SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:24:41 INTEGRATE & "/smb/isengard/data/neal054/fastscan_01_0001.sfrm,neal054_[1-23]_0001" & "/smb/isengard/data/neal054/work/neal054_01.raw,neal054_01A,neal054_[2-23]" & /2THETA=-9999.0000 /ACTTHRESH=0.0000 /ALPHA12 /AMNAME=$NEW /BATCH=1 & /BGCSCALE=0 /BGQSCALE=1 /BGSIG=1.000 /CHI=-9999.0000 /CRYSTAL=1 & /CYCLIM=25 /DAAP=0.0000 /DAPHI=0.00000 /DFRAME /ESDSCALE=1.00000 & /EXPOSURE=0.000 /GLOBAL /GMARQ=2.000000e-03 /GMIN=0 /GREFLIM=9999 & /GRLVERR=0.0250 /GSVD=1.000000e-06 /IAXIS=-9999 /IOVSIGMA=-3.00000 & /K1=3 /K2=3 /L1=T /L2=0 /LATTICE=0 /LMARQ=2.000000e-03 /LMIN=0 & /LORENTZ=0.02000 /LORMODEL=0.07500 /LRES=9999.00000 /LSFIT /LSFREQ=50 & /LSVD=5.000000e-05 /LTHR=8.000 /LWT=0.000 /MACHINE_ERROR=0.0000 & /MAXSATIND=1 /MCREFLIM=4096 /MCVERB=1 /MEDMSK=-1 /MISSING=0.6000 & /MMIC=20.00000 /NEXP=-9999 & /NFRAMES="180,80,94,80,80,94,82,92,82,92,92,80,92,82,82,92,94,95,82,92,95,95,360,126" & /NODECAY /NSIM=0 /OMEGA=-9999.0000 & /ORIENTATION="/smb/isengard/data/neal054/work/z7A9pa.p4p" & /ORTUPDSCALE=1.000 /OVRTIME=-9999.00000 /PHI=-9999.0000 & /POINTGROUP="2/m" /PROFXHALF=4 /PROFYHALF=4 /PROFZHALF=4 /QUEUEHALF=7 & /RESOLUTION="0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86" & /ROLL=0.000 /SEED=0 /SHRMSK=-1 /SMAP=$P4P /SMIC=20.00000 /SNAP=100 & /SPATIAL=$NULL /SSBIAS=1.0000 /STRONG=10.000 /TIMEOUT=0.000 & /TITLE="Integration of neal054" /TOPFILT /TPROF=0.0500 /TTM=0.000 & /TWINBOXRATIO=1.30000 /TWINMINCOMVOL=0.04000 /TWINSEPARATION=1.00000 & /VERBOSITY=2 /VOLANGSTROMS=1.00000 /VOLTARGET=1.00000 & /WIDTH=-9999.0000 /WTMETH=2 /XSIZE=0.7800 /YSIZE=0.7800 /ZSIZE=2.2700 & /ZW=1.000 Multiple runs have been specified: (current run indicated with "*") FRAME MATRIX OUTPUT #FRAMES RESOLUTIONS fastscan_01_0001.sfrm z7A9pa.p4p neal054_01.raw 180 0.86 neal054_01_0001.sfrm z7A9pa.p4p neal054_01A.raw 80 0.86 neal054_02_0001.sfrm z7A9pa.p4p neal054_02.raw 94 0.86 neal054_03_0001.sfrm z7A9pa.p4p neal054_03.raw 80 0.86 neal054_04_0001.sfrm z7A9pa.p4p neal054_04.raw 80 0.86 neal054_05_0001.sfrm z7A9pa.p4p neal054_05.raw 94 0.86 neal054_06_0001.sfrm z7A9pa.p4p neal054_06.raw 82 0.86 neal054_07_0001.sfrm z7A9pa.p4p neal054_07.raw 92 0.86 neal054_08_0001.sfrm z7A9pa.p4p neal054_08.raw 82 0.86 neal054_09_0001.sfrm z7A9pa.p4p neal054_09.raw 92 0.86 neal054_10_0001.sfrm z7A9pa.p4p neal054_10.raw 92 0.86 neal054_11_0001.sfrm z7A9pa.p4p neal054_11.raw 80 0.86 *neal054_12_0001.sfrm z7A9pa.p4p neal054_12.raw 92 0.86 neal054_13_0001.sfrm z7A9pa.p4p neal054_13.raw 82 0.86 neal054_14_0001.sfrm z7A9pa.p4p neal054_14.raw 82 0.86 neal054_15_0001.sfrm z7A9pa.p4p neal054_15.raw 92 0.86 neal054_16_0001.sfrm z7A9pa.p4p neal054_16.raw 94 0.86 neal054_17_0001.sfrm z7A9pa.p4p neal054_17.raw 95 0.86 neal054_18_0001.sfrm z7A9pa.p4p neal054_18.raw 82 0.86 neal054_19_0001.sfrm z7A9pa.p4p neal054_19.raw 92 0.86 neal054_20_0001.sfrm z7A9pa.p4p neal054_20.raw 95 0.86 neal054_21_0001.sfrm z7A9pa.p4p neal054_21.raw 95 0.86 neal054_22_0001.sfrm z7A9pa.p4p neal054_22.raw 360 0.86 neal054_23_0001.sfrm z7A9pa.p4p neal054_23.raw 126 0.86 Current batch number is 13 Integration of neal054 Logical CPUs detected: 12 Number of threads to be used: 1 Additional read-ahead threads: 0 Input linear pixel scale: 1.00000 Input frame rows, columns: 1024 1536 Frame queue half-size: 7 Number of frames in queue: 15 Profile X,Y,Z half-widths: 4 4 4 Number of X,Y,Z profile points: 9 9 9 Fraction-of-maximum method will be used to determine summation volume SMART CCD DETECTOR PARAMETERS ------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Detector is a single tile (from CONFIGURE menu) Read noise (e-): 45.56 (from frame neal054_12_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_12_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_12_0001.sfrm) Base offset per exposure: 64 (from frame neal054_12_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_12_0001.sfrm) Nominal pixels per CM: 36.955 (from CONFIGURE menu) CM from face to imaging plane: 1.004 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.425 (from CONFIGURE menu) Faceplate transmittance: 0.8192 (from CONFIGURE menu) Phosphor absorption: 1.0000 (from CONFIGURE menu) Air absorption (per CM): 0.0106 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) Frames were acquired with BIS V6.2.15/2021-03-15 && APEX3 2019.11-0 Booster system: rescan threshold is 60,000 ADU Starting swing angle will be obtained from frame header Starting omega will be obtained from frame header Starting phi will be obtained from frame header Starting chi will be obtained from frame header Number of exposures summed will be obtained from frame header Scan axis will be obtained from frame header Scan width will be obtained from frame header Exposure time will be obtained from frame header Initial background ================== 10/26/2021 10:24:41 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_12_0001.sfrm Nominal time per frame (s): 21 Intensity normalization in deg/min: 2.85714 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 10/26/2021 10:24:42 INFO: No spatial correction will be used Orientation for 1 component read from /smb/isengard/data/neal054/work/z7A9pa.p4p Detector distance of 3.996 cm was obtained from header of /smb/isengard/data/neal054/neal054_12_0001.sfrm Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file ... Input P4P data for sample 1 of 1: ... This sample is a single crystal with 3 indices (HKL) ... Component 1.1(1) (component 1 in sample 1, 1 of 1 in file) Orientation ("UB") matrix: 0.1439016 0.0358145 -0.0041686 0.0307886 -0.0026042 0.0770831 0.0657271 -0.0771916 -0.0045347 Unit Cell: A B C Alpha Beta Gamma 6.2486 11.7460 13.0234 90.000 96.799 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.618 -0.211 0.081 -0.198 -0.180 0.551 Goniometer zeros (deg): 0.0000 0.0000 0.0000 0.0000 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1.1(1) ... End sample 1 of 1 Mean, a1, a2 wavelength (Angstroms): 1.54184 1.54056 1.54439 Alpha1:alpha2 ratio: 2.00000 Nominal detector distance (cm): 3.996 X,Y beam center @swing=0 (pixels): 773.94 507.14 Input sample map: 1 Input components will be treated as follows: Component Lattice PointGroup Wanted Indices Subsystems 1.1(1) 0=P 2/m(B-unique) Y 3=HKL 1 Active pixel mask ================== 10/26/2021 10:24:42 Median filter size: input, used -1, 4 Mask shrinkage (pix): input, used -1, 6 No diamond-anvil cell occlusions will be computed Active area will be limited according to x-ray aperture file: neal054_xa_12_0001.sfrm Active pixel mask written to neal054_am_12_0001.sfrm Fraction of mask marked active: 0.9595 Scan axis is OMEGA Spatially corrected beam center: 773.94 507.14 Direction cosines of rotation axis: 0.004 0.000 1.000 Starting frame angles (degrees): 58.943 327.948 255.000 65.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 92 Mark-up frames will not be written Narrow-frame algorithm will be used. Per-frame BG offsets will be used. Recurrence-method BG will be used. Direct beam monitor will not be used. Alpha1,2 splitting will be added to box sizes Box volumes will be multiplied by exp(0.00000 * [sin(theta)/lambda]^2 Target volume factor is 1.000 at 1.000 angstroms Max allowed missing profile intensity: 0.600 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 LS will use individual reflection weights Initial orientation and spot-shape refinement ============== 10/26/2021 10:24:42 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.90% 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 14 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.78 0.78 2.27 1.000 2_0003 4 1.62 -0.54 -0.10 2.57 1.20 0.46 17778 36 0 0.23 22 0.78 0.78 2.27 1.000 3_0004 6 0.24 -0.20 0.19 0.53 0.42 0.25 24305 35 17 0.57 24 0.78 0.78 2.27 1.000 4_0005 3 0.21 -0.07 0.13 0.31 0.14 0.14 39251 49 0 0.70 28 0.78 0.78 2.27 1.000 5_0006 11 0.72 -0.12 0.12 1.33 0.38 0.56 28470 45 0 0.60 28 0.78 0.78 2.27 1.000 6_0007 5 0.49 0.07 -0.06 0.85 0.12 0.55 9964.0 27 0 0.61 28 0.78 0.78 2.27 1.000 7_0008 5 0.42 -0.24 0.13 0.57 0.27 0.29 45811 50 0 0.81 31 0.78 0.78 2.27 1.000 8_0009 13 0.69 -0.09 0.02 1.18 0.58 0.37 31731 40 0 0.65 28 0.78 0.78 2.27 1.000 9_0010 8 0.30 0.04 0.21 0.41 0.19 0.28 31457 45 0 0.72 27 0.78 0.78 2.27 1.000 10_0011 13 0.17 -0.00 0.11 0.57 0.39 0.39 29134 37 15 0.70 28 0.78 0.78 2.27 1.000 11_0012 15 0.12 0.03 0.20 0.41 0.25 0.26 23581 39 0 0.71 28 0.78 0.78 2.27 1.000 12_0013 7 0.15 0.01 0.17 0.42 0.06 0.22 20343 36 0 0.74 24 0.78 0.78 2.27 1.000 13_0014 9 0.35 -0.02 0.15 0.56 0.26 0.39 20547 36 11 0.69 29 0.78 0.78 2.27 1.000 14_0015 13 0.27 -0.06 0.26 0.46 0.27 0.43 80423 91 8 0.74 31 0.78 0.78 2.27 1.000 15_0016 5 0.56 0.06 0.09 1.12 0.30 0.66 149452 113 0 0.78 39 0.78 0.78 2.27 1.000 16_0017 10 0.33 -0.06 0.25 0.48 0.25 0.38 40032 42 10 0.63 27 0.78 0.78 2.27 1.000 17_0018 8 0.17 0.01 0.20 0.21 0.08 0.24 8514.9 22 13 0.56 24 0.78 0.78 2.27 1.000 18_0019 13 0.55 -0.01 0.23 1.50 0.41 0.37 46488 52 8 0.65 26 0.78 0.78 2.27 1.000 19_0020 9 0.15 0.01 0.21 0.45 0.06 0.48 97467 74 0 0.70 25 0.78 0.78 2.27 1.000 Background pixels updated = 91.60% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 3 0.28 -0.14 0.13 0.35 0.17 0.18 17304 46 0 0.69 27 0.78 0.78 2.27 1.000 21_0022 7 0.28 -0.27 -0.09 1.47 0.54 0.45 24584 35 14 0.75 28 0.78 0.78 2.27 1.000 22_0023 10 0.30 -0.06 0.06 0.58 0.21 0.32 53136 55 0 0.74 26 0.78 0.78 2.27 1.000 23_0024 7 -0.14 -0.07 0.51 0.36 0.22 0.65 62447 58 14 0.72 28 0.78 0.78 2.27 1.000 24_0025 8 0.15 -0.03 0.21 0.32 0.09 0.26 23569 38 0 0.72 27 0.78 0.78 2.27 1.000 25_0026 9 0.39 0.01 0.12 0.90 0.09 0.16 47272 53 11 0.72 28 0.78 0.78 2.27 1.000 26_0027 8 0.50 -0.01 0.11 0.85 0.48 0.24 12257 26 13 0.67 27 0.78 0.78 2.27 1.000 27_0028 8 0.44 0.06 0.17 0.58 0.32 0.31 14308 26 0 0.74 27 0.78 0.78 2.27 1.000 28_0029 8 0.38 0.00 0.06 0.58 0.18 0.41 10703 24 0 0.72 29 0.78 0.78 2.27 1.000 29_0030 7 1.02 -0.19 -0.35 1.87 0.90 0.98 48547 62 0 0.78 26 0.78 0.78 2.27 1.000 30_0031 13 0.38 -0.05 0.11 1.07 0.22 0.37 34060 48 0 0.77 29 0.78 0.78 2.27 1.000 I/Sigma = 50.56 Thresh = 0.020 Blend = F #Contributing = 50 InitialProfileWt = 0.035 Region 1 Sum = 13474.8; Maximum = 218.619; FM = 0.546 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 3 1 1 1 0 0 0 0 4 6 4 2 1 0 0 0 0 1 2 1 0 1 0 0 0 0 4 7 4 2 2 1 1 1 0 10 17 12 7 4 2 1 1 0 1 1 1 0 0 0 0 0 0 6 9 5 2 1 1 1 1 0 14 22 14 7 4 2 1 1 0 1 2 1 1 1 1 1 0 0 7 12 7 3 2 2 2 1 1 15 29 22 13 8 4 3 2 0 2 2 1 1 0 0 1 0 0 8 12 6 3 1 1 1 1 0 16 28 21 12 6 3 2 1 0 1 2 1 1 0 0 0 0 0 7 14 8 3 2 1 1 1 0 15 31 22 13 7 4 2 1 1 2 3 2 1 1 0 0 0 0 7 14 9 5 2 1 1 1 1 13 27 24 17 10 5 2 1 1 1 1 1 1 0 0 0 0 0 4 8 5 3 1 1 1 1 0 8 16 13 9 5 3 1 1 0 1 1 1 1 0 0 0 0 0 2 5 4 2 1 1 1 0 0 4 8 8 6 4 3 1 1 0 !Region 1: Section 4->6 5 10 7 4 2 1 0 0 0 5 12 10 7 4 2 1 0 1 2 5 5 5 3 2 1 0 0 16 44 45 33 17 7 2 1 0 14 49 56 45 25 10 3 2 1 5 18 23 22 14 6 2 1 1 19 47 44 31 17 7 2 1 1 16 50 56 45 26 11 4 2 1 5 19 25 24 16 7 3 1 1 21 71 80 69 43 20 7 3 1 18 78100 93 62 28 9 3 1 6 28 40 42 30 15 5 2 1 26 69 72 57 34 16 6 2 1 21 74 85 74 48 24 8 3 1 6 24 32 31 24 13 5 2 1 17 54 61 56 39 21 8 3 1 12 52 71 73 56 31 12 4 1 4 18 27 32 27 16 7 3 1 16 60 77 72 53 30 12 4 1 11 63 90 92 72 42 17 5 1 3 20 31 36 32 21 9 4 1 10 27 33 33 25 15 6 2 1 7 24 37 42 36 22 9 3 1 2 8 13 17 17 12 6 3 1 4 17 27 29 24 16 7 3 1 3 18 32 37 33 22 9 4 2 1 6 11 14 14 10 6 3 1 !Region 1: Section 7->9 0 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 4 4 2 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 5 4 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 7 6 4 2 2 1 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 2 4 5 5 4 3 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 3 4 5 4 3 2 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 4 5 6 4 3 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 3 2 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 3 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 203.90 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.035 Region 2 Sum = 209420; Maximum = 3411.54; FM = 0.753 !Region 2: Section 1->3 0 0 0 1 0 0 0 0 0 0 1 2 2 2 1 0 0 0 0 1 3 5 5 3 1 0 0 0 1 1 2 1 0 0 0 0 0 3 7 11 8 3 1 0 0 1 7 16 27 26 10 2 1 0 0 1 3 3 2 1 0 0 0 1 5 13 20 17 8 2 1 0 1 9 26 48 47 25 6 2 0 0 1 3 4 3 1 0 0 0 1 8 19 27 26 15 5 1 0 3 18 47 76 78 51 20 4 1 0 1 3 3 2 1 1 0 0 1 9 20 28 29 21 9 2 0 3 22 54 78 78 61 30 7 1 0 1 2 3 2 1 1 0 0 1 6 16 24 26 20 10 2 0 3 16 44 71 78 65 36 9 1 0 1 1 1 1 1 0 0 0 1 4 10 17 16 11 5 2 0 2 10 30 55 58 42 23 8 1 0 0 0 1 0 0 0 0 0 0 2 4 8 8 4 2 0 0 1 4 12 26 29 18 7 2 0 0 0 0 0 0 0 0 0 0 0 1 1 3 3 2 0 0 0 0 1 4 10 14 9 3 1 0 !Region 2: Section 4->6 0 1 2 5 7 5 1 0 0 0 1 1 3 4 3 1 0 0 0 0 0 1 1 1 0 0 0 1 5 15 30 31 15 3 1 0 0 2 7 16 19 10 3 1 0 0 1 2 6 8 6 2 1 0 2 8 25 53 55 31 9 2 0 1 4 14 31 35 20 7 2 0 0 1 5 13 15 10 5 2 0 3 20 55 94100 69 29 6 1 1 10 31 54 61 41 18 5 1 0 3 10 19 23 17 9 4 1 3 24 62 90 91 76 41 11 1 1 12 35 54 59 49 27 9 1 0 4 13 22 27 24 16 8 1 3 19 55 89 98 83 51 14 2 1 10 31 53 61 50 31 10 1 0 3 10 18 24 20 14 7 2 1 9 35 72 79 59 34 11 1 1 4 19 42 49 36 20 7 1 0 1 6 14 19 15 10 4 1 1 4 13 31 39 27 11 3 0 0 2 6 17 25 19 9 3 1 0 0 2 6 10 10 6 3 1 0 1 3 12 19 13 5 1 0 0 0 1 6 10 7 3 1 0 0 0 0 1 2 2 1 1 0 !Region 2: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 5 5 3 2 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 6 8 8 6 3 1 0 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 7 10 11 10 6 1 0 0 1 1 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 9 8 6 1 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 7 6 4 1 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 5 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 145.05 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.079 Region 3 Sum = 102278; Maximum = 1761.08; FM = 0.937 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 3 4 3 3 2 1 0 0 0 0 1 1 0 0 0 0 0 1 3 4 3 2 1 1 0 0 1 6 9 10 8 5 2 1 0 0 1 1 1 1 0 0 0 0 1 4 7 6 4 2 1 0 0 2 8 14 18 16 10 4 1 0 0 1 2 2 1 0 0 0 0 1 6 9 9 6 3 1 0 0 2 11 20 27 27 20 7 1 0 0 1 2 1 1 0 0 0 0 2 6 9 9 6 3 1 0 0 3 11 22 29 32 25 10 1 0 0 1 1 1 0 0 0 0 0 2 6 7 6 4 2 1 0 0 3 11 20 26 29 21 8 1 0 0 1 1 0 0 0 0 0 0 1 4 4 3 2 1 0 0 0 2 8 12 19 21 12 4 1 0 0 1 0 0 0 0 0 0 0 1 3 2 1 1 0 0 0 0 2 5 6 9 11 5 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 !Region 3: Section 4->6 1 3 5 6 5 3 2 1 0 1 2 4 6 5 3 2 1 0 0 1 2 4 3 2 2 1 0 1 5 11 17 19 11 4 1 0 1 4 10 18 21 13 5 2 1 1 2 6 11 12 9 5 3 1 2 8 19 33 39 25 8 2 0 1 7 20 43 47 28 9 3 1 1 4 13 34 32 18 8 4 1 2 10 31 52 66 51 16 3 0 2 10 36 72 80 54 17 4 1 1 7 29 67 61 31 12 4 1 2 12 39 63 82 69 26 3 0 2 15 52 91100 72 26 5 1 2 15 47 86 75 42 14 4 1 3 13 38 64 81 62 24 3 0 2 18 53 88 98 68 25 4 1 2 21 53 78 68 40 13 3 1 2 9 24 50 62 37 11 2 0 2 13 37 66 72 42 13 3 0 2 16 40 54 46 25 8 2 0 2 5 11 26 34 16 5 1 0 1 6 17 35 40 21 6 2 0 1 6 18 29 25 14 5 1 0 0 2 3 6 7 4 1 0 0 0 2 4 9 10 6 2 1 0 0 1 4 8 7 4 2 1 0 !Region 3: Section 7->9 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 1 1 3 4 3 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 13 12 8 5 3 1 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 11 29 28 14 6 3 1 0 0 1 4 6 3 2 1 0 0 0 0 1 1 1 0 0 0 1 6 21 38 35 18 7 3 1 0 1 3 6 7 4 2 1 0 0 0 0 1 1 1 0 0 0 1 10 25 34 29 16 6 2 0 0 1 4 5 5 3 1 1 0 0 0 1 1 1 0 0 0 0 1 8 19 23 19 10 4 1 0 0 1 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 8 12 9 5 2 1 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 39.25 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.176 Region 4 Sum = 8314.27; Maximum = 150.964; FM = 0.684 !Region 