 0.090 109 88 89 109 0.0 105288.18 36.49 10.73 0.104 0.008 3.6 0.052 0.173 2.15-.04-.04-.02 .30 .16 .12 0.120 93 84 84 93 1.1 90705.461 36.31 10.76 0.137 0.015 4.6 0.062 0.213 2.34-.00 .02 .01 .21 .13 .14 0.150 63 60 60 63 1.6 113348.66 43.41 10.87 0.168 0.071 6.6 0.080 0.228 2.29-.01-.04-.00 .16 .12 .09 0.180 58 52 54 58 3.4 90359.959 38.40 10.81 0.195 0.029 6.9 0.087 0.282 2.49-.00-.00-.03 .24 .24 .12 0.210 31 28 28 31 3.2 49647.431 24.27 10.69 0.225 -0.131 5.2 0.105 0.301 2.10 .01-.02-.00 .28 .26 .16 0.240 20 20 20 20 15.0 70506.508 38.74 10.81 0.254 -0.135 8.1 0.109 0.323 2.69 .02-.02 .03 .23 .15 .14 0.270 23 21 21 23 4.3 54049.409 27.20 10.76 0.283 -0.207 7.1 0.062 0.458 3.67 .01-.04 .02 .21 .15 .11 0.300 20 18 19 20 0.0 34976.700 20.94 10.77 0.316 -0.128 6.3 0.108 0.503 3.54-.03-.03-.06 .18 .12 .17 0.330 14 12 13 14 7.1 50575.121 30.11 10.81 0.351 -0.227 9.6 0.215 0.500 1.90-.00 .07-.05 .20 .26 .14 0.360 15 15 15 15 0.0 23474.660 18.15 10.78 0.367 -0.237 6.0 0.223 0.498 2.17-.08 .03 .01 .28 .37 .18 0.390 8 7 8 8 0.0 31084.350 15.25 10.72 0.410 -0.147 6.5 0.165 0.527 3.78-.03 .06-.04 .21 .18 .12 0.420 6 6 6 6 0.0 40115.083 24.20 10.87 0.439 -0.217 11.3 0.209 0.462 2.22 .12-.07 .00 .29 .22 .08 0.450 7 7 7 7 0.0 18111.700 11.91 10.59 0.468 -0.203 5.0 0.159 0.727 3.01 .02-.01-.07 .25 .29 .18 0.480 5 5 5 5 0.0 29198.800 22.20 10.75 0.506 -0.377 10.1 0.372 0.491 1.56 .06 .01 .06 .09 .14 .08 0.510 5 5 5 5 0.0 21204.020 11.90 10.51 0.523 -0.401 6.2 0.147 0.872 3.95 .05-.05-.00 .10 .14 .06 0.540 4 4 4 4 50.0 6585.971 5.73 10.91 0.548 -0.548 4.0 0.569 1.453 1.79 .22 .05-.12 .42 .16 .45 0.570 52 38 40 52 48.1 3610.178 3.16 10.65 1.041 -1.058 4.7 0.464 1.590 2.32 .05 .05-.03 .43 .45 .18 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 59 48 50 59 35.6 8344.177 6.75 10.66 0.713 -0.737 5.8 0.320 1.037 2.25 .05 .03-.03 .41 .42 .20 -0.460 5 5 5 5 0.0 41553.060 27.38 10.67 0.442 -0.442 11.1 0.207 0.472 2.26-.01-.01-.04 .04 .08 .05 -0.420 6 5 6 6 0.0 32565.666 16.87 10.72 0.407 -0.407 6.9 0.157 0.560 3.92 .11-.02 .03 .15 .12 .09 -0.380 13 13 13 13 7.7 63461.431 36.63 10.91 0.358 -0.358 12.3 0.216 0.475 1.97-.14 .11-.06 .30 .39 .18 -0.340 13 11 12 13 0.0 38599.670 22.31 10.78 0.320 -0.320 7.0 0.105 0.549 3.56-.03-.01-.11 .20 .17 .20 -0.300 21 20 20 21 0.0 64093.257 35.06 10.88 0.278 -0.278 8.7 0.055 0.465 4.10 .05-.03 .01 .21 .15 .09 -0.260 21 18 18 21 4.8 79524.675 36.29 10.75 0.240 -0.240 7.9 0.101 0.322 2.46 .05-.05 .03 .25 .15 .13 -0.220 28 27 27 28 0.0 92668.239 42.46 10.81 0.196 -0.196 7.8 0.100 0.260 1.93-.04 .02-.03 .23 .26 .11 -0.180 43 40 40 43 0.0 80777.175 31.86 10.72 