SAINT V8.40A saint z7A9pa.slm /BATCH /CONFIG:z7A9pa.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 /THREADS:1 !==================================================== !10/26/2021 10:24:53 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 14 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_13_0001.sfrm) Electrons per A/D unit: 36.60 (from frame neal054_13_0001.sfrm) Electrons per x-ray photon: 213.90 (from frame neal054_13_0001.sfrm) Base offset per exposure: 64 (from frame neal054_13_0001.sfrm) Per-exposure full scale: 163809 (from frame neal054_13_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 10:24:53 Initial background range (deg) = 10.00, interleave = 2 Number of BG pixels >= 64K: 0 Initial BG frame written to neal054_ib_13_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 10:24:54 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_13_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 10:24:54 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_13_0001.sfrm Active pixel mask written to neal054_am_13_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 57.368 102.000 315.500 Vertical tilt of beam (degrees): 0.2200 Exposures per frame: 1 Output sigma(I)'s will be scaled by: 1.0000 Fraction of I to be combined with sigma(I)'s: 0.0000 Maximum number of frames to be processed: 82 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 10:24:55 Input X,Y,Z spot size (deg): 0.780 0.780 2.270 Scale for orientation update length: 1.00000 #Frames running average for orientation update: 14 Frames between full refinements of orientation: 50 Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 1.000 Accurate-timing indicator is set in the frame headers: Velocity normalization will be computed for each frame Pixel spacing (deg): 0.129 Profile X,Y,Z spacing (deg): 0.109 0.090 0.328 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 91.49% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0_0001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 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 18 0.78 0.78 2.27 1.000 2_0003 3 0.63 -0.26 -0.18 0.68 0.27 0.26 992.40 6 0 0.14 23 0.78 0.78 2.27 1.000 3_0004 9 0.16 -0.62 -0.02 0.53 0.79 0.24 55600 65 0 0.35 29 0.78 0.78 2.27 1.000 4_0005 9 0.15 -0.54 -0.06 0.40 0.64 0.30 82768 65 0 0.70 26 0.78 0.78 2.27 1.000 5_0006 8 0.18 -0.44 0.24 0.50 0.47 0.37 31229 49 0 0.67 24 0.78 0.78 2.27 1.000 6_0007 13 0.11 -0.58 0.08 0.71 0.63 0.31 64859 65 15 0.61 30 0.78 0.78 2.27 1.000 7_0008 8 0.11 -0.37 0.08 0.33 0.43 0.16 36501 43 13 0.55 28 0.78 0.78 2.27 1.000 8_0009 7 0.25 -0.51 0.13 0.50 0.61 0.24 126588 123 14 0.63 32 0.78 0.78 2.27 1.000 9_0010 9 0.14 -0.50 0.08 0.23 0.57 0.20 20029 32 0 0.61 26 0.78 0.78 2.27 1.000 10_0011 9 0.22 -0.42 0.00 0.38 0.46 0.25 38301 50 0 0.74 26 0.78 0.78 2.27 1.000 11_0012 6 0.04 -0.54 -0.05 0.21 0.78 0.16 73457 75 0 0.69 28 0.78 0.78 2.27 1.000 12_0013 7 0.20 -0.35 0.11 0.84 0.60 0.30 99224 92 0 0.71 37 0.78 0.78 2.27 1.000 13_0014 11 -0.02 -0.39 