4: Section 1->3 0 1 0 0 1 0 0 0 0 2 3 2 1 1 0 0 0 0 4 8 10 5 3 1 0 0 0 1 1 1 1 0 0 0 0 0 4 8 5 3 1 1 1 0 0 8 19 17 12 5 2 1 0 0 1 1 0 0 0 0 0 0 0 4 8 4 2 1 1 1 1 0 9 21 16 11 6 3 1 1 0 1 0 0 0 0 0 0 0 0 4 5 2 1 1 1 0 1 0 7 16 12 9 5 3 1 1 0 0 0 0 0 0 0 0 0 0 2 4 2 1 1 1 1 0 0 5 11 9 7 4 2 1 0 0 0 0 0 0 1 1 0 0 0 2 3 1 1 1 1 1 -1 0 3 7 6 5 3 3 1 0 0 0 0 0 0 0 0 0 -1 0 1 2 1 0 1 1 0 -1 0 3 5 4 3 2 2 1 0 0 0 0 1 0 0 0 0 -1 0 1 1 1 1 1 1 1 0 0 2 4 2 2 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 !Region 4: Section 4->6 7 20 23 20 10 3 1 0 0 8 26 28 29 17 6 3 1 0 4 13 14 16 12 5 3 2 0 15 48 54 46 22 9 3 1 0 18 61 76 72 39 17 7 2 1 9 28 39 41 27 14 8 4 1 15 49 57 54 30 12 4 2 0 17 61 83 89 54 24 10 3 0 8 29 43 50 37 19 9 4 1 11 39 52 58 36 16 5 1 0 12 50 81100 70 34 11 2 0 6 24 42 58 49 25 9 2 0 7 28 43 54 37 18 6 1 1 7 36 68 97 77 38 12 2 1 3 18 36 57 54 29 10 2 1 5 17 30 43 32 18 7 1 0 4 22 47 78 68 37 14 2 1 2 11 25 45 48 27 10 2 0 4 11 18 28 25 15 6 1 0 3 14 29 54 54 31 13 3 1 1 7 16 33 38 22 9 2 0 3 9 11 17 17 11 5 1 0 3 11 19 32 36 23 11 2 0 1 5 11 19 25 17 8 2 0 1 4 4 7 6 4 3 1 0 1 5 6 11 13 9 5 1 0 1 3 4 6 9 7 3 1 0 !Region 4: Section 7->9 0 2 2 3 3 2 2 3 1 0 0 0 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 1 4 6 7 7 6 5 5 2 0 1 1 1 2 2 2 2 1 0 1 0 0 1 0 0 0 0 1 4 6 8 10 7 5 3 1 0 1 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 1 3 6 9 13 9 4 1 1 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 -1 -1 0 1 3 5 10 15 10 4 2 0 1 1 0 1 3 2 1 1 0 0 0 0 -1 0 -1 0 0 0 0 2 4 9 14 9 4 2 0 0 1 1 1 2 1 1 1 0 0 0 0 0 0 -1 0 0 0 0 1 3 6 11 7 3 2 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 6 6 3 1 0 0 1 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 22.33 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 5 Sum = 2949.63; Maximum = 55.2308; FM = 0.427 !Region 5: Section 1->3 0 1 0 0 -1 -1 -1 1 0 1 1 1 0 0 0 0 1 0 3 3 2 1 0 0 0 -1 0 1 0 0 0 -1 -1 0 0 0 3 4 0 1 1 0 0 0 0 11 13 3 4 3 0 -1 -2 0 1 0 1 1 0 -1 1 0 0 4 5 3 1 1 -1 0 0 1 11 18 9 5 4 -1 -1 0 1 0 2 2 0 -1 -2 -1 -1 0 4 7 4 0 0 -1 0 -1 0 13 19 8 2 3 1 1 0 1 0 1 0 0 -1 -2 0 -1 0 3 7 3 1 0 -1 0 -1 0 12 19 10 3 3 1 1 0 0 -1 -1 0 0 -1 0 -1 -2 0 2 3 2 0 0 0 -1 -1 0 10 16 10 3 1 -1 0 2 0 0 -2 0 0 -1 0 -1 0 0 2 1 2 0 0 0 0 1 0 7 12 8 1 1 1 1 3 0 0 -1 -1 -1 0 -1 -1 -1 0 1 1 0 -1 0 -1 -1 -1 0 3 6 4 0 0 1 -1 -1 0 0 -1 0 -1 0 -1 -1 0 0 0 0 0 0 -1 0 0 0 0 1 3 2 0 -1 1 0 -1 0 !Region 5: Section 4->6 6 9 8 5 2 1 0 -1 0 9 27 26 17 9 3 0 1 0 8 29 28 21 11 4 0 2 0 17 29 19 10 6 1 -1 -2 0 32 76 64 35 20 6 0 0 -1 32 81 70 44 26 8 0 -1 0 19 36 28 17 9 2 0 -1 0 35 87 87 50 30 11 2 -1 -1 34 91 95 57 36 15 3 -1 0 21 37 28 17 12 4 1 0 0 32 80 91 62 36 17 3 0 0 27 79100 69 41 22 5 0 0 19 36 31 19 12 5 2 0 0 23 64 84 64 37 18 6 0 -1 18 56 86 68 40 22 8 0 0 14 31 26 16 10 4 1 2 1 14 43 60 53 35 17 8 3 1 10 34 57 57 38 21 9 4 1 10 23 19 10 9 5 3 3 0 7 28 39 36 29 17 9 2 -1 3 19 36 38 31 19 10 2 -1 6 14 11 7 7 4 1 0 0 6 18 23 27 27 12 6 3 0 3 12 20 28 29 14 6 4 1 2 5 4 3 2 2 0 0 0 1 6 8 10 9 5 2 1 0 0 4 8 10 10 7 3 2 1 !Region 5: Section 7->9 2 8 9 8 5 1 0 1 0 0 -1 1 1 1 0 0 0 0 0 -1 1 0 0 0 0 0 0 9 25 23 19 12 3 0 0 0 0 0 2 3 3 1 0 0 -1 0 0 1 0 1 0 0 0 -1 9 29 30 23 15 6 2 -1 -1 0 3 0 3 1 0 0 -2 -2 0 1 0 0 -1 0 0 -1 -1 8 25 32 25 16 11 2 0 0 1 2 2 3 2 1 -1 0 -1 0 1 0 1 0 -1 -1 0 0 4 16 27 21 15 9 3 0 1 -1 1 2 -2 1 -1 -1 -1 0 -1 0 1 -1 0 -1 -1 -1 0 2 11 17 17 13 8 4 1 0 0 3 0 -1 2 1 1 -1 0 0 1 -1 -1 0 0 0 0 0 0 6 11 11 10 6 3 0 -1 0 1 0 -2 1 -1 -1 -2 -1 0 0 0 -1 1 0 -1 -1 -1 0 2 5 9 10 6 2 2 1 -1 -2 -1 1 1 1 -1 -1 0 -1 -1 -1 -1 -1 0 0 -1 0 0 2 2 3 3 3 1 2 1 0 1 1 0 1 1 -1 0 0 0 0 0 0 0 0 -1 0 0 I/Sigma = 19.57 Thresh = 0.020 Blend = F #Contributing = 4 InitialProfileWt = 0.586 Region 6 Sum = 1781.77; Maximum = 29.5221; FM = 0.408 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 -1 1 1 1 1 0 1 1 1 -1 3 4 2 2 0 1 3 1 0 0 0 0 -1 -1 0 0 0 -1 3 3 2 2 0 0 0 0 -1 6 8 6 5 3 2 2 1 -1 0 -1 -1 0 0 1 0 0 -1 2 4 0 1 1 3 1 0 -1 9 14 3 5 4 4 2 2 1 0 0 0 0 1 -1 -1 -1 -1 3 2 0 1 2 0 0 1 -1 12 12 5 6 3 2 2 3 0 0 -1 -1 0 1 0 0 -2 0 3 3 1 1 2 1 1 -3 0 14 16 11 4 4 4 2 -1 0 0 0 -1 0 -1 0 -1 -1 0 4 5 1 0 -1 1 -1 -2 0 15 18 11 5 1 4 0 -1 -1 0 0 1 0 -1 0 0 0 0 5 6 1 1 -1 -1 0 1 1 17 19 5 7 0 1 1 1 1 0 0 -1 0 0 0 0 0 0 3 4 1 2 1 0 -1 1 1 11 13 8 9 4 1 -1 1 0 0 0 0 0 0 0 -1 0 0 2 3 1 0 0 1 -1 0 0 7 8 5 3 2 1 0 0 0 !Region 6: Section 4->6 8 8 7 4 2 1 2 0 -1 15 28 26 18 10 3 1 0 -1 14 33 31 25 14 6 1 -1 0 13 21 16 10 7 3 2 1 0 25 58 55 38 25 8 2 2 1 24 66 70 58 37 13 3 2 1 20 31 18 13 8 4 2 1 1 34 74 67 46 25 11 3 2 0 28 78 88 71 39 18 6 4 0 23 31 23 14 6 3 3 2 0 32 71 80 47 24 11 3 2 0 24 70100 69 38 19 4 1 -1 25 35 32 14 7 4 2 1 -1 31 69 70 48 31 12 4 3 0 21 66 77 64 50 21 7 3 0 25 35 27 18 8 5 4 1 -1 24 54 54 52 34 15 9 3 0 13 47 53 65 53 24 12 5 1 25 31 18 19 7 3 2 1 0 22 42 44 51 35 15 9 5 0 10 33 45 62 51 26 14 10 1 18 24 18 21 9 2 1 0 0 17 32 32 40 34 11 7 2 0 8 22 31 42 48 19 12 3 0 9 10 6 8 5 1 1 0 0 6 10 10 18 15 6 4 1 1 2 6 11 20 19 10 6 2 1 !Region 6: Section 7->9 4 12 12 10 6 2 0 -2 -1 1 1 1 -1 1 1 -1 -1 0 1 1 0 -2 1 1 -1 0 1 7 22 28 29 15 4 1 0 -1 1 2 3 4 0 -2 -1 0 -1 1 1 0 0 -1 -1 0 0 0 7 24 35 35 19 8 3 0 -1 1 2 5 4 1 -1 0 -2 -1 1 1 2 0 -2 -1 0 -1 0 5 20 38 32 18 9 0 -3 -1 0 1 4 3 3 0 -3 -4 -1 0 1 1 -2 0 -1 -2 -2 0 4 18 27 26 23 11 4 0 0 0 -1 0 1 2 -1 0 1 0 0 0 -1 -1 0 -2 0 2 1 2 11 16 24 25 13 6 3 0 -1 -4 -1 0 2 0 2 2 -1 -1 -3 -2 -2 -1 -1 1 0 0 1 10 13 21 21 13 8 5 0 -1 0 -1 -1 4 2 2 1 -1 -1 -1 0 -1 2 0 1 1 0 1 6 10 15 19 10 7 2 0 0 1 2 1 2 4 2 3 1 -1 0 2 0 1 3 0 2 1 1 1 5 8 7 5 3 2 1 1 0 1 1 0 0 1 2 1 1 0 0 1 -1 -1 0 1 1 I/Sigma = 18.37 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.393 Region 7 Sum = 1994.93; Maximum = 28.0653; FM = 0.351 !Region 7: Section 1->3 0 -1 0 2 0 0 1 0 0 1 1 0 1 3 1 1 0 0 5 7 2 2 3 2 1 1 1 0 -1 0 1 2 -1 1 0 0 2 2 0 0 2 0 2 1 0 10 15 4 2 2 2 4 4 1 1 1 0 0 1 -3 -1 1 0 3 2 2 1 3 -2 1 1 1 12 13 11 5 7 1 2 0 0 1 0 -1 -1 2 -2 -3 1 1 3 3 1 1 2 0 -3 1 1 12 17 14 7 4 3 -1 1 0 0 1 0 -1 2 1 -1 -1 1 3 5 3 1 1 2 -1 -1 0 15 21 14 7 3 2 -1 0 0 1 1 0 1 -1 0 -1 -1 0 4 6 3 4 -2 1 0 0 0 17 26 11 7 2 3 1 2 0 -1 -1 1 1 -1 0 0 -1 1 2 4 4 4 -1 1 0 0 0 12 22 15 8 2 1 2 2 -2 -1 0 1 -1 -1 0 0 1 0 2 4 2 1 0 1 -1 -1 -1 12 20 10 9 2 2 0 -2 -2 1 1 0 -1 -1 -2 -1 0 0 2 3 2 -1 0 -1 -1 -1 -1 2 10 7 2 2 1 -1 -2 -2 !Region 7: Section 4->6 9 16 10 6 4 2 1 0 0 16 34 31 20 10 4 2 -1 0 17 36 36 27 12 5 4 -1 0 21 35 20 11 6 4 3 3 0 39 78 63 40 18 10 3 0 -1 37 84 77 52 22 12 6 0 -1 26 40 32 16 10 4 2 1 0 45 92 85 51 24 13 4 0 0 40 94 97 65 36 18 6 1 0 28 45 36 22 9 6 1 1 0 52100 84 59 27 14 7 2 0 46 98 88 67 37 20 9 2 1 30 49 36 20 11 5 2 2 0 47 91 80 59 32 15 7 2 1 39 82 83 73 41 22 9 2 2 30 51 33 19 13 5 2 2 0 38 79 79 62 40 14 5 2 1 28 65 77 74 51 22 9 5 2 24 44 36 20 9 3 3 3 -1 30 66 75 59 30 14 7 3 0 21 53 71 70 39 18 10 4 1 20 40 29 20 9 5 2 0 -1 23 59 64 48 30 18 9 2 1 18 50 62 55 39 25 17 5 1 3 19 16 9 4 3 0 -1 -1 3 24 27 24 14 9 4 0 -1 3 20 24 26 19 13 8 2 -1 !Region 7: Section 7->9 4 13 13 10 4 2 2 -1 0 -2 0 1 0 0 -1 -1 0 0 -2 -1 0 0 -1 0 -1 0 0 10 27 28 20 9 4 3 0 -1 -3 1 2 1 0 -3 0 0 -1 -3 -1 0 1 -1 -3 -1 0 0 10 28 32 24 15 6 3 1 1 -1 1 0 -2 -2 -1 2 2 0 -1 -1 -1 -2 -3 0 2 2 0 11 27 27 22 15 9 5 1 0 -1 0 0 -1 -1 1 1 -2 -1 -1 -2 0 -1 -1 0 -1 -2 -1 10 23 26 26 17 9 6 0 0 1 4 0 -1 0 -1 1 -1 -3 0 2 -1 -2 -1 -1 -1 -1 -2 6 15 20 26 20 9 4 3 1 0 0 -4 1 0 0 -2 2 0 -1 -1 -5 -1 -2 1 -3 1 0 5 11 17 24 16 8 5 1 0 0 -4 -6 -1 1 2 0 -4 -2 -2 -4 -6 -2 0 0 -2 -3 -2 5 12 16 18 13 10 9 3 0 0 -3 -3 0 -1 -1 1 -1 -1 -1 -3 -3 0 -1 -2 0 -1 -1 1 6 8 8 7 6 5 1 -1 0 1 0 0 -2 0 1 0 -1 0 0 -1 0 -3 -1 0 0 -1 I/Sigma = 28.95 Thresh = 0.020 Blend = F #Contributing = 12 InitialProfileWt = 0.393 Region 8 Sum = 3927.27; Maximum = 65.954; FM = 0.327 !Region 8: Section 1->3 0 0 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 3 6 3 2 2 1 1 0 0 0 0 0 1 1 1 1 0 0 2 2 1 1 3 2 2 1 0 9 14 8 4 4 3 2 1 0 0 0 0 1 2 1 1 0 0 1 3 2 1 2 2 2 1 0 11 19 11 6 3 3 2 2 0 0 0 1 1 2 1 0 0 0 2 4 4 3 2 1 0 1 0 15 25 17 9 5 1 1 1 0 1 2 2 2 2 1 0 0 0 4 6 4 4 4 2 0 1 1 20 33 20 12 7 3 1 1 0 1 1 1 1 2 1 0 0 1 4 8 5 5 4 3 1 0 1 25 41 25 16 9 5 1 0 0 0 1 0 0 0 1 1 2 1 6 10 5 4 2 2 1 2 1 31 51 28 18 8 4 1 0 0 0 1 1 1 1 1 1 1 1 8 11 7 5 4 2 2 3 1 36 56 30 18 8 4 2 2 1 0 0 0 1 1 0 0 0 0 5 5 3 3 2 1 1 1 0 21 25 14 8 3 2 2 1 0 !Region 8: Section 4->6 5 17 9 6 4 1 0 0 0 4 16 10 7 5 2 0 0 0 1 5 4 4 2 1 0 0 0 17 33 23 17 9 4 1 1 0 13 33 28 20 11 5 1 1 1 4 13 13 10 6 3 2 2 1 25 46 33 20 11 5 3 2 1 22 47 39 27 14 8 3 2 1 8 19 18 16 8 7 3 2 1 34 61 44 27 16 5 2 2 1 30 61 50 35 22 10 4 2 1 10 25 24 21 13 8 4 4 1 41 79 56 35 19 8 3 1 1 33 74 62 49 28 13 4 2 1 10 27 29 31 21 13 6 3 1 52 92 60 43 22 11 3 1 0 39 81 64 55 32 18 6 2 1 9 27 30 34 26 17 7 4 2 56100 63 45 27 13 4 1 0 38 77 63 55 40 23 8 4 1 8 22 28 32 28 22 11 5 1 55 99 62 43 26 13 6 2 1 33 69 59 55 42 25 9 4 1 6 20 25 33 31 24 12 7 2 28 45 27 20 10 6 3 1 0 14 32 23 29 17 11 5 2 1 3 8 9 19 13 11 5 4 1 !Region 8: Section 7->9 0 1 1 1 0 0 0 0 0 0 0 0 0 -1 -1 -1 -1 0 0 0 -1 -1 0 -1 0 -1 0 0 1 2 4 1 1 1 1 1 0 0 0 1 0 -1 0 0 0 0 0 0 0 -1 -1 -1 -1 0 1 2 3 5 3 3 2 2 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 -1 0 0 0 1 4 4 6 4 4 3 3 1 1 1 0 1 1 1 1 2 1 1 1 0 0 0 0 0 1 0 1 4 5 8 9 8 5 5 1 0 1 1 1 2 3 2 2 0 0 1 0 0 0 1 1 0 0 0 3 5 9 12 9 6 5 2 0 0 0 0 2 2 2 2 1 0 0 0 -1 -1 0 0 0 0 0 2 5 9 10 12 9 5 2 -1 0 0 1 1 3 3 2 1 0 -1 0 -1 -1 0 1 0 0 0 3 4 8 10 12 10 7 2 -1 0 0 0 1 3 3 3 1 -1 -1 -1 -1 -1 0 0 0 0 0 1 2 4 3 5 3 5 2 0 0 1 0 0 1 1 3 1 0 0 0 0 -1 0 0 1 0 I/Sigma = 104.84 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.079 Region 9 Sum = 51339.9; Maximum = 670.026; FM = 0.553 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 0 0 1 4 3 2 1 1 1 1 0 1 2 1 1 0 0 0 0 0 3 6 6 4 2 2 1 1 0 4 10 10 7 4 3 2 1 1 1 3 2 2 1 0 0 0 0 4 10 11 10 6 3 2 1 0 6 16 19 18 15 9 4 2 1 2 4 5 5 2 1 0 0 0 6 17 21 22 16 8 4 2 0 10 29 37 42 38 24 11 4 1 2 6 7 6 3 1 1 0 0 8 24 32 34 27 16 7 2 1 13 41 58 70 66 46 23 8 2 2 6 7 6 4 2 1 0 0 11 28 37 40 34 22 10 3 1 18 50 74 90 85 61 32 12 2 2 5 6 5 4 2 1 0 0 8 25 35 40 36 24 12 4 1 15 48 76 96 92 64 35 13 2 1 3 4 4 3 2 1 0 0 7 21 30 34 30 20 10 4 1 14 44 70 85 79 56 30 12 2 1 1 1 1 1 1 0 0 0 2 6 9 14 13 8 4 1 0 3 11 17 36 35 24 11 4 1 !Region 9: Section 4->6 1 3 2 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 0 3 8 9 7 5 4 3 1 0 2 4 5 5 4 4 4 2 0 0 1 2 2 3 4 4 3 1 4 13 17 18 17 13 7 3 1 2 6 10 12 14 14 10 5 1 0 2 5 6 8 10 9 6 2 7 22 32 42 44 33 18 7 1 2 9 17 27 31 28 21 11 2 1 3 7 12 16 17 17 12 3 11 34 55 73 75 59 36 16 3 4 14 31 46 50 46 36 20 4 1 4 11 19 23 25 24 17 5 13 38 64 90 95 77 50 23 4 4 13 29 51 63 59 48 27 5 1 3 9 21 29 32 29 19 5 11 37 64 91100 78 50 22 4 3 11 23 44 63 61 46 24 5 0 2 6 17 28 32 27 17 4 10 34 57 78 83 66 38 17 3 3 9 17 32 47 47 32 17 3 0 2 4 10 20 24 20 13 3 2 7 12 30 33 25 13 5 1 0 1 3 9 14 15 10 5 1 0 0 1 3 6 8 6 4 1 !Region 9: Section 7->9 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 3 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 6 6 2 0 0 0 0 1 1 3 3 2 0 0 0 0 0 0 1 1 0 0 0 1 3 5 7 9 10 4 0 0 0 0 1 2 4 5 3 0 0 0 0 0 0 1 1 1 0 0 2 4 6 9 11 11 5 0 0 0 0 1 3 4 6 3 0 0 0 0 0 0 1 1 1 0 0 1 4 6 10 11 10 4 0 0 0 0 1 2 4 5 2 0 0 0 0 0 0 1 1 0 0 0 1 3 6 8 10 9 4 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 1 0 0 0 1 2 4 6 7 6 3 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (202 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 202 0 202 6.1987 0.8962 14.288 118.673 Orientation ('UB') matrix: 0.1441084 0.0358704 -0.0041402 0.0299833 -0.0025554 0.0771548 0.0660218 -0.0771352 -0.0044814 A B C Alpha Beta Gamma Vol 6.2393 11.7500 13.0051 90.000 96.534 90.000 947.23 0.0006 0.0012 0.0010 0.000 0.005 0.000 0.21 Corrected for goodness of fit: 0.0018 0.0034 0.0027 0.000 0.015 0.000 0.61 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.035 96.036 24.301 Goniometer zeros (deg): 0.0000* 0.1444 0.0000* 0.0655 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7299 -0.0766 0.0698 -0.2186 -0.1773 0.8142 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.08352e+04 4.63172e+03 2.85 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 202 202 181 Average input ESD (pix, pix, deg): 0.19128 0.14725 0.06104 Goodness of fit: 3.24952 2.60071 2.50134 Average missing volume: 0.036 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:45 Current XYZ spot size: 0.780 0.780 2.270 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.93% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.78 0.78 2.27 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 19 0.78 0.78 2.27 1.000 2_0003 3 -1.00 0.15 0.19 2.00 0.22 0.32 2540.2 10 33 0.41 22 0.78 0.78 2.27 1.000 3_0004 9 0.01 -0.13 0.06 0.29 0.25 0.16 25377 40 0 0.56 27 0.78 0.78 2.27 1.000 4_0005 2 0.03 -0.06 -0.01 0.12 0.09 0.02 57194 63 0 0.59 27 0.78 0.78 2.27 1.000 5_0006 10 0.10 -0.07 0.06 0.36 0.13 0.12 32000 48 0 0.68 28 0.78 0.78 2.27 1.000 6_0007 7 0.14 0.01 0.08 0.40 0.06 0.28 18590 38 0 0.57 26 0.78 0.78 2.27 1.000 7_0008 4 0.15 -0.15 -0.01 0.18 0.17 0.05 29974 37 0 0.75 35 0.78 0.78 2.27 1.000 8_0009 11 0.24 -0.16 -0.06 0.58 0.55 0.24 51085 57 0 0.80 28 0.78 0.78 2.27 1.000 9_0010 8 0.16 0.04 0.02 0.20 0.08 0.03 21246 34 0 0.70 30 0.78 0.78 2.27 1.000 10_0011 12 0.12 0.00 0.03 0.29 0.17 0.09 38047 46 0 0.69 28 0.78 0.78 2.27 1.000 11_0012 15 0.07 0.04 0.05 0.21 0.11 0.13 27629 42 7 0.72 27 0.78 0.78 2.27 1.000 12_0013 11 -0.03 0.02 0.03 0.24 0.05 0.17 22648 41 0 0.69 25 0.78 0.78 2.27 1.000 13_0014 7 0.05 -0.00 0.05 0.15 0.16 0.15 27215 48 0 0.75 30 0.78 0.78 2.27 1.000 14_0015 11 0.20 0.02 -0.05 0.39 0.18 0.08 66907 76 9 0.76 34 0.78 0.78 2.27 1.000 15_0016 9 0.13 0.06 0.02 0.28 0.08 0.09 125674 109 0 0.78 35 0.78 0.78 2.27 1.000 16_0017 8 -0.04 0.04 0.04 0.20 0.07 0.15 37860 40 0 0.70 25 0.78 0.78 2.27 1.000 17_0018 7 -0.01 0.04 0.22 0.06 0.05 0.33 26178 39 0 0.75 25 0.78 0.78 2.27 1.000 18_0019 11 0.19 -0.09 -0.00 0.34 0.23 0.08 28013 39 9 0.61 27 0.78 0.78 2.27 1.000 19_0020 11 0.03 -0.02 0.01 0.11 0.08 0.09 112471 83 0 0.74 28 0.78 0.78 2.27 1.000 Background pixels updated = 92.77% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 5 0.03 -0.04 0.08 0.14 0.12 0.10 21129 38 0 0.58 28 0.78 0.78 2.27 1.000 21_0022 8 0.03 -0.16 -0.02 0.50 0.27 0.10 23877 40 13 0.75 28 0.78 0.78 2.27 1.000 22_0023 9 0.01 -0.00 0.11 0.09 0.02 0.37 60951 63 0 0.73 24 0.78 0.78 2.27 1.000 23_0024 6 -0.11 0.02 0.05 0.18 0.07 0.09 9345.8 22 17 0.68 26 0.78 0.78 2.27 1.000 24_0025 8 0.03 -0.02 0.05 0.05 0.04 0.07 59626 58 0 0.82 27 0.78 0.78 2.27 1.000 25_0026 12 -0.09 0.05 0.04 0.32 0.09 0.08 47014 55 8 0.68 29 0.78 0.78 2.27 1.000 26_0027 5 0.36 -0.04 -0.11 0.60 0.39 0.14 12705 30 0 0.73 23 0.78 0.78 2.27 1.000 27_0028 10 0.16 -0.05 -0.05 0.41 0.28 0.14 13076 23 10 0.69 26 0.78 0.78 2.27 1.000 28_0029 6 0.11 0.00 -0.00 0.18 0.12 0.10 15679 30 0 0.77 27 0.78 0.78 2.27 1.000 29_0030 10 0.37 -0.10 -0.04 0.75 0.44 0.15 39642 54 0 0.80 28 0.78 0.78 2.27 1.000 I/Sigma = 67.08 Thresh = 0.020 Blend = F #Contributing = 51 InitialProfileWt = 0.041 Region 1 Sum = 16568.7; Maximum = 240.832; FM = 0.767 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 2 4 2 1 1 0 0 0 0 4 7 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 4 6 5 3 2 1 1 1 0 8 15 12 7 4 2 1 1 0 0 1 0 0 0 0 0 0 0 6 10 7 4 2 1 1 1 0 11 21 17 10 5 3 2 2 0 0 1 0 0 0 0 0 0 0 5 9 7 3 1 1 1 1 0 10 20 18 11 5 3 2 2 0 0 0 0 0 0 0 0 0 0 8 13 10 6 3 1 1 2 0 15 28 25 17 8 4 2 2 0 0 0 0 0 0 1 0 0 0 7 11 9 6 3 2 1 1 0 13 22 20 15 8 4 2 1 0 0 0 0 0 0 0 0 0 0 4 7 7 5 3 1 1 1 0 8 16 17 12 7 4 2 1 0 0 0 0 0 0 0 0 0 0 5 8 7 5 3 1 1 1 0 9 17 16 12 7 3 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 3 3 