0.159 -0.159 5.0 0.080 0.215 1.75-.03-.04-.01 .20 .14 .14 -0.140 65 57 58 65 0.0 81007.903 32.15 10.74 0.120 -0.120 3.7 0.056 0.208 2.49-.02 .00-.03 .19 .13 .13 -0.100 71 61 66 71 0.0 140696.75 48.87 10.78 0.080 -0.080 3.5 0.054 0.135 1.82 .01 .00-.04 .17 .15 .11 -0.060 104 85 91 104 0.0 135961.06 45.29 10.75 0.041 -0.041 1.6 0.046 0.114 1.93 .00-.01-.03 .15 .11 .09 -0.020 131 92 94 131 0.0 127909.21 46.39 10.82 0.008 0.001 0.4 0.036 0.079 1.24-.01-.01-.02 .14 .09 .10 0.020 123 97 105 123 0.0 159411.70 51.07 10.80 0.039 0.039 1.8 0.036 0.090 1.39-.02-.01-.03 .13 .10 .08 0.060 110 100 105 110 0.0 133728.54 44.50 10.81 0.077 0.077 3.2 0.049 0.145 2.01-.00-.02-.00 .14 .11 .08 0.100 61 61 61 61 1.6 93429.722 33.00 10.72 0.116 0.116 3.5 0.063 0.183 2.07-.06-.01 .01 .39 .18 .13 0.140 60 56 56 60 1.7 129379.14 49.99 10.91 0.160 0.160 6.9 0.067 0.229 2.65-.01-.02 .01 .14 .10 .09 0.180 39 36 38 39 5.1 81462.186 33.34 10.80 0.196 0.196 6.1 0.085 0.284 2.68 .02-.03-.02 .27 .26 .14 0.220 10 10 10 10 0.0 35396.600 19.77 10.68 0.241 0.241 4.4 0.103 0.317 3.10-.04 .09-.02 .16 .23 .13 0.260 13 12 12 13 30.8 22425.852 12.51 10.55 0.280 0.280 2.8 0.126 0.375 2.89-.06-.04 .06 .28 .17 .19 0.300 12 12 12 12 0.0 25066.300 18.19 10.78 0.315 0.315 5.0 0.123 0.474 3.22-.03 .01-.04 .11 .07 .15 0.340 8 7 8 8 0.0 12683.775 9.79 10.66 0.358 0.358 3.6 0.219 0.530 1.79 .05 .00 .08 .23 .31 .11 0.380 5 5 5 5 0.0 16785.260 9.20 10.65 0.407 0.407 4.0 0.260 0.464 2.49-.07-.00-.05 .27 .25 .15 0.420 2 2 2 2 0.0 30653.800 15.56 11.23 0.438 0.438 10.1 0.156 0.563 3.97 .40-.26 .11 .51 .37 .11 0.460 13 10 11 13 46.2 5552.331 4.63 10.63 0.551 0.551 2.0 0.320 0.664 1.78 .09 .06-.05 .28 .29 .18 0.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 291 161 169 291 7.9 67970.624 28.81 10.68 0.017 0.001 0.5 0.043 0.091 1.31-.02-.01-.02 .27 .18 .14 1.000 186 124 130 186 4.8 77506.602 30.34 10.70 0.048 0.000 1.5 0.040 0.127 1.79 .02 .01-.03 .27 .23 .14 2.000 153 108 110 153 2.0 91877.445 33.97 10.72 0.073 0.009 2.5 0.049 0.147 1.99-.01-.02-.01 .21 .21 .13 3.000 102 77 77 102 0.0 127430.28 43.95 10.74 0.078 0.020 3.5 0.060 0.137 1.56 .01-.02-.01 .14 .13 .08 4.000 72 58 60 72 0.0 118330.80 42.95 10.77 0.105 0.001 4.5 0.064 0.166 2.12 .01 .00-.02 .17 .27 .09 5.000 49 44 45 49 2.0 130476.71 48.94 10.78 0.113 -0.007 5.5 0.055 0.171 1.95 .00-.02-.02 .12 .08 .09 6.000 35 31 32 35 2.9 128915.52 52.24 10.85 0.122 0.015 6.4 0.060 0.216 2.17-.05-.02-.02 .08 .08 .07 7.000 26 23 23 26 0.0 158805.38 58.69 10.88 0.127 0.011 7.5 0.079 0.158 1.43 .01-.00-.00 .07 .07 .08 8.000 22 19 19 22 0.0 245613.03 80.91 11.06 0.105 0.004 8.5 0.059 