0.10 0.26 0.42 0.19 21984 42 0 0.67 27 0.78 0.78 2.27 1.000 14_0015 8 -0.11 -0.27 0.09 0.32 0.29 0.15 63419 69 0 0.59 28 0.78 0.78 2.27 1.000 15_0016 12 0.12 -0.45 0.03 0.42 0.50 0.35 31523 43 0 0.65 26 0.78 0.78 2.27 1.000 16_0017 8 0.11 -0.45 0.14 0.29 0.48 0.23 52829 58 0 0.70 36 0.78 0.78 2.27 1.000 17_0018 10 0.36 -0.43 0.01 0.66 0.58 0.26 21783 33 10 0.67 27 0.78 0.78 2.27 1.000 18_0019 4 0.17 -0.26 0.10 0.40 0.28 0.17 20058 39 0 0.71 25 0.78 0.78 2.27 1.000 19_0020 5 -0.01 -0.37 0.03 0.30 0.43 0.13 89913 85 0 0.69 27 0.78 0.78 2.27 1.000 Background pixels updated = 92.89% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 10 0.46 -0.32 -0.02 1.12 0.48 0.31 22240 46 0 0.73 29 0.78 0.78 2.27 1.000 21_0022 11 0.13 -0.34 0.06 0.45 0.40 0.19 65561 53 0 0.62 27 0.78 0.78 2.27 1.000 22_0023 11 -0.00 -0.29 -0.06 0.29 0.32 0.38 40550 54 0 0.72 25 0.78 0.78 2.27 1.000 23_0024 9 0.24 -0.29 0.01 0.64 0.45 0.13 45962 46 0 0.69 25 0.78 0.78 2.27 1.000 24_0025 7 -0.12 -0.42 0.03 0.24 0.55 0.19 72294 63 0 0.77 29 0.78 0.78 2.27 1.000 25_0026 6 0.23 -0.36 0.05 0.28 0.37 0.12 12103 19 0 0.69 28 0.78 0.78 2.27 1.000 26_0027 8 0.06 -0.27 0.09 0.37 0.31 0.16 72443 58 0 0.69 28 0.78 0.78 2.27 1.000 27_0028 10 0.25 -0.36 -0.05 0.65 0.43 0.34 8361.5 21 0 0.73 28 0.78 0.78 2.27 1.000 28_0029 12 0.16 -0.43 0.03 0.33 0.54 0.27 49159 56 0 0.76 28 0.78 0.78 2.27 1.000 29_0030 11 -0.16 -0.33 0.06 0.38 0.40 0.27 104405 81 0 0.64 31 0.78 0.78 2.27 1.000 30_0031 10 0.09 -0.24 0.04 0.40 0.47 0.18 35449 50 10 0.66 28 0.78 0.78 2.27 1.000 I/Sigma = 62.64 Thresh = 0.020 Blend = F #Contributing = 50 InitialProfileWt = 0.046 Region 1 Sum = 15699.4; Maximum = 226.656; FM = 0.517 !Region 1: Section 1->3 0 2 2 1 1 0 0 0 0 4 9 8 5 3 1 1 0 0 14 26 27 20 12 5 2 1 0 1 1 1 1 0 0 0 0 0 5 10 8 5 3 1 1 1 0 20 43 46 37 24 11 4 2 0 1 2 2 1 1 0 0 0 0 6 12 10 6 3 1 1 1 0 27 54 54 40 24 11 5 2 0 1 1 1 1 0 0 0 0 0 4 8 6 4 2 1 1 1 0 18 33 34 26 16 8 4 2 0 0 1 0 0 0 0 0 0 0 2 5 4 2 1 1 1 1 0 19 38 41 34 21 10 3 1 0 0 1 0 0 0 0 0 0 0 2 4 3 2 1 1 1 1 0 12 20 20 14 8 4 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 1 0 7 14 15 12 8 4 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 5 9 9 6 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 0 0 0 !Region 1: Section 4->6 20 35 40 35 25 15 8 4 0 10 18 21 25 25 20 12 6 1 1 3 4 10 13 13 8 4 1 32 72 93 93 71 43 19 7 1 17 44 69 87 80 60 32 13 3 3 10 20 34 40 39 26 13 4 41 88100 90 68 40 19 7 1 20 47 63 74 72 55 31 13 3 2 8 16 27 35 37 26 14 4 28 56 67 65 50 34 17 6 1 15 34 50 65 64 55 32 13 3 2 8 17 29 38 41 29 16 5 34 70 86 81 58 31 12 5 1 16 36 52 61 54 38 20 9 3 2 5 11 19 25 28 23 14 6 19 34 38 32 22 14 7 3 1 9 17 24 28 27 23 14 7 2 1 3 6 12 17 20 18 12 5 13 26 31 30 22 13 6 3 1 6 14 21 26 24 18 11 6 2 1 3 6 10 14 16 16 12 5 8 16 17 15 11 7 4 2 1 3 8 10 11 11 10 7 4 2 0 1 2 4 6 8 10 8 4 2 3 4 5 4 3 2 1 0 1 2 3 5 5 5 3 2 1 0 1 1 2 3 5 5 5 2 !Region 1: Section 7->9 0 1 1 2 5 5 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 5 10 