2 2 1 1 0 0 !Region 1: Section 4->6 3 9 11 11 10 6 3 1 0 4 13 23 31 32 22 10 3 0 2 9 18 27 30 22 11 4 0 7 17 19 18 15 10 5 2 0 4 15 27 37 41 33 19 7 1 2 9 18 29 37 34 21 9 2 9 24 32 37 33 22 11 4 1 7 29 60 92100 76 39 14 2 4 19 45 76 90 74 40 15 2 8 23 31 30 25 17 9 4 1 6 23 44 60 65 54 32 14 2 3 13 29 46 57 54 35 16 3 10 26 35 38 34 27 16 8 1 5 21 46 73 89 82 54 25 4 3 12 31 56 76 76 53 26 4 9 21 30 36 32 25 15 7 1 5 19 43 72 86 76 54 26 4 3 11 29 56 74 71 54 27 5 5 14 20 23 22 18 12 6 1 2 8 20 36 48 49 39 21 4 1 4 12 25 38 44 38 23 4 5 12 17 21 22 19 15 7 1 2 7 18 37 53 57 48 24 4 1 4 12 27 44 50 46 24 4 1 3 4 4 5 4 2 1 0 1 1 2 5 8 9 6 4 1 0 1 1 3 6 9 7 5 1 !Region 1: Section 7->9 0 2 3 6 7 6 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 4 7 10 11 8 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 4 9 16 21 20 13 6 1 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 6 10 15 17 13 7 2 0 0 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 2 6 12 18 20 16 10 3 0 0 0 1 2 2 2 3 1 0 0 0 0 0 0 0 1 0 1 2 5 11 17 19 17 10 2 0 1 1 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 9 13 13 9 3 0 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 5 9 13 13 9 3 0 0 0 1 1 2 2 3 2 0 0 0 0 0 0 1 1 0 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 I/Sigma = 228.67 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.053 Region 2 Sum = 240516; Maximum = 3953.59; FM = 0.941 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 2 4 5 3 1 0 0 0 1 3 9 15 11 4 1 1 0 0 0 1 1 0 0 0 0 0 0 3 6 7 5 2 1 0 0 1 5 15 25 23 12 3 1 0 0 1 1 1 1 0 0 0 0 1 4 8 9 7 4 1 0 0 1 8 22 32 31 22 8 1 0 0 0 1 1 1 0 0 0 0 0 3 7 9 8 5 2 0 0 1 8 21 32 33 26 12 2 0 0 0 1 1 0 0 0 0 0 0 2 4 6 6 4 2 0 0 1 5 17 26 27 22 10 2 0 0 0 0 0 0 0 0 0 0 0 1 3 4 4 2 1 0 0 0 2 9 18 20 14 6 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 3 8 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 !Region 2: Section 4->6 0 1 3 6 7 2 1 0 0 0 1 2 7 9 3 1 0 0 0 0 1 4 5 2 1 0 0 1 4 15 34 33 15 4 1 0 1 3 15 37 43 22 6 1 0 0 1 6 17 24 15 5 1 0 1 8 28 60 61 35 8 2 0 1 7 30 67 75 47 13 3 0 0 3 13 33 43 30 12 3 0 2 15 48 79 79 64 25 4 1 2 17 56 96 99 81 35 7 1 1 8 28 50 56 45 23 6 1 2 19 51 77 79 71 39 9 1 2 20 60 94100 91 54 15 2 1 9 30 52 61 54 34 11 2 1 12 44 69 68 58 30 7 1 1 13 49 83 88 76 42 12 1 0 5 22 44 55 49 32 12 2 1 4 20 49 57 43 21 6 1 1 5 23 61 74 56 29 8 1 0 2 11 30 41 32 18 7 1 0 1 7 19 24 15 6 2 0 0 1 6 21 33 23 10 3 0 0 1 3 11 20 16 8 3 1 0 1 2 6 9 4 1 0 0 0 0 2 6 10 6 2 0 0 0 0 1 2 5 4 2 1 0 !Region 2: Section 7->9 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 7 4 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 10 16 13 8 3 0 0 0 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 1 7 15 20 18 13 5 1 0 0 2 4 5 6 5 2 1 0 0 0 0 0 0 0 0 0 0 2 9 19 25 23 18 8 2 0 0 2 5 7 8 7 4 1 0 0 0 0 0 0 1 0 0 0 1 5 13 20 20 18 9 2 0 0 1 3 5 6 7 4 1 0 0 0 0 0 0 1 0 0 0 0 2 8 14 13 9 5 1 0 0 0 2 4 4 4 2 1 0 0 0 0 0 0 1 0 0 0 0 1 3 8 8 5 3 1 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 175.10 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.079 Region 3 Sum = 94508.5; Maximum = 1632.45; FM = 0.965 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 2 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 2 4 4 3 1 1 0 0 1 4 8 11 10 6 2 1 0 0 0 1 1 1 0 0 0 0 1 3 6 8 5 2 1 0 0 1 5 12 20 19 14 5 1 0 0 1 1 2 1 0 0 0 0 1 4 8 9 7 3 1 0 0 1 7 17 26 28 24 9 1 0 0 1 1 1 1 0 0 0 0 1 4 8 8 7 2 1 0 0 2 8 19 28 31 26 10 2 0 0 1 1 1 0 0 0 0 0 1 4 6 5 4 2 1 0 0 2 7 14 23 24 20 7 1 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 0 0 0 1 5 7 13 16 10 3 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 1 3 3 5 7 4 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 2 1 0 0 0 !Region 3: Section 4->6 0 1 2 4 4 2 1 1 0 0 1 2 5 6 4 2 1 0 0 1 1 4 5 3 2 2 0 1 3 8 17 20 13 4 1 0 0 2 7 20 25 16 7 3 1 0 2 5 16 20 12 6 3 1 1 5 15 34 41 35 11 2 0 1 4 16 45 56 39 13 4 1 1 3 15 44 52 26 11 4 1 1 7 25 51 64 64 23 3 0 1 7 33 74 90 72 26 5 1 1 7 34 76 85 47 17 5 1 1 9 31 61 73 74 30 5 0 1 12 45 87100 86 35 7 1 1 15 51 86 90 57 22 6 1 2 8 25 56 67 60 21 4 0 1 12 40 78 90 71 27 6 1 1 16 49 72 73 47 19 5 1 1 6 12 36 48 34 10 2 0 1 7 23 52 64 46 17 4 1 1 9 30 48 50 32 14 4 1 1 4 6 14 22 15 4 1 0 1 3 9 24 34 25 10 3 1 0 3 11 23 28 20 10 3 1 1 1 2 3 6 3 1 0 0 0 1 2 5 9 6 3 1 0 0 1 2 5 7 5 2 1 0 !Region 3: Section 7->9 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 1 2 6 7 5 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 19 22 12 6 3 1 0 0 1 3 4 3 2 1 0 0 0 0 0 1 0 0 0 0 0 3 15 34 39 21 8 3 1 0 0 2 6 8 5 3 1 0 0 0 0 1 1 1 0 0 0 0 7 24 39 40 24 9 3 1 0 1 4 7 7 5 2 1 0 0 0 1 1 1 1 0 0 0 0 8 24 32 30 19 8 3 1 0 1 4 5 5 3 2 1 0 0 0 1 1 1 0 0 0 0 0 4 14 20 19 12 5 2 0 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 5 10 10 7 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 39.36 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.176 Region 4 Sum = 8841.9; Maximum = 142.986; FM = 0.805 !Region 4: Section 1->3 0 0 0 0 0 1 0 0 0 1 2 2 2 1 1 0 0 0 2 7 11 10 4 1 1 0 0 0 1 0 0 0 1 0 0 0 2 6 5 4 1 1 1 1 0 4 17 24 18 8 3 2 1 0 0 1 1 0 0 1 0 0 0 1 5 6 4 1 1 1 1 0 5 17 24 20 9 3 2 1 0 0 1 0 0 0 0 0 0 0 1 5 6 3 1 1 1 0 0 3 16 23 17 10 4 2 1 0 0 0 0 0 0 0 0 0 0 1 3 4 2 1 0 0 0 0 3 11 16 12 9 4 1 1 0 0 0 0 0 0 0 1 0 0 1 2 3 1 1 0 1 1 0 2 7 10 8 7 4 2 2 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 1 0 0 1 4 6 5 4 2 2 1 0 0 1 0 0 0 0 1 0 0 0 2 1 1 0 0 1 1 0 1 3 4 3 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 0 1 0 0 2 2 1 0 1 1 1 0 !Region 4: Section 4->6 2 10 22 22 12 5 3 1 0 1 8 23 24 19 9 7 3 1 0 3 9 13 12 8 7 4 1 6 29 50 47 29 14 5 2 0 4 27 56 61 47 29 14 6 1 1 10 24 33 30 22 15 8 2 7 29 54 57 39 18 7 3 0 4 27 62 81 69 37 16 7 1 1 10 28 45 45 28 16 9 2 5 25 52 57 48 26 10 4 1 3 22 60 88 90 54 23 10 2 1 8 27 49 59 40 22 12 2 4 18 38 49 52 33 13 5 1 2 16 47 82100 70 32 12 1 1 6 22 47 65 52 30 13 2 2 11 25 39 47 36 16 6 1 1 10 32 68 96 80 38 14 2 0 4 16 40 65 59 34 14 2 2 7 14 24 36 32 16 7 1 1 7 19 43 77 73 38 16 2 0 3 10 27 53 53 33 14 2 1 5 10 15 22 23 14 6 1 1 4 14 28 52 55 34 14 2 0 2 7 19 37 40 29 12 2 1 2 4 6 7 7 7 2 0 0 2 5 12 17 17 16 5 0 0 1 3 7 12 13 12 5 0 !Region 4: Section 7->9 0 0 1 2 2 3 4 4 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 0 0 0 0 0 2 5 6 7 8 8 2 0 0 1 1 1 2 3 5 2 0 0 1 0 0 1 1 1 0 0 1 3 7 9 9 9 8 2 0 0 1 1 1 2 3 4 1 0 0 1 0 0 0 0 0 0 0 1 3 7 12 12 12 9 2 0 0 1 0 1 3 4 4 1 0 0 0 0 0 0 0 0 0 0 1 3 7 12 15 15 9 2 0 0 0 0 1 3 4 3 1 0 0 0 0 0 0 0 0 0 0 1 3 6 13 16 17 9 2 0 1 1 1 1 3 5 4 1 0 1 1 0 0 0 0 1 0 0 2 2 5 12 15 15 7 1 0 1 1 1 2 3 4 2 1 0 0 1 0 1 0 0 0 0 0 1 1 5 9 12 12 5 1 0 0 0 2 2 3 4 2 0 0 0 0 0 1 0 0 0 0 0 1 1 2 3 3 4 2 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 I/Sigma = 27.04 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 5 Sum = 3699.32; Maximum = 44.8715; FM = 0.745 !Region 5: Section 1->3 0 0 0 0 0 0 0 -1 0 0 1 1 1 1 0 1 -1 0 0 5 7 5 1 1 2 -1 0 0 0 1 1 0 0 1 -1 0 0 2 4 2 0 0 1 -1 0 1 15 21 11 3 3 3 1 0 0 0 0 -1 -1 0 0 0 0 1 5 3 0 0 1 0 0 0 3 33 29 14 7 4 3 3 0 0 1 0 0 0 2 0 -1 0 1 8 7 2 2 2 0 -1 0 4 39 42 23 13 5 3 2 0 0 0 1 0 1 1 -1 -1 0 1 5 6 4 3 2 -1 -1 0 4 31 35 25 12 6 2 2 0 0 0 1 2 0 0 -1 -1 0 0 3 5 4 2 2 -1 -1 0 2 21 28 21 13 8 3 1 0 0 0 1 2 1 1 0 -1 0 0 4 3 4 2 1 0 0 0 2 19 21 16 14 6 2 0 0 0 1 1 0 0 1 0 0 0 0 3 2 1 1 1 1 0 0 1 10 11 11 9 5 2 0 0 0 1 1 0 -1 0 0 0 0 0 1 1 1 -1 1 0 0 0 0 2 3 3 3 1 1 0 0 !Region 5: Section 4->6 1 9 15 11 4 3 3 -1 0 1 8 24 21 14 12 6 1 0 0 4 22 22 19 18 9 4 1 2 32 46 29 13 11 5 2 0 3 38 70 60 42 34 19 7 1 1 24 63 65 57 49 33 15 1 6 58 60 41 23 16 9 5 1 5 52 76 82 67 49 30 12 1 2 29 58 84 84 65 50 22 1 7 63 74 54 35 20 14 6 1 5 46 74 86 85 65 39 18 2 1 19 46 78100 86 55 31 3 6 51 65 53 34 23 15 8 1 4 34 61 77 84 74 44 25 2 1 11 32 63 95 96 56 35 3 4 34 51 46 36 27 15 9 1 2 21 41 56 70 73 45 26 2 1 7 17 37 68 87 58 33 3 3 26 35 32 35 26 13 7 1 1 14 27 35 54 58 43 26 2 0 6 12 20 43 58 54 33 3 2 14 20 23 25 20 10 5 0 1 10 17 26 40 41 35 17 1 1 5 7 15 31 38 43 22 2 0 4 6 8 8 6 5 1 0 0 3 5 11 15 17 14 4 0 0 1 1 6 13 17 17 5 0 !Region 5: Section 7->9 0 1 8 9 10 11 8 4 1 0 0 2 0 2 2 3 1 0 0 0 1 0 1 0 0 0 0 0 7 22 26 26 27 24 11 1 0 0 1 1 3 4 8 3 0 0 0 1 -1 1 1 2 0 0 0 8 17 31 36 33 35 18 1 0 0 -1 2 3 4 10 7 1 0 -1 -1 1 1 1 2 2 0 0 5 13 29 41 42 36 23 2 0 1 1 4 4 5 10 6 0 0 0 1 2 1 1 1 0 0 0 3 9 22 38 44 31 21 2 0 0 1 2 4 4 7 5 1 0 0 0 0 2 0 1 0 0 0 2 6 11 24 36 28 18 1 0 1 2 2 1 2 4 2 0 0 0 0 1 0 -1 0 0 0 0 2 3 5 14 22 25 16 1 0 0 -1 1 2 0 2 3 0 0 0 -1 1 0 -1 0 1 0 0 3 1 3 11 13 18 11 1 0 1 -2 -2 2 0 1 1 0 0 0 -1 -2 0 -1 -1 0 0 0 1 0 1 4 6 7 3 0 0 1 -1 -1 1 0 1 0 0 0 0 -1 -1 0 0 0 0 0 I/Sigma = 26.13 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 2607.17; Maximum = 27.237; FM = 0.627 !Region 6: Section 1->3 0 0 0 1 0 1 1 1 0 1 5 3 3 1 1 1 1 0 2 17 15 7 4 3 3 1 0 0 0 0 2 1 1 2 0 0 1 6 5 4 4 3 3 0 0 4 31 26 16 9 6 4 1 0 0 1 1 1 2 -1 2 1 0 1 8 6 4 4 1 2 1 0 5 34 31 21 11 10 3 3 0 0 3 3 2 -1 0 1 0 0 1 11 13 6 1 1 1 0 0 5 41 44 25 12 8 3 2 0 0 3 3 2 1 1 0 0 0 2 14 14 8 2 1 0 1 0 6 48 48 31 15 10 6 2 0 0 0 0 2 1 0 1 0 0 2 15 11 8 4 2 1 -1 -1 6 52 44 34 22 16 10 1 -1 0 2 2 1 -1 -1 3 0 0 2 15 11 8 5 1 3 1 0 5 45 40 33 22 13 7 4 0 0 1 2 1 -1 0 0 0 0 1 10 12 8 3 1 1 1 0 3 30 36 26 16 10 7 5 0 0 0 1 0 0 -1 0 0 0 0 3 5 3 1 0 1 0 0 1 12 14 11 7 5 5 2 0 !Region 6: Section 4->6 3 23 28 13 6 5 3 2 0 2 14 24 14 19 22 14 10 1 0 4 11 11 31 43 32 19 2 6 49 48 37 17 12 4 3 0 4 36 47 55 44 47 29 18 2 1 13 34 55 64 81 60 37 5 7 56 57 45 25 24 8 7 1 5 41 54 58 55 64 38 23 2 1 16 37 55 70 97 74 44 5 7 66 69 52 32 21 11 7 0 4 42 53 59 58 64 45 25 2 1 11 26 48 67100 81 44 4 7 67 72 58 36 27 19 6 0 4 40 50 53 59 62 47 24 2 1 11 19 32 63 85 71 44 5 8 65 62 65 48 36 27 7 0 4 36 39 52 58 59 51 29 3 1 11 12 21 51 71 66 49 5 6 52 58 58 40 29 18 9 0 3 27 35 44 47 46 40 29 3 1 8 7 15 39 51 54 48 6 3 33 50 40 30 25 18 10 1 1 16 31 32 34 38 37 28 4 1 5 7 15 28 39 49 45 6 2 17 17 16 12 10 9 4 0 1 9 11 12 11 13 16 13 1 0 2 4 5 7 14 22 21 3 !Region 6: Section 7->9 0 0 3 5 19 29 27 11 1 1 1 1 1 3 6 8 2 0 1 1 1 0 0 0 -1 0 0 0 3 13 22 31 47 43 27 3 1 0 1 1 4 10 13 7 0 1 1 0 -1 0 1 1 0 -1 0 5 14 22 31 52 54 33 3 0 1 1 1 4 10 16 10 1 0 1 0 0 2 2 2 0 0 0 3 9 19 28 52 57 30 2 0 0 1 1 2 8 15 9 1 0 0 0 -1 0 1 0 2 0 0 3 5 12 25 42 42 28 2 0 1 1 2 0 4 7 6 0 0 1 1 0 0 -1 0 0 0 0 2 4 6 19 34 34 30 3 0 -1 2 0 -1 2 4 6 0 0 0 1 -1 -2 -2 0 1 0 0 2 1 4 15 22 24 28 3 0 0 1 0 0 2 0 7 1 0 -1 0 -1 -2 0 -2 3 0 0 2 1 7 14 19 24 27 3 0 0 0 2 2 3 2 5 0 0 -1 -1 -1 -1 0 -1 1 0 0 0 1 2 5 8 11 11 1 0 0 0 1 2 1 1 3 0 0 0 0 0 0 0 -1 1 0 I/Sigma = 24.36 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 7 Sum = 2869.2; Maximum = 28.0795; FM = 0.603 !Region 7: Section 1->3 0 0 1 1 0 1 2 1 0 0 1 2 2 1 0 1 0 0 1 8 9 8 6 2 1 1 0 0 0 2 2 0 3 0 1 0 1 3 5 6 3 1 1 2 0 4 21 24 17 12 6 3 2 0 0 1 3 3 0 2 1 1 0 1 6 8 7 3 2 2 3 0 5 34 32 21 13 6 7 6 1 0 0 1 0 -1 -1 0 -1 0 1 7 6 3 0 0 1 -1 0 6 40 36 28 16 9 9 3 0 0 0 2 -1 0 1 2 1 0 1 6 9 4 3 2 4 3 0 6 44 45 28 19 10 9 4 0 0 0 1 1 1 1 1 1 0 1 6 6 6 4 2 3 3 0 6 43 42 32 18 11 6 4 1 0 0 2 1 0 1 -2 -2 0 1 6 7 4 3 1 -3 -1 0 5 40 42 29 17 9 5 3 0 0 1 1 0 2 2 0 0 0 1 7 7 2 2 2 0 0 0 3 29 39 23 16 11 5 3 0 0 0 0 2 3 1 0 0 0 0 3 4 3 3 1 1 1 0 1 10 14 8 5 4 2 1 0 !Region 7: Section 4->6 3 17 21 20 16 8 4 1 0 2 14 20 22 25 19 11 5 0 0 6 13 17 32 33 20 9 1 7 43 56 43 35 23 13 5 1 4 33 53 52 55 47 31 14 2 0 11 31 43 60 78 57 32 4 10 75 79 54 38 23 21 11 2 6 57 73 66 64 54 41 20 2 1 14 31 53 78 83 66 39 5 11 84 83 67 48 30 24 9 1 7 63 67 68 70 58 43 23 2 1 14 22 45 75 76 68 42 5 13 99 97 69 52 32 20 9 0 9 75 79 68 66 53 40 25 3 2 18 29 36 55 61 67 51 7 13 93100 70 45 32 18 8 1 8 67 82 61 50 51 39 24 4 1 15 25 25 34 57 60 47 7 10 81 94 70 42 31 20 9 1 6 59 73 61 46 46 37 21 3 1 13 19 23 32 50 54 38 6 4 52 83 57 42 31 17 8 1 2 34 62 49 42 40 29 18 2 1 9 19 18 27 41 41 34 5 1 11 25 19 15 12 6 3 0 0 5 19 19 18 16 11 6 1 0 1 7 11 14 17 16 11 1 !Region 7: Section 7->9 0 2 7 9 18 23 14 5 0 0 0 1 1 2 5 3 0 0 0 0 -1 -1 0 1 0 0 0 0 3 13 19 31 55 41 24 3 0 2 2 1 3 11 7 5 0 0 1 0 -1 0 0 -1 0 0 0 1 8 22 41 50 45 31 4 0 1 0 1 4 8 7 7 1 0 1 -2 -1 0 1 -1 0 0 0 0 3 16 35 42 49 31 4 0 0 -1 0 5 6 10 6 1 0 1 -1 0 2 1 0 -1 0 0 3 9 13 24 33 47 38 5 0 1 3 2 3 5 10 7 1 0 0 1 1 0 0 1 -1 0 1 4 5 8 14 31 40 33 5 0 3 1 2 0 3 8 7 1 0 1 1 1 -3 -1 1 1 0 0 3 3 5 13 27 35 28 4 0 2 0 0 -1 3 6 6 1 0 0 -1 -1 -2 -1 0 0 0 1 3 7 5 14 24 28 27 4 0 0 1 0 2 4 6 6 1 0 -1 -2 -1 0 0 1 0 0 0 1 3 5 6 10 11 9 1 0 0 0 0 0 1 1 2 0 0 0 -1 -1 0 0 -1 -1 0 I/Sigma = 31.82 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.344 Region 8 Sum = 5297.05; Maximum = 58.4508; FM = 0.697 !Region 8: Section 1->3 0 1 0 0 0 0 1 1 0 1 2 0 0 0 0 1 0 0 2 7 5 4 2 1 1 1 0 1 1 0 0 0 1 1 0 0 2 4 2 1 2 2 2 1 0 4 15 11 8 6 3 3 1 0 1 2 2 0 1 1 1 1 0 2 6 4 1 2 2 2 2 0 5 19 14 10 8 4 4 3 0 0 0 1 0 1 0 1 1 0 2 3 4 2 2 1 3 2 1 6 21 20 15 8 6 5 3 1 1 0 0 0 0 1 1 1 0 2 4 3 3 1 2 3 1 0 7 28 24 20 9 6 4 2 1 0 1 1 0 -1 0 0 1 0 2 5 3 3 1 2 1 1 0 7 32 29 22 12 6 4 2 1 0 0 0 0 1 0 0 0 0 2 6 5 3 3 1 1 1 0 7 33 33 23 12 4 2 3 1 0 1 1 0 0 0 1 -1 0 1 5 5 3 1 0 1 0 0 6 27 30 22 12 5 2 0 0 0 0 1 0 0 0 1 0 0 0 1 3 2 0 0 1 0 0 1 7 13 10 7 2 0 1 0 !Region 8: Section 4->6 3 15 16 14 12 6 4 1 0 3 14 24 24 25 18 11 2 0 1 6 15 20 22 21 12 4 1 7 33 36 35 27 15 10 4 0 7 35 51 66 59 43 29 11 1 3 15 31 52 59 50 34 14 2 10 42 43 44 34 22 13 6 1 9 43 57 75 71 52 32 15 2 4 17 32 55 65 55 38 21 3 11 53 60 59 40 28 16 7 1 10 55 77 96 79 59 38 19 3 3 21 40 62 66 58 45 25 4 14 67 70 69 43 26 16 9 1 13 64 82100 81 58 45 25 3 4 23 38 58 64 60 55 33 5 15 72 78 71 49 26 16 8 1 13 63 80 93 80 55 45 26 4 5 21 32 49 58 55 54 36 5 13 65 80 68 43 23 14 8 1 10 51 75 81 69 52 36 23 3 3 16 27 40 49 50 42 32 5 10 56 72 64 43 24 12 4 1 7 42 65 73 60 45 30 15 2 2 11 22 33 37 41 34 23 4 3 17 27 29 24 10 4 1 0 2 12 26 31 28 17 12 5 1 0 3 9 13 14 15 16 9 2 !Region 8: Section 7->9 0 1 3 6 7 8 6 3 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 7 15 22 22 16 7 2 0 0 1 1 3 3 3 1 0 0 0 0 0 1 0 -1 0 0 1 3 7 14 23 24 21 15 3 0 0 1 2 3 4 6 6 1 0 -1 0 1 0 0 1 1 0 0 2 7 12 20 23 25 18 3 0 0 1 1 2 4 8 7 1 0 -1 0 1 0 1 1 1 0 0 1 5 10 19 25 28 20 4 0 -1 0 0 1 2 6 6 2 0 -1 0 0 -1 -1 0 1 0 0 2 4 9 17 22 26 22 4 0 -1 1 1 1 3 5 6 2 0 -1 0 0 0 0 0 1 0 0 2 4 6 14 18 20 19 4 0 -1 1 0 1 2 3 6 2 0 -1 0 0 0 0 -1 1 0 0 2 3 5 10 16 16 15 3 0 0 1 0 1 4 2 4 2 0 0 0 0 0 2 -1 0 0 0 0 1 1 3 7 9 7 2 0 0 0 -1 0 2 2 3 1 0 0 0 0 0 1 0 0 0 I/Sigma = 112.47 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.079 Region 9 Sum = 62697.7; Maximum = 895.973; FM = 0.904 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 2 3 3 3 2 1 0 0 0 0 1 0 0 0 0 0 0 0 2 4 3 2 1 1 1 0 0 3 8 9 7 5 3 1 1 0 0 1 1 1 0 0 0 0 0 2 5 5 4 2 1 1 0 0 4 11 15 16 12 6 2 1 0 1 2 2 1 1 0 0 0 0 3 7 9 8 5 2 1 0 0 5 17 26 30 25 14 5 2 0 1 2 2 2 1 0 0 0 0 3 9 11 11 7 3 1 0 0 5 20 33 40 35 22 8 2 0 1 2 2 2 1 0 0 0 0 3 8 11 10 7 4 1 0 0 5 18 31 39 35 25 11 3 0 1 2 2 1 1 0 0 0 0 2 7 8 8 6 4 1 1 0 4 14 23 29 28 20 10 3 0 0 1 1 1 1 0 0 0 0 1 4 5 5 4 2 1 0 0 2 8 14 19 18 13 6 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 1 2 4 5 5 3 1 1 0 !Region 9: Section 4->6 1 5 7 6 4 2 1 0 0 1 3 5 5 4 3 1 1 0 0 1 2 2 3 3 2 1 0 3 11 17 19 15 8 3 1 0 2 9 17 23 23 15 6 2 1 1 3 8 15 18 15 9 4 1 4 16 28 35 34 21 7 2 1 2 12 27 41 45 32 14 5 1 1 5 14 26 33 29 19 8 2 5 25 48 66 63 43 17 5 1 3 20 45 71 76 58 30 11 2 1 7 21 40 48 44 33 16 4 6 31 62 87 85 64 30 10 1 4 24 58 93100 84 50 20 3 1 8 25 49 62 60 47 24 5 5 26 56 84 85 67 36 13 2 3 19 49 86 97 85 53 24 3 1 6 19 43 59 58 44 23 5 3 19 41 62 67 55 31 12 1 2 13 33 61 76 68 41 17 2 0 3 11 27 44 45 30 15 4 2 11 25 41 45 34 17 6 1 1 8 19 36 47 41 22 9 1 0 2 5 13 23 24 14 8 2 0 2 5 9 12 8 3 1 0 0 1 3 8 11 9 4 2 0 0 0 1 2 4 5 3 2 1 !Region 9: Section 7->9 0 0 1 1 2 3 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 8 9 8 5 1 0 0 0 1 2 3 4 3 1 0 0 0 0 0 1 1 1 0 0 1 4 9 15 17 16 11 3 0 0 1 2 4 6 8 7 2 0 0 0 0 0 1 2 2 1 0 2 6 13 20 23 24 17 5 0 0 1 2 5 8 10 10 3 0 0 0 0 1 1 2 3 1 0 1 6 15 23 28 28 20 6 0 0 1 2 5 9 11 11 4 0 0 0 0 1 1 2 3 1 0 1 4 11 21 26 24 16 6 0 0 1 2 5 7 9 8 4 0 0 0 0 1 1 2 2 1 0 1 2 7 14 18 16 12 5 0 0 0 1 3 5 6 6 3 0 0 0 0 0 1 1 1 1 0 0 1 3 6 9 8 7 3 0 0 0 0 1 2 3 4 2 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 3 3 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (206 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 206 0 206 6.2009 0.8888 14.283 120.312 Orientation ('UB') matrix: 0.1440614 0.0358881 -0.0040768 0.0298801 -0.0025649 0.0771468 0.0660322 -0.0771360 -0.0044620 A B C Alpha Beta Gamma Vol 6.2417 11.7489 13.0076 90.000 96.549 90.000 947.65 0.0006 0.0011 0.0008 0.000 0.005 0.000 0.19 Corrected for goodness of fit: 0.0014 0.0025 0.0019 0.000 0.011 0.000 0.44 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.000 96.030 24.314 Goniometer zeros (deg): 0.0000* 0.1638 0.0000* 0.0747 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7153 -0.0406 0.0657 -0.1841 -0.1700 0.8773 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.65391e+03 3.00277e+03 2.26 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 206 206 189 Average input ESD (pix, pix, deg): 0.17303 0.13853 0.05844 Goodness of fit: 2.75664 2.10372 1.66775 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.178 2.775 2.526 Average missing volume: 0.032 % with too much missing I: 1.325 Fractional overlap in H,K,L: 0.000 0.000 0.000 End of pass 2. Repeating shape determination... Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:46 Current XYZ spot size: 2.178 2.775 2.526 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): 0.305 0.321 0.350 Profile convolver halfwidth: 1.00 1.00 1.68 Background pixels updated = 92.38% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 2.95 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 20 0.00 0.00 2.95 1.000 2_0003 2 -2.15 0.23 0.27 3.01 0.40 0.38 8548.8 17 0 0.45 22 3.55 5.43 2.95 1.000 3_0004 7 -0.10 -0.07 0.09 0.25 0.13 0.13 41292 51 0 0.60 27 2.30 4.31 2.95 1.000 4_0005 3 0.03 -0.12 -0.04 0.19 0.22 0.08 46492 50 0 0.76 30 2.07 4.04 2.90 1.000 5_0006 10 -0.12 -0.08 0.04 0.26 0.17 0.08 39415 54 0 0.78 28 2.54 4.51 2.90 1.000 6_0007 6 0.09 0.04 -0.00 0.35 0.08 0.06 19871 38 0 0.70 26 2.64 4.59 2.98 1.000 7_0008 5 -0.04 -0.09 0.02 0.12 0.13 0.06 48816 51 0 0.77 33 2.77 4.93 2.99 1.000 8_0009 11 0.05 -0.08 -0.01 0.27 0.27 0.05 64880 64 0 0.84 28 2.85 5.41 2.96 1.000 9_0010 8 -0.10 -0.01 0.02 0.32 0.10 0.05 35115 43 0 0.80 29 2.98 5.62 2.96 1.000 10_0011 12 -0.05 -0.08 0.06 0.48 0.29 0.15 45766 50 8 0.78 28 2.91 5.40 2.96 1.000 11_0012 14 -0.02 0.03 0.05 0.14 0.10 0.13 34616 46 7 0.79 29 2.78 5.28 2.96 1.000 12_0013 11 -0.22 -0.02 0.02 0.49 0.12 0.11 20946 36 0 0.77 26 2.70 5.22 2.95 1.000 13_0014 7 -0.09 -0.02 0.03 0.21 0.16 0.12 47358 69 0 0.81 31 2.71 5.26 2.95 1.000 14_0015 12 0.25 0.02 -0.06 0.66 0.37 0.13 69235 76 0 0.80 34 2.67 5.18 2.97 1.000 15_0016 8 0.10 0.09 -0.07 0.33 0.16 0.13 121702 99 0 0.83 32 2.65 5.10 2.98 1.000 16_0017 9 -0.11 0.02 0.01 0.21 0.13 0.14 62044 63 11 0.81 32 2.67 5.06 3.05 1.000 17_0018 7 -0.10 0.07 0.09 0.12 0.10 0.12 31418 42 0 0.82 28 2.66 5.04 3.07 1.000 18_0019 11 0.15 -0.11 0.16 0.47 0.30 0.60 35398 45 9 0.71 27 2.63 5.09 3.08 1.000 19_0020 10 0.10 0.04 0.01 0.44 0.12 0.05 133903 93 0 0.82 30 2.66 5.08 3.09 1.000 Background pixels updated = 92.11% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.02 -0.06 0.03 0.10 0.10 0.05 26475 43 0 0.70 29 2.65 5.06 3.12 1.000 21_0022 8 -0.02 -0.07 0.11 0.38 0.16 0.25 30363 45 0 0.80 28 2.74 5.11 3.11 1.000 22_0023 8 -0.04 -0.03 0.04 0.10 0.06 0.10 74183 72 0 0.82 27 2.71 5.05 3.11 1.000 23_0024 7 0.02 -0.04 0.05 0.13 0.15 0.07 12395 26 0 0.75 29 2.70 5.05 3.11 1.000 24_0025 8 0.01 -0.05 0.02 0.14 0.07 0.06 65747 62 0 0.87 30 2.68 5.03 3.10 1.000 25_0026 12 -0.04 0.02 -0.00 0.14 0.06 0.08 52699 58 8 0.75 29 2.65 4.96 3.10 1.000 26_0027 4 -0.24 -0.04 0.05 0.30 0.12 0.07 13972 28 0 0.80 27 2.66 4.97 3.08 1.000 27_0028 10 0.03 0.07 -0.01 0.16 0.16 0.06 20797 31 10 0.75 25 2.66 4.99 3.07 1.000 28_0029 6 0.09 0.02 -0.04 0.21 0.11 0.09 23430 36 0 0.83 27 2.70 5.00 3.07 1.000 29_0030 10 0.08 0.03 -0.04 0.24 0.14 0.09 44564 57 0 0.86 29 2.71 4.98 3.08 1.000 I/Sigma = 69.94 Thresh = 0.020 Blend = F #Contributing = 52 InitialProfileWt = 0.035 Region 1 Sum = 27803.4; Maximum = 1441.72; FM = 0.853 !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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 1 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 1 1 1 0 0 3 9 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 6 2 1 1 1 0 0 3 14 17 6 2 1 1 0 0 0 1 0 0 0 0 0 0 0 1 7 10 3 2 1 1 0 0 2 16 29 12 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 3 1 1 1 0 0 1 7 15 8 2 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 1: Section 4->6 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 4 3 1 1 0 0 0 0 1 3 5 3 1 1 0 0 0 1 2 4 3 1 1 0 0 1 5 9 7 2 1 0 0 0 0 2 11 19 8 2 1 0 0 0 1 8 17 9 2 1 0 0 1 9 23 20 6 1 1 0 0 1 5 33 66 28 4 1 0 0 1 3 25 63 32 5 1 0 0 1 11 35 35 13 2 1 0 0 1 5 42100 56 9 1 0 0 1 3 29 90 61 11 1 0 0 1 5 17 20 9 2 1 0 0 1 2 16 48 36 7 1 0 0 1 1 10 41 39 9 1 0 0 0 1 4 5 3 1 0 0 0 0 1 4 14 11 3 1 0 0 0 1 3 12 13 4 1 0 0 0 1 2 2 1 1 0 0 0 1 1 2 6 5 2 1 0 0 0 1 1 5 6 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 2 1 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 2 4 3 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 14 10 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 19 18 5 1 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 9 12 6 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 5 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 215.21 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.041 Region 2 Sum = 247637; Maximum = 28630.8; FM = 0.759 !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 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 3 0 0 0 0 0 0 0 6 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 0 1 11 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 3 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 11 27 5 0 0 0 0 0 0 14 39 9 0 0 0 0 0 0 6 22 7 0 0 0 0 0 1 28 67 21 1 0 0 0 0 1 38100 35 1 0 0 0 0 0 19 59 24 1 0 0 0 0 0 7 21 6 0 0 0 0 0 0 9 31 11 0 0 0 0 0 0 4 19 8 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 7 4 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 20 12 1 0 0 0 0 0 1 6 5 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 7 5 1 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 162.67 Thresh = 0.020 Blend = F #Contributing = 28 InitialProfileWt = 0.079 Region 3 Sum = 109071; Maximum = 10709.3; FM = 0.766 !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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 1 7 12 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 6 1 0 0 0 0 0 2 13 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 2 4 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 9 25 8 0 0 0 0 0 0 9 34 11 1 0 0 0 0 0 8 27 9 1 0 0 0 0 1 21 72 25 1 0 0 0 0 1 30100 32 1 0 0 0 0 1 30 81 21 1 0 0 0 0 1 7 23 7 0 0 0 0 0 1 11 37 12 1 0 0 0 0 0 11 30 10 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 2 3 2 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 10 4 1 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 31 9 1 0 0 0 0 0 2 6 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 4 10 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 42.57 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.154 Region 4 Sum = 15870.7; Maximum = 901.09; FM = 0.866 !Region 4: Section 1->3 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 1 1 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 2 1 1 1 0 0 0 0 1 1 0 0 0 0 0 1 1 2 1 1 1 0 0 0 1 4 7 4 2 1 1 0 0 0 1 0 1 0 0 0 0 0 1 3 5 2 1 1 0 0 0 1 8 21 11 2 1 0 0 1 1 0 0 0 0 0 0 0 0 1 2 3 2 1 1 0 0 0 1 6 19 12 2 1 1 0 0 1 1 1 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 4 6 4 2 1 1 0 0 0 1 1 0 1 1 0 0 1 1 2 1 1 1 1 0 0 0 2 3 3 2 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 1 2 1 1 1 0 0 0 1 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Region 4: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 2 1 0 0 0 0 2 4 4 2 1 1 0 0 0 1 4 7 5 1 0 0 0 0 0 2 5 5 2 0 0 0 1 4 12 11 4 1 0 0 0 1 2 11 17 9 2 0 0 0 0 1 4 11 10 3 1 0 0 1 10 40 32 7 1 0 0 0 1 5 39 50 16 2 0 0 0 0 2 16 30 16 4 1 0 0 1 8 40 53 15 2 0 0 0 0 4 46100 37 4 0 0 0 0 2 20 62 33 5 0 0 0 1 4 13 26 14 2 1 0 0 0 2 16 60 37 4 0 0 0 0 1 9 40 30 5 0 0 0 1 3 6 7 4 1 0 0 0 0 2 7 15 10 2 0 0 0 0 1 4 10 9 3 0 0 0 1 3 4 4 2 0 0 0 0 0 2 4 6 3 0 0 0 0 0 1 2 4 3 1 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 0 !Region 4: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 0 0 0 1 0 0 0 1 2 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 3 7 5 1 0 0 0 1 1 1 3 3 2 0 0 0 0 0 0 1 1 1 1 0 0 1 2 6 10 6 1 0 0 0 0 1 1 4 4 1 0 0 0 0 0 0 1 1 1 0 0 0 1 3 12 15 5 1 0 0 0 0 1 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 9 12 3 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 2 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 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 I/Sigma = 32.46 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 5 Sum = 8304.01; Maximum = 280.929; FM = 0.84 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 2 1 2 0 0 0 0 1 3 6 6 3 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 2 1 0 0 1 0 1 4 12 10 4 1 0 0 0 -1 0 0 1 1 1 0 0 0 0 2 6 5 2 1 0 0 0 1 8 36 33 9 2 0 0 0 0 0 1 1 0 1 0 0 0 1 2 6 6 2 1 0 1 0 0 5 36 48 21 5 1 1 0 0 0 1 1 1 0 0 0 0 0 2 3 3 2 1 0 0 0 0 3 11 18 13 4 1 1 0 0 1 1 1 0 -1 -1 0 0 0 2 2 2 1 0 0 0 0 0 1 4 5 4 2 1 0 -1 0 0 1 0 0 0 -1 0 0 0 1 2 0 1 1 0 0 0 0 0 3 4 3 2 0 0 0 0 0 1 0 -1 -1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 2 0 -1 0 0 !Region 5: Section 4->6 0 1 3 5 3 1 0 0 0 0 0 2 5 6 2 1 0 0 0 0 0 3 6 4 2 0 0 0 3 8 11 7 1 0 -1 0 0 1 4 12 16 7 1 0 0 0 1 1 8 16 13 4 0 0 0 4 17 18 10 3 0 -1 0 0 2 9 19 21 11 2 0 0 0 1 3 12 21 17 5 1 0 1 8 53 62 25 7 0 1 0 0 2 25 59 54 24 4 1 0 -1 1 8 39 59 38 9 1 0 0 5 52 89 56 19 3 1 0 0 3 21 66100 61 12 0 0 0 2 4 31 96 82 21 2 0 0 2 14 32 34 17 4 1 -1 0 1 4 20 50 48 15 1 0 0 1 0 7 37 56 22 3 0 -1 0 5 9 9 7 2 0 -1 0 0 1 5 13 17 7 1 0 0 1 0 1 10 19 12 3 0 -1 0 3 7 6 3 0 1 0 0 0 0 4 7 8 4 1 0 0 -1 -1 1 4 10 7 3 1 0 0 1 3 4 1 -1 0 0 0 0 0 2 3 3 2 0 0 0 -1 0 0 1 3 3 1 0 !Region 5: Section 7->9 0 0 0 1 3 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 -1 -1 3 6 9 4 1 0 0 -1 -1 1 1 2 1 1 0 0 -1 0 0 0 1 0 0 0 0 1 0 4 8 10 4 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 1 0 0 0 0 0 3 12 23 22 7 1 0 0 -1 1 1 3 5 2 1 0 0 -1 0 1 1 1 0 0 0 0 1 2 9 33 41 15 2 0 0 0 2 2 4 7 3 0 0 0 0 1 1 1 1 0 0 0 0 2 0 2 11 22 13 3 0 0 1 0 0 1 2 3 1 1 0 0 0 0 0 0 0 0 0 1 2 1 1 3 8 7 3 0 1 2 1 1 1 2 1 0 0 0 1 1 0 0 1 0 -1 0 1 1 0 1 2 4 4 3 1 1 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 -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 I/Sigma = 34.85 Thresh = 0.020 Blend = F #Contributing = 5 InitialProfileWt = 0.513 Region 6 Sum = 6765.34; Maximum = 177.998; FM = 0.833 !Region 6: Section 1->3 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 0 0 0 1 4 6 3 1 1 1 0 1 2 1 1 0 1 1 1 0 1 3 5 4 2 2 1 1 1 0 3 12 12 6 2 1 1 0 1 1 1 1 1 1 1 0 0 2 3 6 4 3 3 1 1 0 1 5 15 15 7 4 1 0 0 1 1 1 1 2 2 1 0 -1 1 3 8 7 4 4 2 1 0 1 7 28 29 14 6 2 2 1 0 1 1 2 1 1 2 1 0 0 4 12 14 6 2 2 1 0 0 9 48 60 27 8 2 2 1 1 1 1 1 1 0 1 0 0 1 3 8 10 5 1 1 0 1 0 5 27 42 23 8 1 0 1 0 1 2 1 1 0 0 1 1 1 2 3 3 2 1 1 1 2 0 2 4 8 6 3 0 0 1 0 0 1 0 0 0 0 -1 0 0 1 2 1 1 0 1 0 0 0 1 2 1 2 1 1 1 0 0 0 0 1 0 0 2 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 !Region 6: Section 4->6 1 1 5 8 6 1 0 0 -1 0 1 2 4 6 4 1 0 -1 0 0 0 1 4 7 4 0 0 0 2 14 20 12 4 1 1 -1 0 1 5 12 12 9 4 1 -1 0 1 1 3 9 15 9 2 0 -1 3 18 24 16 7 2 0 0 0 1 9 19 21 14 5 1 0 0 1 3 11 21 24 9 3 0 0 5 41 57 33 10 3 2 2 1 2 23 46 51 37 11 2 1 1 1 6 23 61 73 22 3 1 -1 8 59100 64 24 5 3 0 0 3 24 63 74 62 18 3 0 1 3 6 20 62 98 37 6 1 -1 4 30 61 48 22 4 1 1 0 2 10 32 44 44 17 3 0 0 3 5 8 27 58 33 7 1 0 2 6 15 13 7 1 0 0 0 2 4 10 14 14 6 1 0 1 2 3 4 12 21 16 7 1 0 1 2 5 5 3 1 1 0 0 0 1 6 8 8 5 1 0 1 1 2 5 9 15 12 5 1 0 0 0 0 1 2 0 0 0 0 0 0 1 3 4 2 1 1 0 1 1 1 4 7 5 2 1 !Region 6: Section 7->9 0 1 0 0 2 3 4 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 9 7 2 0 0 1 0 1 2 2 3 1 -1 0 0 0 0 0 1 1 0 -1 1 2 2 4 11 17 7 3 1 1 1 0 2 2 3 2 2 1 1 1 0 1 0 0 1 1 0 1 2 3 8 29 46 14 3 1 0 1 1 2 4 10 3 1 0 0 0 1 1 1 1 1 0 0 1 2 4 7 24 53 26 5 1 0 1 1 2 2 9 6 1 0 0 0 0 1 1 1 0 0 0 0 1 4 4 11 28 23 7 1 0 0 1 1 2 4 6 4 1 0 0 0 0 0 0 1 2 1 1 2 2 3 5 12 14 9 2 0 1 0 1 0 4 5 4 1 0 0 0 0 0 2 1 1 0 1 2 3 4 5 9 11 7 1 0 1 1 1 2 3 3 3 1 0 0 0 0 1 1 0 1 0 0 1 1 1 2 5 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.56 Thresh = 0.020 Blend = F #Contributing = 8 InitialProfileWt = 0.393 Region 7 Sum = 7707.96; Maximum = 231.084; FM = 0.847 !Region 7: Section 1->3 1 1 1 0 1 0 0 0 0 1 2 1 1 2 1 0 0 0 0 1 3 4 3 1 1 1 0 1 2 2 1 1 0 0 0 0 2 4 4 4 2 1 1 1 0 1 3 9 11 6 2 1 1 1 0 2 2 1 0 0 0 0 0 0 3 6 4 1 1 1 0 0 1 3 12 13 5 2 2 1 0 0 1 2 1 1 2 0 1 0 0 2 5 4 3 2 1 2 0 0 4 17 20 11 4 2 2 1 0 1 1 1 1 1 0 1 0 1 2 5 5 3 2 0 1 0 1 5 30 36 18 6 2 1 0 1 1 1 1 1 0 0 1 0 1 2 3 4 3 0 0 2 0 1 4 19 30 15 4 2 1 0 0 1 1 0 1 0 -1 0 0 1 1 2 2 2 0 -1 1 0 1 1 4 9 5 2 1 1 0 0 0 1 1 1 1 0 0 0 0 0 2 1 2 3 0 0 0 0 0 2 2 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 -1 0 0 1 1 1 1 0 0 0 !Region 7: Section 4->6 0 1 4 7 6 3 1 1 0 0 1 2 4 5 3 1 0 0 0 0 0 1 1 2 1 0 0 0 2 10 19 15 7 3 1 1 0 1 4 12 13 8 2 1 1 -1 0 0 2 5 6 2 0 0 1 2 17 28 18 8 3 2 1 0 1 10 21 20 13 4 2 1 1 0 1 5 15 20 6 1 1 1 5 37 56 38 16 6 3 2 1 3 25 48 49 32 10 2 1 0 1 5 16 46 58 20 3 1 1 7 60100 63 24 7 3 1 1 4 36 81 73 44 14 3 1 0 0 7 21 47 65 29 6 1 1 5 36 75 47 17 4 1 0 1 3 22 56 48 28 9 2 1 1 0 5 13 23 39 23 8 2 1 1 8 19 14 6 3 2 1 1 1 6 15 15 10 5 2 0 0 1 2 5 11 19 15 5 0 0 1 3 5 6 3 1 1 0 0 2 3 5 7 5 2 1 0 0 0 1 3 8 12 9 4 1 0 0 1 2 2 1 0 1 0 0 0 1 2 2 2 1 1 0 0 0 0 1 3 5 5 2 0 !Region 7: Section 7->9 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 -1 -1 0 0 2 3 2 0 0 0 0 0 0 1 1 0 1 0 0 0 0 -1 0 1 0 1 1 1 0 0 2 8 15 5 1 0 0 0 0 1 1 3 1 1 0 0 0 0 0 -1 0 0 1 0 0 1 0 5 25 42 17 4 0 0 1 0 1 3 7 4 2 0 0 1 0 0 -1 0 0 1 0 0 0 2 4 20 42 25 7 1 0 1 0 1 2 6 6 2 0 -1 0 0 -1 0 0 0 0 0 1 0 2 4 10 26 22 9 2 0 0 0 1 2 4 5 3 1 0 -1 -1 0 0 0 0 0 0 0 0 1 3 7 16 16 7 1 1 0 0 1 2 4 4 3 0 0 0 0 0 1 0 0 0 0 0 -1 0 2 5 10 11 6 1 1 0 0 1 1 2 4 3 1 0 0 0 1 0 0 1 1 0 0 0 0 0 2 4 6 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 39.26 Thresh = 0.020 Blend = F #Contributing = 14 InitialProfileWt = 0.344 Region 8 Sum = 11588.4; Maximum = 417.793; FM = 0.891 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 2 2 1 0 0 0 0 1 2 1 1 1 1 0 0 0 1 4 4 3 1 1 1 1 0 0 3 7 7 3 1 0 1 0 1 2 2 1 1 1 1 1 0 1 6 7 4 2 2 2 1 0 1 6 14 12 5 2 2 1 0 1 1 1 1 1 1 0 0 0 2 5 8 4 2 2 1 1 1 1 6 18 17 7 3 2 1 0 0 1 1 1 0 1 0 0 0 1 4 7 4 2 2 1 1 0 1 5 19 27 14 4 2 1 0 0 0 1 1 0 0 0 0 0 0 1 4 4 1 0 1 0 0 1 2 12 24 14 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 6 4 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 3 2 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 5 10 7 2 1 0 0 1 1 2 8 9 3 1 1 0 1 1 0 3 5 3 1 1 0 1 3 13 20 13 4 2 1 0 1 1 5 18 25 12 2 1 0 0 1 1 8 21 14 3 1 0 1 4 20 41 