0.201 2.41-.02-.00-.05 .08 .04 .08 9.000 26 21 21 26 0.0 164490.24 60.10 11.04 0.158 0.043 9.5 0.070 0.273 3.15-.00-.00-.02 .07 .07 .06 10.000 11 10 10 11 0.0 150370.18 59.44 11.00 0.178 -0.010 10.5 0.039 0.314 3.14-.02 .01-.01 .07 .02 .08 11.000 12 12 12 12 0.0 229997.21 97.75 11.21 0.119 -0.039 11.6 0.048 0.164 2.10 .01-.01-.01 .08 .06 .09 12.000 6 6 6 6 0.0 199761.48 68.91 11.23 0.178 0.114 12.3 0.072 0.246 2.30 .02-.01 .00 .07 .03 .07 13.000 7 5 5 7 0.0 352877.86 110.74 11.60 0.122 0.007 13.5 0.052 0.169 2.86 .04-.01-.04 .10 .02 .08 14.000 5 5 5 5 0.0 108619.92 49.92 10.93 0.288 -0.288 14.4 0.160 0.327 2.09 .07 .00-.01 .08 .05 .05 15.000 6 6 6 6 0.0 153128.48 68.08 11.04 0.229 -0.065 15.5 0.114 0.261 2.11 .01 .01 .01 .08 .03 .05 16.000 3 3 3 3 0.0 106050.57 50.09 11.12 0.326 -0.011 16.4 0.106 0.438 4.43 .03 .04 .03 .06 .04 .08 17.000 6 6 6 6 0.0 150420.60 87.56 11.16 0.202 -0.202 17.5 0.138 0.186 1.04-.00 .01 .01 .06 .02 .07 18.000 4 4 4 4 0.0 226383.25 98.50 11.29 0.188 -0.109 18.5 0.128 0.191 1.30 .08 .01 .04 .10 .03 .04 19.000 1 1 1 1 0.0 69976.797 43.54 10.69 0.443 -0.443 19.3 0.441 0.007 0.02 .03 .12-.04 .03 .12 .04 20.000 1 1 1 1 0.0 13520.000 29.20 11.05 0.688 -0.688 20.1 0.410 1.112 2.47-.09 .00-.04 .09 .00 .04 21.000 1 1 1 1 0.0 592760.00 152.97 11.73 0.143 0.143 21.9 0.044 0.199 3.92-.08-.01-.08 .08 .01 .08 22.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 23.000 1 1 1 1 0.0 199866.00 134.95 11.74 0.172 -0.172 23.2 0.028 0.288 7.81 .12 .01 .04 .12 .01 .04 24.000 10 6 6 10 0.0 264718.78 137.49 12.02 0.247 -0.091 36.0 0.059 0.372 3.46 .02 .00 .00 .11 .01 .06 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1059 316 357 1036 3.6 105120.38 40.44 10.78 0.089 -0.000 3.7 0.057 0.149 1.97 .00-.01-.02 .24 .19 .12 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 129 47 68 122 8.5 120037.99 50.12 10.91 0.046 0.000 2.2 0.000 0.096 0.00 .01-.01 .00 .21 .15 .12 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_01.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 2.999 43 43 100.00 2.93 0.079 38 88.37 0.079 103.39 0.0 to 2.386 88 88 100.00 3.12 0.083 82 93.18 0.088 62.28 0.7 to 2.085 123 123 100.00 3.14 0.085 114 92.68 0.094 41.31 3.6 to 1.895 164 164 100.00 3.21 0.086 154 93.90 0.092 42.18 5.0 to 1.760 209 209 100.00 3.20 0.086 197 94.26 0.085 37.98 1.4 to 1.656 242 244 99.18 3.19 0.087 228 93.44 0.103 27.00 8.6 to 1.574 274 279 98.21 3.14 0.088 255 91.40 0.095 22.47 4.6 to 1.505 314 322 97.52 3.08 0.088 290 90.06 0.099 15.99 2.8 to 1.447 345 364 94.78 3.02 0.089 313 85.99 0.117 13.92 6.5 to 1.397 357 404 88.37 2.97 0.089 316 78.22 0.213 9.50 18.8