14 13 9 3 0 0 1 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 1 1 2 5 10 15 14 10 4 0 1 1 1 2 3 4 4 2 0 0 0 0 0 0 0 0 0 0 1 2 6 11 16 16 13 6 0 1 1 1 2 4 5 5 2 0 0 0 0 0 0 0 0 0 0 1 2 3 8 16 18 15 7 0 0 0 1 2 5 6 6 3 0 0 0 0 0 0 0 1 0 0 1 1 3 6 11 14 12 5 0 0 0 1 2 4 5 5 2 0 0 0 0 0 0 1 1 0 0 1 1 2 6 11 15 15 7 0 1 0 1 2 4 6 7 3 0 0 0 0 0 0 1 1 0 0 0 1 2 3 6 9 10 5 0 0 0 1 1 2 3 4 3 0 0 0 0 0 0 0 1 1 0 0 0 1 2 4 6 7 3 0 0 0 0 1 2 3 3 2 0 0 0 0 0 0 0 0 0 I/Sigma = 269.16 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.031 Region 2 Sum = 355269; Maximum = 5571.15; FM = 0.869 !Region 2: Section 1->3 0 0 1 1 0 0 0 0 0 0 2 5 4 3 2 1 0 0 0 3 8 9 7 5 2 1 0 0 1 2 2 1 1 0 0 0 1 6 12 16 14 8 4 1 0 3 11 24 39 37 24 11 3 1 0 0 1 2 1 1 0 0 0 2 6 12 21 20 12 4 1 0 5 14 30 54 57 35 14 3 1 0 0 1 1 1 1 0 0 0 2 6 11 20 22 17 6 1 0 5 16 33 57 66 50 20 4 1 0 0 0 0 1 0 0 0 0 1 4 8 15 19 17 9 2 0 3 13 29 49 61 54 28 6 1 0 0 0 0 0 0 0 0 0 0 2 5 9 11 9 5 1 0 1 6 18 33 43 34 17 5 1 0 0 0 0 0 0 0 0 0 0 1 2 5 6 5 2 1 0 0 2 7 19 25 17 7 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 1 2 7 11 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 !Region 2: Section 4->6 1 3 7 11 10 8 4 2 0 0 2 4 8 8 7 5 2 0 0 1 1 4 5 5 2 1 0 2 11 26 45 45 31 15 5 1 1 7 16 30 31 22 12 5 1 0 2 5 11 15 11 6 2 0 4 19 42 72 76 51 24 7 1 3 14 32 55 58 40 21 7 1 1 5 11 24 28 19 10 4 1 6 27 57 90100 75 34 8 1 4 25 51 76 83 61 30 8 1 2 9 20 34 41 30 15 5 1 4 26 57 86100 84 46 11 1 4 26 55 77 85 69 40 12 2 2 11 25 37 42 32 19 7 1 1 12 38 68 83 63 32 10 2 1 13 40 68 78 58 32 11 2 1 7 21 35 40 30 18 8 1 0 3 16 41 53 34 14 5 1 0 3 17 43 52 34 16 7 2 0 2 10 23 28 21 13 7 1 0 1 4 15 23 14 5 2 1 0 1 4 15 23 15 7 4 1 0 1 3 9 14 11 7 4 1 0 0 1 2 4 3 1 0 0 0 0 1 2 4 3 2 1 0 0 0 1 1 3 4 3 2 0 !Region 2: Section 7->9 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 4 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 11 7 3 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 5 12 16 12 6 2 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 3 7 13 16 12 7 3 1 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 7 13 16 13 8 4 1 0 0 1 2 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 9 12 11 7 4 1 0 0 1 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 4 7 7 5 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 3 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 127.17 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.061 Region 3 Sum = 83873.8; Maximum = 1502.07; FM = 0.728 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 0 0 1 2 3 4 5 5 5 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 4 2 0 1 2 4 7 9 12 14 9 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 2 0 1 2 3 5 7 13 14 6 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 2 1 0 0 1 3 4 7 11 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 2 3 6 8 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 1 2 4 9 12 15 12 6 0 0 1 4 11 16 25 18 5 0 0 1 1 6 9 15 10 3 0 1 4 10 20 31 35 30 