32 12 3 1 0 1 2 12 48 70 36 7 1 0 0 1 3 23 59 43 10 2 1 1 3 27 72 59 18 4 1 1 1 2 17 76100 51 12 2 1 1 1 4 28 67 59 19 3 1 0 2 16 55 49 12 3 1 0 0 1 9 48 66 30 8 2 0 0 1 2 14 35 35 15 3 0 0 1 3 13 13 4 1 1 0 0 1 2 12 18 9 4 2 0 0 1 1 5 12 15 9 3 1 1 1 0 1 2 1 1 1 0 0 1 0 2 5 3 2 1 0 0 1 1 2 5 6 5 3 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 2 2 1 0 !Region 8: Section 7->9 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 1 0 0 1 1 1 1 1 0 0 0 -1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 7 5 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 18 20 8 3 1 0 -1 0 0 2 4 3 2 0 0 -1 -1 0 1 0 0 1 0 0 0 1 4 17 28 17 6 1 0 0 0 0 1 6 8 5 1 0 0 0 0 0 0 1 1 0 0 0 1 2 8 18 17 7 1 0 -1 1 0 1 5 11 7 1 0 0 1 0 0 1 2 2 0 0 0 1 1 4 11 12 6 1 1 0 1 1 1 4 8 7 1 1 0 1 1 1 1 2 3 1 0 0 0 2 2 5 7 5 1 0 -1 0 1 2 2 5 6 2 0 -1 0 0 1 1 1 3 1 0 0 0 1 1 2 3 2 0 0 0 0 1 1 1 2 2 0 0 0 0 1 0 0 1 1 0 I/Sigma = 106.49 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.069 Region 9 Sum = 73305.2; Maximum = 6043.06; FM = 0.805 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 3 1 1 0 0 0 0 1 4 8 6 1 1 0 0 0 0 1 1 1 0 0 0 0 0 1 3 8 5 1 0 0 0 0 1 5 20 22 4 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 3 1 0 0 0 0 0 2 9 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 4 18 22 5 1 0 0 0 0 2 19 33 10 1 0 0 0 0 1 9 24 12 1 0 0 0 0 5 44 75 22 1 0 0 0 0 4 45100 39 2 0 0 0 0 1 19 61 35 4 0 0 0 0 2 18 36 12 1 0 0 0 0 1 16 44 18 1 0 0 0 0 0 6 23 14 3 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 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 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 10 10 2 0 0 0 0 0 1 3 5 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 4 22 23 6 1 0 0 0 0 1 5 10 5 1 0 0 0 0 0 1 2 2 0 0 0 0 0 1 7 9 4 1 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 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 0 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 (207 input reflections)... Frame rows, columns: 1024 1536 Frame width (deg): 1.000 Relative SVD-filter threshold: 0.0000500 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.2200 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000058 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 207 0 207 6.2015 0.8887 14.282 120.322 Orientation ('UB') matrix: 0.1440375 0.0359136 -0.0040242 0.0298727 -0.0025779 0.0771272 0.0660492 -0.0771530 -0.0044503 A B C Alpha Beta Gamma Vol 6.2427 11.7452 13.0124 90.000 96.585 90.000 947.80 0.0007 0.0013 0.0010 0.000 0.006 0.000 0.23 Corrected for goodness of fit: 0.0013 0.0024 0.0018 0.000 0.010 0.000 0.42 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.995 96.038 24.324 Goniometer zeros (deg): 0.0000* 0.1597 0.0000* 0.0673 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7529 -0.0411 0.0657 -0.1207 -0.1647 0.8910 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.55420e+03 1.95735e+03 1.80 25 2 1 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 207 207 203 Average input ESD (pix, pix, deg): 0.25803 0.22113 0.06069 Goodness of fit: 2.19673 1.79696 1.19530 Old XYZ spot size: 2.178 2.775 2.526 New XYZ spot size: 2.145 2.774 2.491 Average missing volume: 0.027 % with too much missing I: 1.325 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:24:48 Unsorted reflections will be written to /smb/isengard/data/neal054/work/unsorted.raw Spatially corrected beam center: 773.94 507.14 Input monochromator 2Th, roll (deg): 0.00 0.00 Input spot-size bias: 1.000 Unbiased XYZ spot size (deg): 2.145 2.774 2.491 Spot size used (deg): 2.145 2.774 2.491 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 15 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 LS profile fitting will be used to worst resolution of 9999.000 A up to I/sigma(I) of 8.000 unweighted fit Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.300 0.321 0.347 Profile convolver halfwidth: 1.00 1.00 1.69 Background pixels updated = 92.77% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 16 0.00 0.00 0.00 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 20 0.00 0.00 0.00 1.000 2_0003 4 -0.41 -0.21 0.07 2.38 0.69 0.27 10924 20 0 0.72 22 2.76 3.09 2.08 1.000 3_0004 8 -0.08 -0.04 0.08 0.22 0.09 0.12 35771 50 0 0.71 28 2.14 2.94 3.13 1.000 4_0005 4 1.27 0.40 -0.12 2.46 0.99 0.16 32869 44 0 0.80 30 2.08 2.95 3.16 1.000 5_0006 10 -0.14 -0.05 0.04 0.25 0.12 0.08 31145 54 0 0.79 27 2.18 3.09 3.34 1.000 6_0007 5 0.15 0.08 -0.03 0.42 0.13 0.07 23105 42 0 0.80 25 2.24 3.16 3.39 1.000 7_0008 7 -0.02 0.05 -0.03 0.12 0.31 0.09 37872 48 0 0.77 32 2.31 3.33 3.44 1.000 8_0009 11 0.07 -0.06 -0.03 0.27 0.25 0.06 52723 64 0 0.86 28 2.31 3.56 3.48 1.000 9_0010 8 -0.07 0.04 -0.01 0.28 0.11 0.05 32553 43 0 0.84 29 2.37 3.67 3.40 1.000 10_0011 12 -0.02 -0.08 0.04 0.43 0.27 0.14 35281 50 0 0.78 28 2.30 3.56 3.46 1.000 11_0012 14 -0.01 0.08 0.05 0.26 0.22 0.15 29088 46 0 0.80 28 2.17 3.45 3.45 1.000 12_0013 11 -0.18 -0.00 -0.00 0.44 0.11 0.11 19792 36 0 0.76 26 2.10 3.41 3.45 1.000 13_0014 7 -0.03 -0.02 0.01 0.18 0.10 0.11 36973 69 0 0.80 31 2.11 3.44 3.50 1.000 14_0015 13 0.22 -0.06 -0.10 0.70 0.47 0.17 49748 78 0 0.81 33 2.10 3.40 3.54 1.000 15_0016 8 0.14 0.09 -0.08 0.33 0.15 0.14 86585 100 0 0.85 32 2.08 3.35 3.58 1.000 16_0017 11 0.40 -0.30 0.00 1.20 0.70 0.15 42406 59 0 0.82 32 2.09 3.35 3.55 1.000 17_0018 8 0.87 0.39 0.09 2.60 0.95 0.13 22086 37 13 0.78 28 2.08 3.33 3.53 1.000 18_0019 11 0.19 -0.11 -0.00 0.49 0.32 0.12 35364 45 9 0.71 27 2.06 3.36 3.51 1.000 19_0020 10 -0.09 -0.04 0.01 0.31 0.12 0.05 99435 94 0 0.83 29 2.07 3.35 3.56 1.000 Background pixels updated = 92.44% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 6 0.04 -0.07 0.02 0.10 0.10 0.04 28751 43 0 0.70 29 2.06 3.34 3.55 1.000 21_0022 8 0.10 -0.09 0.08 0.39 0.18 0.19 21161 45 0 0.80 28 2.12 3.36 3.56 1.000 22_0023 8 -0.02 -0.04 -0.00 0.08 0.07 0.04 68743 72 0 0.82 27 2.10 3.33 3.56 1.000 23_0024 7 0.06 -0.02 0.05 0.20 0.16 0.07 11648 26 0 0.75 28 2.09 3.33 3.55 1.000 24_0025 9 0.63 -0.06 -0.04 1.75 0.10 0.13 49916 58 0 0.87 30 2.09 3.32 3.54 1.000 25_0026 11 0.01 -0.06 -0.04 0.07 0.22 0.10 54940 66 0 0.82 30 2.07 3.29 3.54 1.000 26_0027 6 -0.14 -0.00 0.03 0.18 0.07 0.06 11160 23 17 0.71 27 2.07 3.29 3.54 1.000 27_0028 11 -0.07 0.00 0.03 0.56 0.40 0.12 20142 30 9 0.75 26 2.09 3.31 3.52 1.000 28_0029 5 0.20 0.06 -0.06 0.29 0.17 0.11 18726 37 0 0.88 27 2.12 3.32 3.51 1.000 29_0030 11 0.10 -0.00 -0.03 0.16 0.12 0.07 34519 55 0 0.84 29 2.12 3.31 3.51 1.000 30_0031 9 -0.03 -0.05 0.02 0.13 0.10 0.05 30161 48 0 0.84 30 2.14 3.31 3.51 1.000 31_0032 14 0.45 0.09 -0.02 1.44 0.52 0.09 32365 47 0 0.75 29 2.14 3.29 3.51 1.000 32_0033 11 -0.04 -0.03 -0.04 0.16 0.12 0.23 35847 45 0 0.82 28 2.12 3.27 3.50 1.000 33_0034 7 0.17 -0.18 -0.06 0.28 0.30 0.11 63182 71 0 0.84 30 2.11 3.24 3.51 1.000 34_0035 12 0.11 -0.05 -0.04 0.45 0.35 0.14 26076 38 0 0.73 28 2.12 3.24 3.51 1.000 35_0036 8 0.53 -0.45 -0.07 1.05 1.38 0.15 43852 48 0 0.77 31 2.13 3.23 3.52 1.000 36_0037 5 0.09 -0.05 -0.01 0.13 0.06 0.06 23744 34 0 0.71 28 2.12 3.22 3.50 1.000 37_0038 7 0.05 -0.05 0.03 0.11 0.15 0.11 19804 42 0 0.82 32 2.12 3.21 3.51 1.000 38_0039 13 -0.01 0.07 -0.01 0.57 0.45 0.15 65818 70 0 0.77 27 2.13 3.19 3.52 1.000 39_0040 10 0.09 -0.01 0.05 0.68 0.13 0.09 18464 32 0 0.83 29 2.12 3.18 3.51 1.000 Background pixels updated = 92.56% 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 0.70 -0.37 -0.08 1.46 0.94 0.19 26727 38 0 0.79 30 2.12 3.17 3.51 1.000 41_0042 9 0.04 0.00 0.06 0.13 0.09 0.18 56332 67 0 0.82 28 2.11 3.14 3.52 1.000 42_0043 7 0.12 -0.05 -0.06 0.18 0.08 0.09 61081 73 0 0.84 29 2.10 3.11 3.53 1.000 43_0044 9 0.17 -0.19 -0.03 0.57 0.70 0.15 13710 28 11 0.82 31 2.11 3.11 3.53 1.000 44_0045 7 0.14 0.05 -0.06 0.21 0.21 0.09 37665 51 0 0.82 30 2.11 3.11 3.54 1.000 45_0046 10 -0.02 -0.02 0.04 0.15 0.09 0.11 73716 110 0 0.80 30 2.10 3.08 3.56 1.000 46_0047 13 0.19 -0.02 -0.03 0.69 0.32 0.10 70117 78 8 0.81 30 2.10 3.07 3.58 1.000 47_0048 12 0.09 -0.05 -0.03 0.16 0.12 0.07 44357 61 0 0.76 28 2.09 3.04 3.57 1.000 48_0049 7 0.19 -0.22 -0.14 0.70 0.32 0.30 16742 24 14 0.69 27 2.09 3.04 3.56 1.000 49_0050 5 -0.51 -0.20 0.03 0.81 0.37 0.09 25413 35 0 0.71 25 2.08 3.03 3.56 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 (368 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) 368 0 368 11.7513 0.8887 7.523 120.336 Orientation ('UB') matrix: 0.1440184 0.0358989 -0.0040073 0.0298624 -0.0025830 0.0771337 0.0660471 -0.0771111 -0.0044494 A B C Alpha Beta Gamma Vol 6.2436 11.7513 13.0117 90.000 96.594 90.000 948.36 0.0004 0.0008 0.0007 0.000 0.003 0.000 0.14 Corrected for goodness of fit: 0.0010 0.0018 0.0016 0.000 0.008 0.000 0.34 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 8.990 96.041 24.326 Goniometer zeros (deg): 0.0000* 0.1686 0.0000* 0.0658 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.7203 -0.0235 0.0652 -0.1371 -0.1671 0.8927 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 7.00159e+03 6.00510e+03 2.36 2 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 368 368 361 Average input ESD (pix, pix, deg): 0.26128 0.22448 0.05990 Goodness of fit: 2.58440 2.78412 1.38720 Background pixels updated = 92.95% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 10 0.14 0.06 -0.00 0.76 0.34 0.08 62492 84 0 0.80 29 2.07 3.02 3.56 1.000 51_0052 9 0.31 0.09 -0.07 0.42 0.26 0.11 55125 64 0 0.76 27 2.08 3.01 3.57 1.000 52_0053 9 -0.06 0.08 0.01 0.26 0.15 0.10 28985 43 0 0.86 30 2.08 3.00 3.56 1.000 53_0054 11 0.84 -0.33 -0.22 2.05 1.04 0.58 38058 55 0 0.78 26 2.08 2.98 3.57 1.000 54_0055 8 -0.22 -0.11 -0.02 0.78 0.28 0.24 57247 91 0 0.74 28 2.07 2.96 3.57 1.000 55_0056 7 0.05 0.05 -0.14 0.51 0.13 0.28 23908 42 0 0.78 27 2.07 2.95 3.56 1.000 56_0057 13 0.16 0.05 -0.03 0.37 0.20 0.09 38057 57 0 0.83 30 2.06 2.94 3.57 1.000 57_0058 8 0.09 -0.05 -0.04 0.12 0.06 0.08 32697 50 0 0.78 30 2.06 2.93 3.57 1.000 58_0059 14 0.42 0.00 -0.10 0.91 0.30 0.18 22284 36 0 0.79 30 2.07 2.92 3.57 1.000 59_0060 8 -0.03 -0.03 -0.01 0.27 0.19 0.09 26886 39 0 0.73 26 2.07 2.92 3.55 1.000 Background pixels updated = 92.97% 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 7 0.14 0.00 -0.04 0.15 0.16 0.06 27375 35 0 0.76 28 2.06 2.90 3.55 1.000 61_0062 5 0.77 -0.16 -0.08 1.40 0.85 0.15 14884 29 0 0.80 27 2.06 2.90 3.54 1.000 62_0063 12 0.15 -0.03 0.01 0.57 0.15 0.15 41974 58 0 0.78 29 2.06 2.90 3.54 1.000 63_0064 9 0.32 -0.03 -0.11 0.72 0.21 0.22 62373 73 0 0.83 29 2.07 2.90 3.55 1.000 64_0065 7 0.28 0.06 -0.09 0.34 0.24 0.12 9824.0 21 0 0.81 27 2.06 2.89 3.54 1.000 65_0066 11 0.19 -0.04 0.02 0.55 0.17 0.19 22072 36 0 0.75 25 2.06 2.88 3.54 1.000 66_0067 13 0.10 0.01 -0.06 0.17 0.10 0.09 49209 61 0 0.79 28 2.05 2.86 3.53 1.000 67_0068 7 0.06 0.11 -0.07 0.16 0.28 0.10 90766 90 0 0.79 30 2.05 2.86 3.54 1.000 68_0069 11 0.10 0.04 -0.05 0.45 0.42 0.13 14650 33 0 0.77 33 2.05 2.86 3.53 1.000 69_0070 6 0.55 -0.51 -0.11 1.14 1.36 0.17 14303 21 0 0.69 28 2.05 2.85 3.52 1.000 70_0071 8 0.15 0.09 -0.04 0.26 0.14 0.07 30582 39 13 0.73 26 2.05 2.84 3.52 1.000 71_0072 8 0.12 0.06 -0.05 0.21 0.08 0.09 46629 51 0 0.73 26 2.05 2.83 3.52 1.000 72_0073 8 0.29 -0.03 -0.04 0.49 0.36 0.10 29517 43 0 0.81 27 2.04 2.82 3.52 1.000 73_0074 10 0.02 0.02 -0.01 0.14 0.07 0.05 67513 87 0 0.83 31 2.03 2.82 3.53 1.000 74_0075 8 0.57 -0.18 -0.07 1.35 0.36 0.10 19529 33 0 0.76 28 2.04 2.82 3.52 1.000 75_0076 14 0.53 0.14 -0.05 1.65 0.34 0.13 27357 43 0 0.78 26 2.05 2.82 3.51 1.000 76_0077 7 -0.08 0.22 -0.07 0.98 0.56 0.16 53567 54 0 0.80 31 2.06 2.82 3.52 1.000 77_0078 10 0.18 -0.21 -0.03 0.58 0.55 0.17 95245 102 0 0.82 29 2.05 2.82 3.53 1.000 78_0079 9 0.16 0.00 0.01 0.24 0.23 0.12 41397 57 0 0.80 30 2.05 2.81 3.53 1.000 79_0080 11 -0.09 0.18 -0.03 0.70 0.39 0.25 45511 47 0 0.75 27 2.05 2.80 3.53 1.000 Background pixels updated = 92.90% 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 11 -0.08 0.00 0.00 0.27 0.31 0.11 26995 43 0 0.77 29 2.05 2.79 3.52 1.000 81_0082 10 -0.08 0.07 -0.04 0.49 0.13 0.08 31292 45 0 0.72 31 2.04 2.79 3.51 1.000 82_0083 9 0.11 0.06 -0.02 0.28 0.16 0.14 61311 77 11 0.79 30 2.04 2.79 3.51 1.000 83_0084 6 0.87 0.04 0.15 1.52 0.47 0.57 24146 33 17 0.72 29 2.04 2.78 3.51 1.000 84_0085 9 0.50 0.03 0.04 0.94 0.17 0.34 27254 40 0 0.77 26 2.04 2.78 3.50 1.000 85_0086 11 0.14 0.08 -0.06 0.21 0.13 0.09 48049 55 0 0.71 28 2.04 2.77 3.49 1.000 86_0087 7 -0.03 0.18 0.00 0.25 0.32 0.10 28057 59 0 0.80 30 2.04 2.77 3.49 1.000 87_0088 11 0.05 -0.02 -0.03 0.40 0.23 0.11 39748 55 0 0.83 30 2.03 2.77 3.49 1.000 88_0089 9 0.10 0.06 -0.05 0.22 0.13 0.09 69024 80 0 0.78 27 2.03 2.76 3.49 1.000 89_0090 6 0.67 0.28 -0.26 1.36 0.67 0.44 29351 45 0 0.73 24 2.03 2.76 3.49 1.000 90_0091 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 2.03 2.76 3.49 1.000 91_0092 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 2.03 2.76 3.49 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_12_0092.sfrm I/Sigma = 68.71 Thresh = 0.020 Blend = F #Contributing = 235 InitialProfileWt = 0.000 Region 1 Sum = 31899; Maximum = 1460.56; FM = 0.835 !Region 1: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 5 10 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 3 2 1 1 1 0 0 3 15 32 18 3 1 1 0 0 1 1 0 0 0 0 0 0 0 2 4 3 1 1 1 0 0 1 4 15 23 11 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 2 5 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 1 1 1 0 0 0 1 2 3 1 1 0 0 0 0 1 1 3 3 1 1 0 0 1 2 5 5 2 1 1 0 0 0 2 5 8 4 1 1 0 0 0 1 2 8 10 4 1 0 0 2 9 26 21 5 2 1 0 0 1 6 26 37 18 4 1 0 0 1 2 10 36 40 12 2 0 1 4 26 83 67 15 2 1 0 0 2 16 76100 42 7 1 0 0 1 4 28 78 71 18 2 0 0 4 24 56 39 9 2 1 0 0 2 13 48 54 22 4 1 0 0 1 3 16 37 32 10 2 0 0 2 7 10 5 2 1 1 0 0 1 4 7 6 4 2 1 0 0 0 1 3 5 5 2 1 0 0 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 9 6 2 0 0 0 0 1 1 3 4 2 0 0 0 0 0 0 1 1 1 0 0 0 1 3 18 35 16 3 1 0 0 0 1 3 9 7 2 1 0 0 0 0 0 1 1 1 0 0 1 1 6 34 53 20 3 1 0 0 1 1 4 11 7 2 0 0 0 0 0 0 1 1 1 0 0 1 1 3 15 22 9 2 0 0 0 1 1 2 5 3 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 3 4 3 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 209.74 Thresh = 0.020 Blend = F #Contributing = 200 InitialProfileWt = 0.000 Region 2 Sum = 246916; Maximum = 24551.5; FM = 0.797 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 3 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 0 1 9 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 0 1 7 13 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 1 5 2 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 7 24 10 0 0 0 0 0 0 9 41 17 1 0 0 0 0 0 5 28 14 1 0 0 0 0 1 22 64 28 1 0 0 0 0 1 31100 45 2 0 0 0 0 1 20 66 32 2 0 0 0 0 1 12 29 8 0 0 0 0 0 1 14 42 13 1 0 0 0 0 0 9 27 10 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 6 1 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 20 10 1 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 8 4 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 110.43 Thresh = 0.020 Blend = F #Contributing = 126 InitialProfileWt = 0.000 Region 3 Sum = 79647.9; Maximum = 6056.19; FM = 0.816 !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 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 12 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 10 23 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 5 1 0 0 0 0 0 2 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 2 13 35 17 1 0 0 0 0 1 13 34 12 1 0 0 0 0 1 6 16 5 1 0 0 0 0 3 31 82 35 2 0 0 0 0 3 40100 34 1 0 0 0 0 2 33 70 20 1 0 0 0 0 2 14 34 12 1 0 0 0 0 2 25 55 18 1 0 0 0 0 3 33 56 19 2 0 0 0 0 0 1 3 1 1 0 0 0 0 1 3 6 3 1 0 0 0 0 1 6 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 14 27 10 1 0 0 0 0 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 17 27 10 1 0 0 0 0 0 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 42.21 Thresh = 0.020 Blend = F #Contributing = 56 InitialProfileWt = 0.001 Region 4 Sum = 16432; Maximum = 757.635; FM = 0.793 !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 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 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 5 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 1 1 0 0 2 12 30 13 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 1 0 0 0 1 8 33 26 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 3 8 10 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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 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 !Region 4: Section 4->6 0 0 1 1 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 3 3 1 1 1 0 0 0 1 2 2 2 1 1 1 0 0 1 1 2 2 2 1 1 0 0 2 8 14 4 2 1 1 0 0 1 4 9 5 2 1 1 0 1 1 2 3 5 4 2 1 1 1 2 20 62 31 4 2 1 0 0 1 10 39 31 7 2 1 0 0 1 3 14 23 11 3 2 1 1 2 13 68 67 13 3 1 0 0 1 7 53 93 35 5 1 1 0 1 3 31100 54 8 2 1 1 2 4 16 27 12 3 1 1 0 1 3 16 65 53 9 2 1 0 1 2 15 95 96 17 2 1 0 1 2 4 4 4 2 1 0 0 1 1 3 12 17 5 1 0 0 1 1 2 18 33 10 2 1 0 1 1 2 2 2 1 1 0 0 1 1 1 2 3 2 1 0 0 1 0 1 2 4 3 1 1 0 0 1 1 1 1 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 2 2 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 6 2 1 0 0 0 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 2 10 39 25 5 1 1 0 0 1 1 1 2 2 1 0 0 0 1 0 0 0 0 1 0 0 1 1 6 39 44 9 1 0 0 0 1 1 2 4 2 1 0 0 0 0 0 1 1 1 1 0 0 1 1 1 8 16 5 1 0 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.91 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.018 Region 5 Sum = 11460; Maximum = 483.941; FM = 0.787 !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 1 1 1 1 0 0 0 0 0 2 1 0 1 1 0 0 0 0 1 2 2 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 6 4 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 4 19 20 7 2 1 0 0 0 0 1 0 1 0 0 0 0 -1 0 2 1 2 1 0 0 0 0 2 20 37 20 5 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 5 15 14 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 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 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 1 1 1 0 0 0 0 !Region 5: Section 4->6 0 0 1 1 1 0 1 0 0 0 0 1 1 2 1 0 0 0 0 0 1 1 2 1 1 1 0 0 2 4 4 3 1 0 0 0 0 1 2 4 4 2 0 0 0 0 1 1 4 5 5 3 1 1 0 3 13 12 6 2 1 0 0 0 2 8 10 7 4 1 0 0 0 1 2 6 9 7 4 2 0 0 7 42 54 23 6 2 0 0 0 4 26 42 27 10 2 0 0 0 1 4 14 25 21 7 1 1 0 5 45100 63 17 4 1 1 0 2 27 72 63 29 6 1 0 0 1 5 17 48 63 25 3 1 0 2 11 40 42 18 5 1 1 0 1 6 27 38 27 9 1 1 1 1 2 6 21 51 33 6 1 0 1 3 7 8 6 2 0 0 0 0 1 6 8 8 4 0 0 0 1 1 2 5 12 12 4 1 0 1 2 3 4 3 1 0 0 0 0 1 2 3 3 2 0 0 0 1 1 1 2 4 4 2 1 0 0 0 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 5: Section 7->9 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 1 1 2 3 3 4 3 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 6 6 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 7 16 19 7 2 1 0 0 1 1 3 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 29 58 28 4 1 0 0 1 2 5 13 7 1 0 0 0 0 1 0 0 0 0 0 1 2 3 4 13 45 36 7 1 0 1 1 1 2 10 9 2 0 0 1 0 1 0 0 0 0 0 1 2 2 2 3 9 12 5 1 0 1 1 1 1 2 3 2 0 0 1 0 0 0 0 0 0 0 0 1 1 1 2 3 4 3 1 0 1 0 0 1 1 1 1 0 0 1 -1 -1 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 I/Sigma = 29.16 Thresh = 0.020 Blend = F #Contributing = 24 InitialProfileWt = 0.046 Region 6 Sum = 8071.64; Maximum = 376.413; FM = 0.718 !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 1 1 1 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 -1 -1 0 0 1 2 4 3 1 0 0 0 0 0 -1 0 -1 0 -1 0 -1 0 1 -1 0 0 0 -1 -1 -1 -1 1 2 5 4 2 1 0 0 0 1 -1 -1 0 -1 0 0 0 0 1 0 1 1 -1 0 0 -1 0 1 5 12 11 4 2 1 0 0 1 0 -1 0 0 -1 0 0 0 1 1 3 3 1 0 0 -1 0 2 10 27 29 13 3 1 1 0 0 -1 -1 -1 0 -1 -1 -1 0 0 0 1 1 1 -1 -1 -1 0 1 5 14 20 11 3 1 0 0 -1 -1 -1 0 0 -1 -1 -1 0 0 -1 -1 0 0 -1 0 -1 0 1 1 1 3 2 1 1 0 0 0 -1 -1 -1 1 -1 -1 -1 0 0 -1 -1 -1 0 -1 -1 -2 -1 0 0 1 1 1 0 1 0 0 0 -1 0 0 0 0 0 -1 0 0 0 0 0 0 -1 0 -1 0 0 0 1 1 0 0 0 0 0 !Region 6: Section 4->6 0 0 1 2 1 0 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 2 2 0 0 0 2 4 4 2 1 0 0 0 0 1 2 2 3 2 1 0 0 0 0 0 2 4 5 3 1 0 0 3 7 7 4 2 1 1 0 0 1 3 5 6 5 2 1 1 0 0 1 4 8 10 4 1 0 1 6 18 19 8 3 2 1 0 0 2 8 17 22 18 7 1 0 0 1 3 14 35 41 17 3 0 1 12 37 46 26 9 3 2 1 0 4 14 32 46 44 19 4 0 0 1 4 21 66100 51 10 1 1 6 19 30 21 8 3 2 1 0 2 7 16 26 30 17 4 0 0 2 2 8 31 61 43 10 1 0 1 2 5 4 3 1 1 0 0 1 2 3 6 8 5 2 1 0 1 2 3 7 14 12 5 1 0 1 2 2 2 1 2 1 0 0 0 1 2 2 3 3 2 1 0 1 1 1 3 6 6 3 1 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 !Region 6: Section 7->9 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 0 1 1 1 2 5 6 3 1 0 1 1 1 1 1 2 1 1 0 0 1 0 1 1 1 1 1 1 1 1 2 6 17 26 12 2 0 1 0 1 2 1 3 2 1 0 0 0 1 1 1 1 1 1 0 1 1 2 8 32 63 38 8 1 1 1 1 1 1 5 5 2 1 0 0 1 1 0 1 1 1 1 0 1 2 3 14 36 31 9 1 0 1 1 1 2 3 4 3 1 0 1 1 1 1 1 1 1 1 0 1 1 2 4 8 8 4 1 0 0 1 1 1 2 2 1 0 0 0 0 1 1 1 1 1 0 0 1 1 1 2 3 4 2 1 0 1 1 0 1 0 1 2 0 1 1 1 0 1 0 1 1 0 0 1 0 0 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.50 Thresh = 0.020 Blend = F #Contributing = 41 InitialProfileWt = 0.008 Region 7 Sum = 11049.2; Maximum = 616.591; FM = 0.842 !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 0 0 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 1 1 0 0 1 0 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 3 4 4 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 1 5 10 11 6 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 2 6 7 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 4->6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 1 0 1 2 1 2 1 0 0 0 0 0 1 1 1 1 0 1 2 2 2 3 3 1 1 0 0 1 2 3 6 6 4 1 1 0 0 0 1 4 6 4 1 1 1 3 9 16 18 11 4 1 1 0 2 9 25 46 37 14 3 1 0 1 3 12 34 37 18 4 1 1 6 24 46 39 18 4 1 0 1 4 24 76100 57 15 3 1 0 1 8 40 73 55 22 5 1 2 6 15 28 20 8 2 0 0 1 3 16 47 46 21 6 2 0 0 1 6 25 32 19 9 3 0 1 2 2 4 3 2 1 0 0 1 1 3 7 5 3 2 2 0 0 0 1 4 3 3 2 2 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 !Region 7: Section 7->9 0 -1 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 1 0 0 0 1 1 6 15 16 8 2 0 0 1 0 1 4 9 8 2 0 0 0 0 0 0 1 2 0 0 0 1 4 12 22 23 9 1 0 0 1 1 2 6 12 7 1 0 0 0 0 0 0 2 1 0 0 0 0 3 5 8 10 5 1 0 -1 -1 0 1 2 5 3 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 61.79 Thresh = 0.020 Blend = F #Contributing = 46 InitialProfileWt = 0.014 Region 8 Sum = 24986.4; Maximum = 1147.11; FM = 0.845 !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 1 1 1 0 0 0 0 0 1 2 2 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 0 2 4 4 2 1 1 1 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 1 1 0 0 1 3 8 9 4 2 1 1 0 0 1 1 1 0 0 0 0 0 1 3 3 3 1 1 0 1 0 1 4 15 21 10 2 1 1 0 0 1 1 0 0 0 0 0 0 1 2 4 3 1 1 0 1 0 1 4 13 16 7 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 0 1 1 0 0 3 5 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 0 0 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 8: Section 4->6 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 2 2 1 1 1 0 0 0 1 2 2 2 1 1 0 0 0 0 2 2 4 3 1 0 0 2 4 6 4 3 2 1 0 0 1 2 6 11 9 3 1 0 0 1 1 4 13 19 8 2 1 0 3 11 22 22 8 2 1 0 0 1 5 25 57 36 8 2 0 0 1 2 16 60 61 18 3 1 1 4 23 63 54 11 2 1 0 0 2 14 69100 42 8 1 0 0 1 4 29 77 61 16 2 0 1 4 21 48 31 5 1 1 0 0 2 14 49 46 14 3 1 0 0 1 4 16 28 18 5 1 1 0 2 5 7 5 2 1 1 0 0 1 3 7 5 3 2 1 0 0 0 1 3 4 4 2 1 0 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 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 !Region 8: 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 5 4 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 1 2 7 16 8 2 1 0 0 1 1 2 5 4 2 1 0 0 1 1 0 0 1 1 0 0 0 1 5 24 37 16 4 1 0 0 1 1 3 8 7 4 1 0 0 0 0 0 1 2 2 1 0 1 1 6 24 30 13 4 1 0 1 1 1 2 5 7 4 1 0 0 0 0 1 1 2 2 0 0 1 1 2 7 9 6 3 1 0 0 1 0 1 2 4 3 1 0 0 0 0 0 1 2 2 0 0 0 1 1 2 2 2 1 1 0 0 1 1 1 1 2 2 1 0 0 0 1 1 0 1 1 0 0 0 0 1 1 1 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 143.07 Thresh = 0.020 Blend = F #Contributing = 138 InitialProfileWt = 0.000 Region 9 Sum = 122699; Maximum = 11220; FM = 0.785 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 5 17 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 0 0 0 0 0 1 6 14 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 4 1 0 0 0 0 0 1 5 8 3 0 0 0 0 0 1 5 20 6 0 0 0 0 0 1 11 38 13 1 0 0 0 0 1 16 43 15 1 0 0 0 0 1 18 75 34 1 0 0 0 0 1 25100 42 1 0 0 0 0 1 20 68 24 1 0 0 0 0 2 14 42 20 1 0 0 0 0 1 12 44 19 1 0 0 0 0 0 5 19 6 0 0 0 0 0 1 3 5 3 0 0 0 0 0 0 2 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 6 3 1 0 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 9 20 8 1 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 7 24 8 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 5 Total topped/rescanned pixels: 46 Minimum pixel ceiling(frame): 163809(neal054_12_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_12_0001.sfrm) Total spots predicted: 949 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 104* Outside frame limits: 47* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 3* 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: 795 Total spot components written: 795 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 795 Twin overlaps written: 0 Average Intensity: 39772.93 Average I/sigma: 70.463 % over "strong" threshold: 87.04 % less than 2 sigma: 1.26 % which spanned more than 1 frame: 91.57 Average X,Y,Z positional errors: 0.16 -0.02 -0.03 RMS X,Y,Z positional errors: 0.77 0.39 0.16 % X,Y,Z more than 0.5 pixel: 13.21 7.80 1.76 % X,Y,Z more than 1.0 pixel: 6.29 2.77 0.38 Avg % profile volume populated: 98.18 Avg % profile volume integrated: 15.88 Avg % profile missing I: 1.67 Avg % profile missing volume: 1.82 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 88.89 100.00 100.00 Max % intensity on XYZ boundaries: 2.23 7.62 2.97 Average spot-shape correlation: 0.773 RMS spot-shape correlation: 0.787 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.149 0.116 5 1.0 2.0 0.410 0.129 5 2.0 4.0 0.460 0.168 24 4.0 8.0 0.664 0.114 41 8.0 16.0 0.771 0.101 100 16.0 32.0 0.799 0.099 182 32.0 64.0 0.789 0.114 230 64.0 128.0 0.834 0.125 131 128.0 256.0 0.870 0.105 77 Write-behind Cache Diagnostics Entered in Write-Behind Cache: 0 Removed from WBC: 0 Partial overlaps from WBC: 0 Exceeding queue size from WBC: 0 With > 12 components from WBC: 0 Elapsed since program start (sec): 180.161 Elapsed since INTEGRATE command (sec): 178.685 Integration time, this run (sec): 4.944 Time in unit-cell LS (sec): 0.019 Per-frame integration time (sec): 0.054 Integration completed normally ======================== 10/26/2021 10:24:53 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.0094641 will be applied to LS-fit intensities Number of spots read: 795 Number of LS-fit intensities scaled: 89 Number rejected due to poor spot shape: 1 Number unwritable (I, sigma too large): 0 Number written: 794 Sorting Reflection File ============================== 10/26/2021 10:24:53 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_12.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... 794 spot components in 794 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 794 spot components in 794 spots written to file /smb/isengard/data/neal054/work/neal054_12.raw Computing Reflection File Statistics ========== 10/26/2021 10:24:53 Integration of neal054 ................................................................................... Statistics for reflections in neal054_12.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 794 Number of reflection records read = 794 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 794 Number of spot components used = 794 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_12.raw Lattice: P (Primitive) Point group "2/m(B-unique)", #3 (internal number) 4 symmetry operators 1 0 0 -1 0 0 -1 0 0 1 0 0 0 1 0 0 1 0 0-1 0 0-1 0 0 0 1 0 0-1 0 0-1 0 0 1 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents. Components in the sample map (* marks current component) Component Wanted A B C Alpha Beta Gamma PointGp Constraints 1.1(1)* Y 6.244 11.751 13.012 90.000 96.594 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 18 2 16 4 11.1 9111.367 20.75 10.74 0.024 0.000 0.6 0.000 0.047 0.00 3.1 .01-.05 3.9 1.4 .60 32.000 23 1 22 2 4.3 6996.013 18.72 10.83 0.050 0.000 1.5 0.000 0.105 0.00 .67-.13-.07 1.7 .68 .42 64.000 40 3 37 6 5.0 7986.226 20.96 10.90 0.078 0.000 2.1 0.000 0.164 0.00 .22-.03-.04 1.3 .64 .24 96.000 53 3 50 6 0.0 9986.649 23.94 11.02 0.008 0.000 0.1 0.000 0.016 0.00 .17 .05-.03 .77 .60 .16 128.000 70 5 65 10 1.4 14617.673 29.23 11.31 0.103 0.000 3.0 0.000 0.205 0.00 .12-.11-.06 .47 .56 .16 160.000 90 7 84 13 2.2 15855.793 30.51 11.73 0.118 0.000 3.6 0.000 0.250 0.00 .04-.02-.01 .30 .29 .13 192.000 120 11 114 17 0.8 23684.706 40.26 12.22 0.040 0.001 1.6 0.000 0.086 0.00 .11 .01-.03 .19 .16 .08 224.000 128 13 124 17 0.0 34012.435 54.43 12.79 0.060 0.002 3.2 0.000 0.131 0.00 .13 .01-.03 .16 .20 .08 256.000 101 16 98 19 0.0 55130.943 83.77 13.65 0.070 -0.001 5.7 0.000 0.141 0.00-.04-.02-.02 .07 .11 .08 288.000 78 19 75 24 1.3 85651.833 125.37 14.93 0.074 0.010 9.1 0.000 0.149 0.00-.02-.00-.01 .06 .14 .11 320.000 43 11 42 17 0.0 113740.10 176.81 14.40 0.048 0.007 8.1 0.000 0.074 0.00 .00-.01 .01 .06 .07 .08 352.000 18 7 17 12 0.0 125404.91 222.41 14.49 0.083 -0.027 19.5 0.000 0.171 0.00-.01-.02 .01 .07 .04 .07 384.000 10 3 9 6 0.0 124420.37 283.46 13.93 0.052 -0.013 20.5 0.000 0.265 0.00-.16-.07-.02 .25 .32 .11 416.000 2 1 2 1 0.0 77912.475 351.85 13.46 0.189 -0.189 70.9 0.000 0.378 0.00-.29 .00 .17 .29 .06 .18 448.000 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_12.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 18 11 18 11 5.6 21025.434 45.08 11.07 0.064 -0.027 3.3 0.000 0.129 0.00 .12 .23-.11 .40 .49 .21 32.000 48 24 48 24 0.0 29636.075 60.34 11.35 0.071 -0.024 8.4 0.000 0.142 0.00 .07 .03-.01 .43 .33 .09 64.000 75 34 75 34 2.7 33014.653 64.12 11.77 0.073 -0.031 6.9 0.000 0.146 0.00 .41 .14-.05 1.4 .56 .17 96.000 94 22 94 22 0.0 40291.056 72.55 12.57 0.050 -0.001 6.3 0.000 0.100 0.00 .16 .00 .01 .84 .23 .18 128.000 119 37 119 37 0.8 49521.630 80.48 13.54 0.078 0.017 6.8 0.000 0.157 0.00 .07-.01-.01 .34 .10 .12 160.000 133 8 133 9 1.5 45153.244 73.05 13.59 0.099 0.004 4.8 0.000 0.211 0.00 .07 .00-.01 .55 .07 .14 192.000 113 1 112 6 0.0 46457.167 77.63 13.14 0.042 0.004 7.8 0.000 0.105 0.00 .11 .00-.03 .72 .16 .18 224.000 81 1 80 7 0.0 39897.197 69.60 12.33 0.065 -0.006 10.7 0.000 0.024 0.00 .12 .01-.02 .43 .23 .10 256.000 60 0 59 3 5.0 32330.649 64.94 11.67 0.084 -0.000 12.2 0.000 0.000 0.00 .08-.02-.02 .70 .42 .12 288.000 40 0 40 0 2.5 23658.392 48.50 11.19 0.000 0.000 0.0 0.000 0.000 0.00 .54-.36-.10 1.5 .86 .32 320.000 13 0 13 1 0.0 22036.016 41.37 11.20 0.032 0.003 3.0 0.000 0.000 0.00 .50-1.1-.16 1.1 1.7 .24 352.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 384.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 416.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 448.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 480.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 512.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 29 0 29 0 0.0 37199.393 63.53 12.37 0.000 0.000 0.0 0.000 0.000 0.00 .05 .08-.02 .11 .15 .09 30.000 80 0 80 1 0.0 44766.630 69.82 12.74 0.078 0.005 15.5 0.000 0.000 0.00 .05 .02-.02 .13 .13 .06 60.000 124 1 123 6 0.8 48774.803 78.88 13.50 0.084 -0.001 7.2 0.000 0.196 0.00 .03 .00-.01 .13 .21 .10 90.000 145 11 143 17 1.4 51294.458 79.52 13.42 0.090 0.006 10.8 0.000 0.233 0.00 .09-.06-.02 .26 .24 .10 120.000 123 32 123 34 0.8 38447.655 67.53 12.95 0.051 0.010 5.2 0.000 0.108 0.00 .07-.06-.03 .36 .41 .13 150.000 109 22 108 25 0.9 37984.424 73.63 12.29 0.055 0.009 4.6 0.000 0.119 0.00 .03-.08-.01 .50 .38 .13 180.000 71 29 71 29 2.8 35742.795 75.02 11.61 0.057 -0.022 6.0 0.000 0.113 0.00 .10-.04-.02 .96 .44 .21 210.000 63 26 63 26 1.6 21589.180 46.61 11.18 0.102 -0.047 8.4 0.000 0.205 0.00 .45-.02-.06 1.0 .46 .19 240.000 37 13 37 13 0.0 17347.463 39.28 10.96 0.099 -0.027 10.5 0.000 0.198 0.00 .54-.02-.05 1.7 .76 .39 270.000 13 3 13 3 15.4 4762.853 13.77 10.73 0.046 -0.011 0.9 0.000 0.091 0.00 2.6 .83-.04 3.8 1.3 .48 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 81 0 81 0 3.7 16547.804 34.19 11.23 0.000 0.000 0.0 0.000 0.000 0.00 .42-.34-.06 1.3 .96 .26 2.000 32 0 31 4 3.1 57258.460 107.16 12.01 0.081 0.000 9.9 0.000 0.000 0.00-.04-.08-.07 .13 .27 .12 3.000 461 40 426 75 1.3 20562.467 38.38 11.94 0.067 0.001 2.3 0.000 0.139 0.00 .21 .04-.03 .87 .31 .17 4.000 220 34 186 75 0.0 86204.267 130.52 14.57 0.068 -0.001 11.3 0.000 0.137 0.00-.03-.01 .00 .07 .09 .09 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 250 1 248 7 0.4 45169.926 73.18 13.10 0.081 0.001 8.4 0.000 0.196 0.00 .04 .01-.02 .14 .18 .09 2.000 11 0 9 7 0.0 129040.31 256.14 14.00 0.055 -0.011 11.9 0.000 0.000 0.00 .02-.03-.01 .11 .04 .09 3.000 2 0 2 1 0.0 29472.101 77.83 11.39 0.032 0.016 3.0 0.000 0.000 0.00-.39-.75-.26 .45 .78 .27 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 11 0 11 0 0.0 11952.143 24.99 11.04 0.000 0.000 0.0 0.000 0.000 0.00 .79-1.1-.13 1.2 1.7 .20 6.000 79 3 79 3 3.8 11649.380 26.22 11.04 0.043 -0.002 1.2 0.000 0.086 0.00 .55-.22-.07 1.6 .73 .33 7.000 199 23 186 36 2.5 13294.513 27.78 11.47 0.094 0.000 2.2 0.000 0.170 0.00 .25 .09-.02 1.1 .42 .20 8.000 189 44 154 79 0.5 43381.131 70.32 12.92 0.054 0.000 4.4 0.000 0.108 0.00 .07-.01-.03 .14 .15 .08 9.000 53 10 44 21 0.0 131124.40 194.17 15.72 0.085 0.001 23.3 0.000 0.167 0.00-.04-.02 .04 .09 .07 .09 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.880 30 6 30 6 0.0 28853.773 54.65 12.65 0.108 -0.002 5.2 0.000 0.216 0.00 .07 .01 .03 1.3 .45 .14 6.242 40 15 40 15 0.0 38805.898 61.23 12.22 0.065 0.003 2.7 0.000 0.130 0.00 .01-.01-.00 .32 .26 .09 10.604 49 14 49 17 0.0 38604.193 71.44 12.69 0.081 -0.018 7.3 0.000 0.224 0.00 .02 .00-.02 .46 .27 .14 14.966 42 17 42 17 4.8 55418.625 89.03 12.46 0.061 -0.014 5.7 0.000 0.123 0.00 .31-.03 .02 1.3 .57 .11 19.328 31 14 31 14 0.0 33889.215 62.03 12.56 0.078 -0.003 3.8 0.000 0.155 0.00 .03-.06 .04 .24 .14 .11 23.690 39 12 39 12 5.1 34425.100 63.78 12.48 0.065 -0.001 5.3 0.000 0.129 0.00 .13-.02-.01 .90 .25 .11 28.052 44 14 42 17 0.0 34880.950 59.64 12.33 0.109 0.030 6.8 0.000 0.228 0.00 .16 .01-.02 .83 .31 .13 32.414 37 5 36 7 0.0 34933.665 64.27 12.40 0.085 0.005 5.8 0.000 0.182 0.00 .20-.16-.04 .56 .68 .12 36.776 42 5 39 8 0.0 42069.149 75.35 12.72 0.084 -0.002 11.4 0.000 0.127 0.00 .18-.06 .00 .82 .51 .13 41.138 37 6 36 7 2.7 44685.555 85.81 12.83 0.064 0.018 9.2 0.000 0.132 0.00 .09-.05-.00 .31 .36 .14 45.500 39 3 39 4 5.1 43570.899 75.96 12.54 0.058 -0.004 8.0 0.000 0.133 0.00 .12-.06-.04 .68 .32 .15 49.862 44 6 44 6 0.0 51025.711 85.92 12.90 0.103 -0.009 18.2 0.000 0.206 0.00 .23-.05-.09 1.1 .54 .33 54.224 44 2 44 3 0.0 28153.818 54.27 12.31 0.036 -0.000 2.7 0.000 0.067 0.00 .20-.01-.05 .66 .24 .15 58.586 36 2 36 2 0.0 33018.273 61.03 12.41 0.024 -0.004 3.8 0.000 0.048 0.00 .24-.03-.03 .72 .36 .15 62.948 40 2 40 3 0.0 40725.009 73.40 12.88 0.059 -0.005 8.8 0.000 0.069 0.00 .14 .02-.04 .34 .19 .13 67.310 37 2 37 2 2.7 34190.931 60.97 12.35 0.013 -0.001 4.8 0.000 0.026 0.00 .23-.05-.06 .58 .62 .11 71.672 41 3 41 4 0.0 36350.900 64.23 12.49 0.031 -0.006 4.0 0.000 0.059 0.00 .33 .02-.05 1.1 .26 .11 76.034 43 0 43 3 0.0 54929.318 95.85 12.99 0.036 0.005 7.1 0.000 0.000 0.00-.01 .04-.01 .61 .44 .17 80.396 40 2 40 3 5.0 39820.769 67.15 12.50 0.054 0.006 27.4 0.000 0.065 0.00 .21 .07-.02 .67 .22 .24 84.758 39 1 39 4 0.0 41744.995 71.06 13.23 0.064 0.011 8.0 0.000 0.018 0.00 .21 .08-.04 .73 .33 .25 89.120 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 90 12 85 18 0.0 39328.566 70.37 12.60 0.082 0.001 7.8 0.000 0.139 0.00 .16-.10-.01 .67 .56 .13 10.000 90 7 87 11 3.3 48597.453 85.40 12.65 0.063 0.005 9.1 0.000 0.131 0.00 .18-.08-.05 .87 .48 .24 20.000 91 6 90 8 0.0 32187.608 60.02 12.57 0.094 -0.005 13.9 0.000 0.197 0.00 .15-.01-.05 .60 .28 .15 30.000 91 6 91 7 1.1 38606.911 68.93 12.60 0.038 -0.004 6.3 0.000 0.048 0.00 .19-.02-.05 .52 .42 .14 40.000 98 4 98 8 0.0 42945.474 75.54 12.70 0.042 -0.001 12.8 0.000 0.099 0.00 .14 .04-.03 .87 .35 .14 50.000 66 2 66 6 3.0 43427.168 73.53 12.93 0.050 0.012 8.1 0.000 0.011 0.00 .25 .07-.03 .74 .30 .27 60.000 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 70.000 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 80.000 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 90.000 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 .00 100.000 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 .00 110.000 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 .00 120.000 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 .00 130.000 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 .00 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 83 22 82 24 0.0 34029.539 58.70 12.45 0.084 -0.003 4.1 0.000 0.147 0.00 .02 .01 .02 .80 .33 .12 340.000 92 30 88 36 2.2 45474.498 78.41 12.54 0.068 -0.015 6.0 0.000 0.159 0.00 .16-.03-.01 .95 .44 .12 350.000 93 28 86 36 2.2 34175.062 62.14 12.43 0.086 0.015 5.7 0.000 0.158 0.00 .15-.00-.01 .82 .27 .13 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9.830 64 16 63 17 0.0 35889.655 59.61 12.43 0.080 0.001 3.9 0.000 0.152 0.00 .05 .00 .00 .89 .35 .11 9.880 93 30 88 38 2.2 40191.597 71.40 12.51 0.069 -0.018 6.0 0.000 0.153 0.00 .14-.02 .00 .96 .45 .14 9.930 84 28 81 32 2.4 39616.434 72.14 12.57 0.088 0.006 5.7 0.000 0.176 0.00 .09-.03 .00 .63 .20 .10 9.980 77 13 73 18 0.0 33461.347 60.64 12.41 0.082 0.010 5.1 0.000 0.178 0.00 .19-.09-.03 .75 .54 .14 10.030 84 9 77 17 2.4 50420.533 86.31 12.74 0.072 0.003 10.2 0.000 0.162 0.00 .15-.05-.01 .65 .44 .13 10.080 61 4 60 5 1.6 38036.572 69.03 12.53 0.071 0.002 5.6 0.000 0.143 0.00 .19-.06-.06 1.0 .51 .28 10.130 76 5 76 6 0.0 33344.525 62.20 12.59 0.098 -0.008 17.2 0.000 0.198 0.00 .16-.02-.06 .64 .30 .15 10.180 95 6 95 7 1.1 38058.278 68.47 12.60 0.038 -0.004 6.3 0.000 0.048 0.00 .20-.02-.05 .52 .42 .14 10.230 84 3 84 7 0.0 45195.781 79.80 12.72 0.034 0.001 5.3 0.000 0.059 0.00 .14 .03-.03 .92 .37 .15 10.280 75 3 75 7 2.7 41400.836 69.55 12.82 0.058 0.009 16.3 0.000 0.052 0.00 .24 .07-.03 .70 .29 .25 10.330 1 0 1 0 0.0 71033.797 111.86 17.00 0.000 0.000 0.0 0.000 0.000 0.00-.07-.04 .00 .07 .04 .00 10.380 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 10.430 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.480 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.530 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.580 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.630 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.680 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.730 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.780 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 10.830 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 13.000 794 69 717 154 1.3 39819.747 70.48 12.60 0.068 0.000 6.9 0.000 0.135 0.00 .16-.02-.03 .77 .39 .16 14.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3 1 3 1 66.7 116.971 0.69 10.99 0.304 0.548 1.0 0.000 0.609 0.00 .14 .07 .22 .57 .12 .30 0.100 5 1 5 1 80.0 87.060 0.42 10.98 0.778 -0.441 0.7 0.000 1.557 0.00 .97 .31-.04 3.9 1.3 .42 0.200 4 0 4 0 0.0 387.770 2.60 11.60 0.000 0.000 0.0 0.000 0.000 0.00-.29 .11-.04 .84 .35 .15 0.300 2 0 2 0 0.0 406.602 2.33 11.39 0.000 0.000 0.0 0.000 0.000 0.00-.11-.29 .07 .23 .35 .08 0.400 19 2 18 3 21.1 4356.279 16.70 11.59 0.041 -0.001 0.1 0.000 0.112 0.00 .09-.04 .02 .74 .44 .17 0.500 54 5 53 6 0.0 30727.699 52.76 12.54 0.117 0.002 2.3 0.000 0.223 0.00 .27 .02-.04 .52 .20 .12 0.600 125 11 123 14 0.0 29919.003 55.41 12.86 0.073 0.003 4.0 0.000 0.155 0.00 .12 .04-.00 .82 .39 .20 0.700 173 23 169 27 0.0 31831.681 54.71 12.30 0.073 0.002 3.2 0.000 0.149 0.00 .21-.00-.03 .88 .34 .15 0.800 268 37 261 47 0.0 38764.515 66.09 12.57 0.064 0.009 6.7 0.000 0.124 0.00 .17-.02-.04 .71 .35 .18 0.900 141 35 129 55 0.0 72595.864 121.38 13.08 0.069 -0.011 10.7 0.000 0.138 0.00 .05-.10-.02 .35 .51 .11 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 775 69 703 149 1.2 40396.323 71.38 12.64 0.068 0.000 7.1 0.000 0.135 0.00 .09-.01-.02 .52 .27 .14 0.050 2 0 2 0 0.0 4585.050 14.53 10.97 0.000 0.000 0.0 0.000 0.000 0.00 1.7 .42 .72 2.4 .62 .96 0.100 4 1 4 1 0.0 15529.350 38.14 10.99 0.097 -0.010 1.6 0.000 0.193 0.00 1.6 .15-.20 3.1 .83 .25 0.150 1 0 1 0 0.0 46015.000 50.23 11.13 0.000 0.000 0.0 0.000 0.000 0.00 .75-1.3-.14 .75 1.3 .14 0.200 3 1 3 1 0.0 19157.734 31.17 10.85 0.012 0.003 0.3 0.000 0.023 0.00 3.0 .23-.24 3.4 1.7 .24 0.250 2 0 2 1 0.0 23058.000 50.39 11.08 0.032 0.020 3.0 0.000 0.000 0.00 2.3-.41-.34 3.7 .68 .34 0.300 2 1 2 1 0.0 16258.000 36.14 11.00 0.122 -0.107 7.1 0.000 0.244 0.00 2.6 1.3-.25 3.8 1.5 .25 0.350 2 1 2 1 50.0 2548.451 6.69 10.85 0.778 -0.038 0.7 0.000 1.557 0.00 5.1-.32-.08 5.6 3.0 .30 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 2 0 2 0 0.0 20542.250 24.25 10.73 0.000 0.000 0.0 0.000 0.000 0.00 5.3-2.6-.87 5.5 2.7 1.4 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 1 0 1 0 0.0 10139.600 14.05 11.00 0.000 0.000 0.0 0.000 0.000 0.00 2.5-3.9-.38 2.5 3.9 .38 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 58 5 57 7 0.0 32539.424 69.91 12.63 0.109 -0.008 11.5 0.000 0.263 0.00 .01-.01-.01 .55 .40 .13 0.050 40 6 39 9 5.0 44447.861 74.75 12.55 0.053 0.002 5.4 0.000 0.108 0.00 .11 .03-.03 .34 .19 .11 0.100 37 6 37 6 2.7 31373.876 55.73 12.73 0.092 -0.007 3.7 0.000 0.183 0.00 .19-.02-.03 .51 .21 .17 0.150 25 5 25 6 0.0 47033.034 75.62 12.63 0.024 -0.002 3.2 0.000 0.047 0.00 .06 .00-.03 .40 .11 .11 0.200 36 3 36 3 0.0 22892.931 47.69 12.73 0.110 -0.004 3.6 0.000 0.220 0.00 .26 .08-.06 .92 .34 .22 0.250 37 8 37 8 0.0 60343.933 85.42 13.23 0.073 -0.008 9.3 0.000 0.147 0.00 .05-.04 .01 .19 .11 .09 0.300 40 10 40 10 0.0 45342.801 75.15 12.77 0.062 -0.007 6.8 0.000 0.125 0.00 .27 .05-.06 1.1 .36 .16 0.350 32 9 32 9 3.1 43374.771 73.81 12.95 0.047 -0.007 4.9 0.000 0.093 0.00 .09-.06-.02 .51 .22 .09 0.400 50 6 50 7 0.0 44464.815 78.41 12.68 0.094 0.015 8.7 0.000 0.190 0.00 .12-.00-.01 .47 .30 .11 0.450 49 9 48 11 0.0 37741.932 71.20 12.22 0.034 0.014 4.2 0.000 0.091 0.00 .17 .04-.06 .58 .32 .11 0.500 34 8 34 8 0.0 20629.010 50.18 12.20 0.144 0.048 7.2 0.000 0.288 0.00 .17-.00-.05 .51 .33 .15 0.550 33 5 32 10 3.0 49910.990 81.25 12.95 0.087 -0.009 8.7 0.000 0.132 0.00 .34-.23-.10 1.3 .86 .35 0.600 35 8 34 9 0.0 74400.742 102.69 13.61 0.079 0.013 5.7 0.000 0.157 0.00 .37-.21-.03 1.2 .74 .12 0.650 31 4 31 4 0.0 49667.261 77.94 12.75 0.137 -0.015 19.4 0.000 0.274 0.00 .43 .04 .02 1.3 .56 .27 0.700 43 9 43 9 4.7 39517.602 64.70 12.65 0.050 -0.002 4.4 0.000 0.101 0.00 .05 .05 .01 1.3 .45 .17 0.750 39 6 39 6 0.0 43961.706 73.68 12.41 0.096 -0.015 15.2 0.000 0.193 0.00 .15-.03-.01 .54 .23 .10 0.800 50 7 50 8 0.0 26290.009 49.27 12.44 0.069 0.002 4.0 0.000 0.139 0.00 .09 .02-.03 .41 .20 .14 0.850 41 11 41 11 0.0 31849.002 56.14 12.22 0.094 -0.015 10.1 0.000 0.188 0.00 .27-.05-.03 .94 .54 .17 0.900 45 7 45 7 6.7 26759.716 55.92 12.02 0.027 0.003 2.8 0.000 0.055 0.00 .00-.08 .03 .69 .30 .18 0.950 39 5 39 6 0.0 39831.465 76.27 12.08 0.070 0.014 4.2 0.000 0.112 0.00 .09 .01-.03 .46 .33 .15 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.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 1054.309 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2108.617 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4217.234 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8434.469 5 0 5 0 0.0 8224.540 23.10 13.02 0.000 0.000 0.0 0.000 0.000 0.00 .05 .09-.11 .10 .14 .14 16868.938 303 32 298 38 1.0 21380.413 39.84 12.82 0.081 0.001 3.4 0.000 0.169 0.00 .05 .01-.01 .22 .11 .11 33737.875 278 41 270 50 0.7 31596.060 56.35 12.25 0.071 0.002 4.2 0.000 0.137 0.00 .08 .01-.03 .53 .24 .15 67475.750 171 31 165 41 2.9 54886.474 95.13 12.48 0.066 0.004 6.1 0.000 0.115 0.00 .42-.09-.03 1.3 .70 .21 134951.500 27 12 23 18 0.0 176712.42 207.94 13.83 0.069 -0.006 19.0 0.000 0.140 0.00 .55-.09-.08 1.8 .85 .38 269903.000 10 4 9 7 0.0 215696.37 320.66 14.04 0.057 -0.015 19.1 0.000 0.169 0.00-.12-.08-.02 .23 .31 .12 539806.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.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 1.816 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.632 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.448 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.264 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.080 66 7 63 10 6.1 8404.673 20.98 10.80 0.046 0.002 1.0 0.000 0.100 0.00 1.2-.05-.06 2.4 .97 .40 10.896 442 55 416 83 1.4 21566.986 42.24 11.66 0.080 -0.011 5.5 0.000 0.167 0.00 .08-.02-.03 .47 .37 .14 12.712 175 25 173 33 0.0 53762.518 82.16 13.47 0.064 -0.006 9.7 0.000 0.123 0.00 .06 .01-.02 .14 .08 .08 14.528 72 17 72 21 0.0 105805.52 143.41 15.42 0.048 0.011 7.6 0.000 0.095 0.00-.02-.03-.01 .07 .05 .07 16.344 39 5 39 7 0.0 115464.72 156.27 17.12 0.110 0.016 17.9 0.000 0.299 0.00-.01-.02 .04 .05 .05 .12 18.160 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 8 0 8 0 0.0 2009.265 8.44 10.93 0.000 0.000 0.0 0.000 0.000 0.00-2.1 .35 .27 2.2 .93 .35 -1.380 2 2 2 2 0.0 5915.350 16.74 11.21 0.078 -0.050 1.2 0.000 0.156 0.00-1.3-.41 .25 1.3 .57 .32 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 0 1 0 0.0 6033.000 16.02 10.85 0.000 0.000 0.0 0.000 0.000 0.00-1.0 .30-.72 1.0 .30 .72 -1.020 5 0 5 0 20.0 4205.879 14.52 11.08 0.000 0.000 0.0 0.000 0.000 0.00-.95-.22 .18 .95 .41 .21 -0.900 1 0 1 0100.0 -395.258 -1.86 10.68 0.000 0.000 0.0 0.000 0.000 0.00-.79-.74-.72 .79 .74 .72 -0.780 10 0 10 0 0.0 5348.510 15.04 11.09 0.000 0.000 0.0 0.000 0.000 0.00-.70-.02 .14 .70 .40 .18 -0.660 5 2 5 3 0.0 14927.581 36.68 11.26 0.031 0.021 1.6 0.000 0.061 0.00-.57-.35 .07 .57 .48 .22 -0.540 2 0 2 0 0.0 8240.598 23.25 10.89 0.000 0.000 0.0 0.000 0.000 0.00-.49-.33 .10 .50 .36 .11 -0.420 9 1 9 1 0.0 15448.156 35.48 11.86 0.044 -0.009 1.8 0.000 0.087 0.00-.36-.13 .10 .36 .22 .11 -0.300 26 7 26 7 7.7 15754.393 39.53 11.53 0.204 -0.125 23.2 0.000 0.407 0.00-.25 .06 .06 .25 .24 .10 -0.180 91 16 91 17 1.1 49518.546 86.72 13.17 0.042 -0.002 5.2 0.000 0.096 0.00-.10 .00 .03 .11 .14 .11 -0.060 269 41 244 74 0.7 65662.216 102.54 13.49 0.067 0.004 8.5 0.000 0.129 0.00-.00-.01-.00 .03 .09 .08 0.060 184 20 176 31 0.0 31651.209 51.72 12.49 0.070 -0.003 4.3 0.000 0.133 0.00 .12 .00-.04 .12 .11 .12 0.180 80 7 80 7 0.0 24083.887 43.13 12.10 0.109 0.006 4.3 0.000 0.218 0.00 .22-.00-.06 .23 .16 .10 0.300 25 4 25 4 0.0 12386.111 27.38 11.78 0.036 0.004 1.0 0.000 0.073 0.00 .36 .02-.14 .36 .42 .17 0.420 5 1 5 1 0.0 14823.120 28.45 11.06 0.097 -0.009 1.6 0.000 0.193 0.00 .47 .19-.03 .47 .41 .12 0.540 11 1 11 1 0.0 7544.752 20.35 11.09 0.009 0.000 0.0 0.000 0.017 0.00 .58 .20-.16 .58 .40 .17 0.660 10 0 10 0 0.0 11966.045 27.61 11.15 0.000 0.000 0.0 0.000 0.000 0.00 .71-.13-.15 .71 .57 .16 0.780 6 1 6 1 0.0 8379.200 22.48 11.09 0.124 -0.003 0.7 0.000 0.248 0.00 .87 .12-.18 .87 .71 .20 0.900 6 2 6 2 0.0 15029.278 30.35 10.91 0.077 0.011 1.3 0.000 0.154 0.00 .94-.47-.08 .94 .93 .31 1.020 4 0 4 0 0.0 3884.150 12.19 10.91 0.000 0.000 0.0 0.000 0.000 0.00 1.0 .38-.15 1.0 .44 .15 1.140 2 0 2 0 0.0 3647.615 12.55 11.13 0.000 0.000 0.0 0.000 0.000 0.00 1.2-.71-.31 1.2 .72 .31 1.260 2 0 2 0 0.0 4666.000 13.30 11.07 0.000 0.000 0.0 0.000 0.000 0.00 1.3-.13-.54 1.3 .80 .58 1.380 30 3 30 3 10.0 6338.739 16.14 10.82 0.027 0.000 0.4 0.000 0.054 0.00 3.2-.36-.17 3.5 1.6 .53 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 8 0 8 0 0.0 12407.250 21.95 10.93 0.000 0.000 0.0 0.000 0.000 0.00 2.9-2.6-.47 3.4 2.7 .74 -1.380 2 0 2 0 0.0 33261.650 44.03 10.96 0.000 0.000 0.0 0.000 0.000 0.00 1.6-1.3-.14 1.8 1.3 .14 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 0 1 0 0.0 3408.100 10.80 10.86 0.000 0.000 0.0 0.000 0.000 0.00-1.7-1.0 .38 1.7 1.0 .38 -1.020 4 0 4 1 25.0 11443.215 34.43 11.06 0.032 0.021 3.0 0.000 0.000 0.00 1.2-.95-.25 1.7 .95 .27 -0.900 7 1 7 1 14.3 5495.844 17.22 10.97 0.099 0.004 0.6 0.000 0.199 0.00 .97-.85-.05 1.9 .85 .25 -0.780 6 0 6 0 16.7 9325.857 24.64 10.95 0.000 0.000 0.0 0.000 0.000 0.00-.37-.73-.08 1.1 .73 .38 -0.660 5 0 5 0 0.0 10112.200 27.60 11.09 0.000 0.000 0.0 0.000 0.000 0.00 .47-.59-.15 .96 .59 .19 -0.540 8 0 8 0 0.0 2306.776 9.29 11.13 0.000 0.000 0.0 0.000 0.000 0.00 .57-.47-.11 1.0 .47 .31 -0.420 15 1 15 1 0.0 6033.123 18.41 11.23 0.048 0.009 1.5 0.000 0.095 0.00 .32-.35 .02 .95 .35 .28 -0.300 29 5 29 5 3.4 16982.870 37.47 11.46 0.108 -0.017 4.8 0.000 0.215 0.00 .18-.22-.01 .51 .22 .11 -0.180 138 40 130 49 0.7 47569.097 79.15 12.61 0.062 0.010 5.3 0.000 0.127 0.00 .04-.10-.01 .20 .10 .08 -0.060 345 43 334 62 0.9 54194.110 86.42 13.39 0.069 -0.003 9.2 0.000 0.146 0.00 .02-.01-.00 .20 .04 .09 0.060 141 18 141 20 0.0 31193.092 54.32 12.28 0.084 -0.001 8.5 0.000 0.174 0.00 .11 .11-.03 .50 .11 .15 0.180 32 6 32 6 3.1 18103.146 38.80 11.67 0.060 0.016 4.5 0.000 0.120 0.00 .05 .23-.03 .31 .23 .12 0.300 19 2 19 2 0.0 8998.014 23.05 11.31 0.059 -0.004 1.0 0.000 0.117 0.00 .18 .35-.14 .67 .36 .25 0.420 11 1 11 1 0.0 9271.425 25.34 11.09 0.044 0.018 2.5 0.000 0.087 0.00 .15 .48-.04 1.5 .48 .22 0.540 6 2 6 2 0.0 5452.211 15.30 10.83 0.089 -0.020 0.8 0.000 0.177 0.00 .57 .60-.16 .85 .60 .33 0.660 4 1 4 1 0.0 12044.978 33.74 11.27 0.122 -0.072 7.1 0.000 0.244 0.00 .14 .71-.16 .38 .71 .22 0.780 2 0 2 0 0.0 3223.600 9.83 10.73 0.000 0.000 0.0 0.000 0.000 0.00 3.3 .84 .59 3.3 .84 .97 0.900 1 1 1 1 0.0 955.262 4.53 10.93 0.079 0.079 0.4 0.000 0.159 0.00 2.0 1.0-.33 2.0 1.0 .33 1.020 3 0 3 0 0.0 8524.113 22.64 10.86 0.000 0.000 0.0 0.000 0.000 0.00 .42 1.1-.05 1.7 1.1 .25 1.140 1 0 1 0 0.0 4423.900 12.13 10.69 0.000 0.000 0.0 0.000 0.000 0.00 6.1 1.2-.42 6.1 1.2 .42 1.260 1 0 1 0 0.0 651.767 3.64 10.96 0.000 0.000 0.0 0.000 0.000 0.00-1.6 1.3 .31 1.6 1.3 .31 1.380 5 2 5 2 20.0 4910.736 13.69 10.79 0.024 -0.001 0.5 0.000 0.047 0.00 3.7 1.9-.09 5.0 2.0 .28 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 0 1 0 0.0 12768.700 16.98 10.71 0.000 0.000 0.0 0.000 0.000 0.00 6.7-3.4-1.9 6.7 3.4 1.9 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 0 1 0 0.0 4230.800 12.05 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .12 .07-1.0 .12 .07 1.0 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 4 0 4 0 25.0 4372.735 12.87 11.00 0.000 0.000 0.0 0.000 0.000 0.00-.11 .08-.73 .91 .52 .73 -0.660 1 0 1 0 0.0 5107.900 14.65 10.87 0.000 0.000 0.0 0.000 0.000 0.00 2.1-.51-.65 2.1 .51 .65 -0.540 4 0 4 0 0.0 4345.550 14.88 11.29 0.000 0.000 0.0 0.000 0.000 0.00 1.9-.13-.43 3.1 1.1 .43 -0.420 13 3 13 4 0.0 6238.571 18.42 11.39 0.051 0.005 1.5 0.000 0.486 0.00 1.7-.70-.34 2.4 1.7 .34 -0.300 44 3 44 3 2.3 17882.893 42.59 11.80 0.076 -0.004 2.5 0.000 0.152 0.00 .93 .00-.21 1.6 .74 .22 -0.180 175 22 171 29 1.1 33735.296 59.27 12.29 0.072 -0.002 5.3 0.000 0.161 0.00 .26 .01-.10 .52 .28 .10 -0.060 425 58 392 99 0.7 48527.377 77.54 12.84 0.060 -0.000 7.1 0.000 0.134 0.00 .03-.01-.00 .20 .11 .03 0.060 91 11 90 13 1.1 39485.774 80.55 12.92 0.123 0.004 14.8 0.000 0.220 0.00-.10-.05 .10 .49 .29 .10 0.180 22 4 22 4 9.1 23894.854 65.15 12.97 0.068 0.005 1.4 0.000 0.136 0.00-.08 .22 .24 1.7 .71 .24 0.300 5 0 5 0 0.0 6473.655 21.38 11.98 0.000 0.000 0.0 0.000 0.000 0.00-.45-.00 .35 1.4 .79 .35 0.420 4 2 4 2 0.0 1231.334 5.48 11.01 0.156 0.072 0.8 0.000 0.313 0.00-1.6-.28 .50 2.4 .61 .50 0.540 2 0 2 0 0.0 1992.074 7.52 11.22 0.000 0.000 0.0 0.000 0.000 0.00-.07 .07 .55 .13 .10 .55 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 1 0 1 0 0.0 2577.800 8.75 11.01 0.000 0.000 0.0 0.000 0.000 0.00 2.7-.31 .96 2.7 .31 .96 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 1 0 1 0 0.0 1389.700 6.18 10.76 0.000 0.000 0.0 0.000 0.000 0.00 3.4 .88 1.4 3.4 .88 1.4 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_12.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 640 0 640 0 1.4 34833.054 62.79 12.57 0.000 0.000 0.0 0.000 0.000 0.00 .17-.03-.03 .78 .41 .17 1.000 154 69 77 154 0.6 60543.661 99.67 12.70 0.068 0.000 6.9 0.000 0.135 0.00 .10 .03-.01 .77 .33 .11 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 794 69 717 154 1.3 39819.747 70.48 12.60 0.068 0.000 6.9 0.000 0.135 0.00 .16-.02-.03 .77 .39 .16 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_12.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 130 18 104 52 0.0 105466.39 166.70 15.15 0.071 0.000 14.4 0.000 0.143 0.00-.02-.01 .00 .10 .11 .10 1.891 114 11 103 22 0.9 60503.440 89.32 13.58 0.052 0.000 4.9 0.000 0.102 0.00-.03-.01-.02 .07 .13 .08 1.502 96 8 88 16 0.0 36104.992 58.25 12.78 0.070 0.000 4.3 0.000 0.137 0.00 .10 .00-.02 .14 .12 .07 1.312 93 6 87 12 0.0 27626.731 45.38 12.29 0.059 0.000 2.6 0.000 0.115 0.00 .13 .01-.04 .17 .24 .09 1.192 78 7 71 14 1.3 20196.262 36.12 12.02 0.034 0.000 1.3 0.000 0.067 0.00 .10-.00-.03 .20 .18 .09 1.107 73 5 68 10 2.7 14817.489 29.17 11.71 0.156 0.000 4.1 0.000 0.352 0.00 .03-.02-.01 .32 .31 .13 1.042 63 3 60 6 1.6 13962.253 28.81 11.35 0.127 0.000 2.5 0.000 0.276 0.00 .15-.13-.06 .50 .59 .16 0.990 54 4 50 8 0.0 12251.975 26.48 11.08 0.077 0.000 1.9 0.000 0.148 0.00 .09-.00-.04 .66 .57 .15 0.947 53 4 49 8 5.7 9122.152 22.94 10.93 0.078 0.000 1.7 0.000 0.164 0.00 .16-.00-.03 1.2 .59 .22 0.910 40 3 37 6 5.0 7295.082 18.57 10.79 0.037 0.000 0.9 0.000 0.075 0.00 1.9-.04-.07 3.0 1.1 .51 0.879 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 52 4 49 7 19.2 533.460 3.07 11.59 0.221 -0.016 0.6 0.000 0.546 0.00 .17 .04 .00 1.5 .61 .25 1021.965 24 2 23 3 0.0 1409.983 6.29 11.55 0.176 0.013 1.1 0.000 0.441 0.00 .34-.04 .05 1.1 .64 .33 2043.930 59 1 59 1 0.0 2977.559 10.33 11.95 0.330 -0.006 3.5 0.000 0.660 0.00 .31-.05 .02 1.2 .60 .23 4087.859 91 7 87 11 0.0 5909.452 16.89 12.08 0.210 -0.015 7.8 0.000 0.593 0.00 .31-.02-.08 1.0 .44 .22 8175.719 122 12 114 22 0.0 12095.946 26.57 11.95 0.092 -0.005 3.3 0.000 0.226 0.00 .22-.02-.05 .89 .54 .21 16351.438 178 22 164 38 0.0 23856.562 40.19 12.22 0.101 -0.000 5.1 0.000 0.238 0.00 .14-.02-.03 .56 .26 .09 32702.875 132 21 121 32 0.0 47664.578 64.50 12.81 0.073 -0.005 5.8 0.000 0.173 0.00 .06-.02-.01 .15 .23 .06 65405.750 83 10 78 17 0.0 88866.631 103.94 14.26 0.084 0.006 11.6 0.000 0.161 0.00 .01-.00-.02 .09 .07 .07 130811.500 45 8 36 20 0.0 195620.89 189.53 15.25 0.057 -0.001 14.7 0.000 0.109 0.00-.02-.02 .00 .07 .05 .07 261623.000 8 1 7 3 0.0 331136.88 289.71 15.53 0.030 0.005 8.1 0.000 0.042 0.00 .03-.03-.00 .05 .05 .06 523246.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 9 1 9 1100.0 60.616 0.32 11.20 0.778 -0.352 0.7 0.000 1.557 0.00 .00 .00-.05 2.7 1.0 .28 1.835 22 3 21 4 4.5 451.515 2.72 11.62 0.261 -0.026 0.8 0.000 0.701 0.00-.13 .02 .03 1.2 .39 .24 3.367 30 2 29 3 0.0 976.217 4.83 11.55 0.102 -0.006 0.5 0.000 0.225 0.00 .30 .03-.02 1.0 .67 .21 6.178 58 3 58 3 0.0 2538.473 9.04 11.52 0.263 -0.003 2.0 0.000 0.525 0.00 .28-.10 .05 1.3 .72 .30 11.337 106 7 102 11 0.0 5822.549 16.09 12.00 0.122 -0.005 2.2 0.000 0.304 0.00 .40-.05-.10 1.2 .59 .28 20.803 199 16 189 26 0.0 15844.116 30.35 11.94 0.104 -0.004 3.2 0.000 0.219 0.00 .17 .01-.03 .71 .30 .10 38.171 183 26 165 46 0.0 34496.953 51.56 12.56 0.080 0.002 5.7 0.000 0.161 0.00 .08-.01-.01 .17 .24 .07 70.043 111 15 100 28 0.0 69582.394 89.56 13.77 0.053 0.000 4.9 0.000 0.099 0.00 .01-.01-.03 .10 .12 .07 128.524 59 10 49 23 0.0 153216.77 166.53 15.17 0.076 0.000 16.8 0.000 0.121 0.00-.02-.01 .00 .07 .06 .07 235.835 17 3 13 9 0.0 269607.94 292.68 15.51 0.050 -0.000 18.0 0.000 0.099 0.00-.02-.03 .02 .10 .05 .06 432.745 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 29 14 15 29 0.0 105231.69 145.03 13.12 0.013 0.000 1.7 0.000 0.026 0.00 .18 .07-.02 .93 .38 .09 0.030 40 19 22 40 0.0 56320.242 84.89 12.37 0.043 0.001 3.2 0.000 0.082 0.00 .01-.03-.03 .18 .21 .08 0.060 33 17 21 33 0.0 52933.508 82.62 12.51 0.074 0.015 5.1 0.000 0.139 0.00 .06 .00-.01 .46 .20 .09 0.090 15 10 13 15 0.0 48674.761 89.83 12.92 0.100 0.001 7.1 0.000 0.209 0.00-.00-.04 .04 .37 .28 .15 0.120 8 7 8 8 0.0 85422.625 156.76 13.07 0.135 0.046 18.0 0.000 0.270 0.00 .08 .15-.07 .31 .31 .16 0.150 5 5 5 5 0.0 53349.020 93.06 13.32 0.167 -0.048 14.0 0.000 0.334 0.00 .09 .05-.01 .16 .13 .05 0.180 6 6 6 6 0.0 43554.467 86.69 12.28 0.194 -0.060 18.3 0.000 0.388 0.00-.02-.05 .04 .14 .10 .07 0.210 4 4 4 4 0.0 16888.150 39.72 12.10 0.219 -0.164 9.0 0.000 0.438 0.00-.11-.03 .01 .14 .19 .06 0.240 2 2 2 2 0.0 61986.500 116.79 14.62 0.248 0.201 22.9 0.000 0.495 0.00-.02 .03 .01 .06 .11 .06 0.270 0 0 0 0 0.0 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 4 4 4 4 0.0 5819.667 20.50 12.54 0.326 -0.271 5.1 0.000 0.652 0.00 .27-.02 .14 .47 .08 .26 0.330 2 2 2 2 0.0 15196.100 31.49 11.56 0.349 -0.349 11.1 0.000 0.697 0.00-.14-.01 .01 .15 .05 .01 0.360 1 1 1 1 0.0 18597.100 55.04 16.38 0.374 0.374 20.6 0.000 0.749 0.00 .08-.02 .05 .08 .02 .05 0.390 1 1 1 1 0.0 4660.200 19.83 15.74 0.396 -0.396 7.8 0.000 0.791 0.00 .18 .01-.17 .18 .01 .17 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.450 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.480 1 1 1 1 0.0 56874.398 142.40 12.38 0.489 -0.489 69.7 0.000 0.978 0.00-.06 .05-.03 .06 .05 .03 0.510 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.570 3 3 3 3 33.3 1828.987 8.89 11.29 1.386 -1.386 22.8 0.000 2.772 0.00 2.3 .92-.04 4.2 1.6 .22 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 4 4 4 4 25.0 15590.340 61.34 11.56 0.568 -0.568 34.5 0.000 1.136 0.00 1.7 .70-.04 3.7 1.3 .19 -0.460 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.420 1 1 1 1 0.0 4660.200 19.83 15.74 0.396 -0.396 7.8 0.000 0.791 0.00 .18 .01-.17 .18 .01 .17 -0.380 2 2 2 2 0.0 15196.100 31.49 11.56 0.349 -0.349 11.1 0.000 0.697 0.00-.14-.01 .01 .15 .05 .01 -0.340 2 2 2 2 0.0 10589.250 29.70 14.09 0.328 -0.328 8.6 0.000 0.655 0.00 .03-.07 .03 .08 .07 .04 -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 -0.260 2 2 2 2 0.0 10150.700 27.18 12.07 0.242 -0.242 7.3 0.000 0.483 0.00-.11 .05-.02 .11 .11 .03 -0.220 4 4 4 4 0.0 56260.350 109.38 12.50 0.196 -0.196 24.9 0.000 0.391 0.00-.12-.08 .05 .17 .14 .06 -0.180 2 2 2 2 0.0 132308.00 229.90 12.45 0.164 -0.164 36.7 0.000 0.328 0.00-.04 .09 .01 .05 .12 .02 -0.140 7 6 7 7 0.0 26661.685 62.60 12.17 0.124 -0.124 7.3 0.000 0.233 0.00 .11 .13-.07 .34 .33 .15 -0.100 20 16 20 20 0.0 48631.076 84.59 12.07 0.082 -0.082 5.7 0.000 0.156 0.00 .01 .01-.01 .34 .17 .09 -0.060 22 20 22 22 0.0 74485.541 106.06 12.71 0.037 -0.037 3.5 0.000 0.067 0.00 .01-.02-.01 .14 .13 .05 -0.020 22 10 11 22 0.0 84091.494 126.63 12.78 0.008 0.000 1.0 0.000 0.010 0.00 .24 .11-.04 1.1 .44 .10 0.020 25 22 25 25 0.0 72633.356 103.63 12.58 0.035 0.035 3.2 0.000 0.064 0.00-.00-.04-.04 .19 .24 .09 0.060 22 19 22 22 0.0 54255.385 83.49 12.71 0.073 0.073 4.9 0.000 0.143 0.00 .08-.02 .02 .55 .29 .14 0.100 6 5 6 6 0.0 117878.40 160.56 15.56 0.125 0.125 18.5 0.000 0.256 0.00-.01-.06-.02 .04 .06 .09 0.140 4 4 4 4 0.0 25573.775 47.24 13.34 0.155 0.155 7.2 0.000 0.309 0.00 .12 .05-.02 .18 .15 .06 0.180 4 4 4 4 0.0 21660.650 43.50 12.18 0.202 0.202 8.3 0.000 0.405 0.00 .05-.07 .04 .11 .11 .06 0.220 2 2 2 2 0.0 60433.500 123.28 14.24 0.245 0.245 22.4 0.000 0.491 0.00-.04 .09-.01 .10 .19 .08 0.260 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 0.300 2 2 2 2 0.0 1050.084 4.97 10.98 0.306 0.306 1.5 0.000 0.612 0.00 .52 .04 .26 .66 .08 .36 0.340 1 1 1 1 0.0 18597.100 55.04 16.38 0.374 0.374 20.6 0.000 0.749 0.00 .08-.02 .05 .08 .02 .05 0.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.420 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.460 0 0 0 0 0.0 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 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 24 14 14 24 4.2 43230.798 79.45 12.17 0.006 -0.001 0.4 0.000 0.012 0.00 .62 .26-.02 1.9 .75 .18 1.000 22 14 14 22 0.0 31729.089 58.27 11.44 0.025 0.003 1.5 0.000 0.039 0.00 .02 .03 .02 .45 .19 .12 2.000 30 16 18 30 0.0 36512.218 58.02 12.44 0.043 0.006 2.5 0.000 0.084 0.00 .02-.05-.05 .15 .22 .10 3.000 11 8 8 11 0.0 41296.982 77.57 12.37 0.044 -0.009 3.4 0.000 0.076 0.00 .07-.08 .02 .12 .12 .10 4.000 7 5 6 7 0.0 52706.571 87.06 13.21 0.054 0.012 4.6 0.000 0.098 0.00 .02-.01-.01 .12 .11 .04 5.000 13 9 11 13 0.0 92366.123 133.72 13.35 0.041 0.009 5.5 0.000 0.112 0.00 .01-.05-.00 .09 .08 .08 6.000 9 8 9 9 0.0 92830.867 118.64 13.30 0.053 0.001 6.3 0.000 0.132 0.00 .00-.05-.01 .10 .11 .04 7.000 6 6 6 6 0.0 55629.717 98.25 13.37 0.076 -0.035 7.4 0.000 0.152 0.00 .00 .08-.05 .15 .32 .11 8.000 3 3 3 3 0.0 38587.867 69.51 11.56 0.127 -0.011 8.8 0.000 0.254 0.00-.01 .02 .02 .02 .04 .04 9.000 2 2 2 2 0.0 49031.199 156.42 11.85 0.062 0.062 9.5 0.000 0.124 0.00-.15 .23-.03 .15 .23 .06 10.000 2 2 2 2 0.0 15537.500 34.19 12.10 0.309 -0.309 10.5 0.000 0.618 0.00-.14 .09-.02 .16 .10 .03 11.000 3 3 3 3 0.0 90820.866 123.22 14.24 0.095 0.067 11.7 0.000 0.190 0.00-.02-.07 .01 .04 .07 .04 12.000 2 1 2 2 0.0 70135.850 118.79 13.88 0.106 0.106 12.6 0.000 0.396 0.00-.04-.01 .03 .04 .04 .03 13.000 3 2 3 3 0.0 163268.63 190.47 14.41 0.071 -0.014 13.6 0.000 0.206 0.00-.01-.03-.01 .03 .05 .04 14.000 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 15.000 4 1 4 4 0.0 153439.63 199.96 13.18 0.078 -0.019 15.6 0.000 0.435 0.00 .04-.00-.01 .05 .09 .06 16.000 2 1 2 2 0.0 110790.45 147.65 16.51 0.111 0.111 16.4 0.000 0.226 0.00-.01-.04-.05 .04 .05 .05 17.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 18.000 1 0 1 1 0.0 195347.00 199.54 12.28 0.092 -0.092 18.3 0.000 0.000 0.00 .00-.02-.08 .00 .02 .08 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 1 1 1 1 0.0 18597.100 55.04 16.38 0.374 0.374 20.6 0.000 0.749 0.00 .08-.02 .05 .08 .02 .05 21.000 1 0 1 1 0.0 72370.297 160.11 13.51 0.136 -0.136 21.9 0.000 0.000 0.00 .08-.01-.04 .08 .01 .04 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 8 5 5 8 0.0 128806.84 223.41 14.12 0.188 -0.021 47.9 0.000 0.329 0.00-.08 .03 .03 .14 .10 .07 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 794 69 717 154 1.3 39819.747 70.48 12.60 0.068 0.000 6.9 0.000 0.135 0.00 .16-.02-.03 .77 .39 .16 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 54 0 54 0 1.9 45639.301 104.12 12.78 0.000 0.000 0.0 0.000 0.000 0.00-.12 .00 .00 .65 .26 .14 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_12.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.891 104 164 63.41 1.25 0.071 18 10.98 0.071 166.70 0.0 to 1.502 207 325 63.69 1.18 0.068 29 8.92 0.052 89.32 0.9 to 1.312 295 481 61.33 1.15 0.068 37 7.69 0.070 58.25 0.0 to 1.192 382 636 60.06 1.13 0.068 43 6.76 0.059 45.38 0.0 to 1.107 453 789 57.41 1.13 0.066 50 6.34 0.034 36.12 1.3 to 1.042 521 940 55.43 1.12 0.068 55 5.85 0.156 29.17 2.7 to 0.990 581 1099 52.87 1.11 0.068 58 5.28 0.127 28.81 1.6 to 0.947 631 1252 50.40 1.11 0.068 62 4.95 0.077 26.48 0.0 to 0.910 680 1394 48.78 1.11 0.068 66 4.73 0.078 22.94 5.7 to 0.879 717 1554 46.14 1.11 0.068 69 4.44 0.037 18.57 5.0