13 0 1 4 12 32 55 59 43 14 0 1 2 6 19 35 38 27 8 0 1 4 11 24 36 42 33 12 0 1 5 18 48 76 79 54 16 0 1 3 12 35 57 57 37 11 0 1 5 14 28 42 44 30 10 0 2 8 31 69 97 91 56 16 0 2 8 27 58 77 68 39 10 0 1 5 15 29 40 40 24 8 1 3 13 42 78100 88 46 12 1 5 16 42 70 81 66 32 7 0 2 5 14 26 35 29 14 4 2 6 19 46 74 86 64 27 6 3 11 24 45 65 69 48 19 4 0 2 5 13 21 23 15 6 2 2 7 17 39 58 57 34 12 3 5 11 20 37 50 46 27 10 2 0 2 4 8 12 11 6 2 1 2 6 12 24 33 27 13 5 1 3 8 14 24 30 24 13 5 1 0 1 1 2 4 2 1 1 0 0 2 4 7 10 6 3 2 0 0 3 5 7 10 7 4 2 1 !Region 3: Section 7->9 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 6 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 8 12 11 6 2 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 16 18 13 7 2 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 4 9 16 21 19 13 6 1 0 1 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 3 7 13 17 19 17 10 4 1 0 1 3 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 3 7 11 15 15 13 8 3 1 1 2 3 4 3 2 2 1 0 0 0 0 0 0 0 0 0 0 2 6 9 12 12 9 6 3 1 1 2 4 4 3 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 3 4 4 4 3 1 0 0 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 30.02 Thresh = 0.020 Blend = F #Contributing = 9 InitialProfileWt = 0.301 Region 4 Sum = 5214.87; Maximum = 126.714; FM = 0.455 !Region 4: Section 1->3 0 0 0 0 1 0 0 0 0 0 1 1 1 2 1 0 0 0 1 5 6 7 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 0 0 0 1 4 7 10 7 4 2 1 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 4 5 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 2 2 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 1 1 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 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 4: Section 4->6 2 6 9 9 7 4 3 1 0 2 4 9 18 23 26 12 6 1 1 2 8 26 35 44 18 10 1 2 7 11 15 12 8 4 2 1 1 6 15 31 49 58 34 14 2 1 5 17 42 80 95 58 23 3 1 3 6 9 8 6 3 2 1 1 4 11 24 47 59 40 19 4 0 4 13 35 77100 69 32 6 1 2 2 4 5 5 3 2 1 1 3 7 18 38 54 41 21 4 1 3 9 28 63 91 72 36 7 1 1 1 3 3 4 2 1 0 0 1 4 13 27 46 40 20 4 1 1 6 21 45 76 70 35 8 1 1 1 2 2 2 2 1 0 0 0 2 8 19 36 31 17 4 0 1 3 13 32 60 54 31 8 1 0 0 1 1 1 1 1 0 0 0 1 4 12 22 21 12 3 0 0 2 8 21 38 36 21 6 0 0 0 1 1 1 1 1 0 0 0 2 3 8 15 13 9 2 1 1 2 5 14 26 23 16 4 0 0 1 1 0 1 0 0 0 0 1 1 2 3 4 5 3 1 1 1 1 3 5 7 10 6 2 !Region 4: Section 7->9 0 1 3 11 14 18 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 17 34 39 24 9 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 5 15 33 41 29 14 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 4 11 26 37 30 15 3 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 3 8 18 31 29 16 4 0 1 1 0 0 1 1 1 1 0 0 1 0 0 1 0 1 1 0 0 1 5 13 25 23 14 4 0 0 0 0 1 1 1 2 1 0 0 0 0 0 1 1 1 0 0 0 1 3 9 16 16 10 3 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 6 11 10 7 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 27.22 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.875 Region 5 Sum = 395.808; Maximum = 8.08337; FM = 0.427 !Region 5: Section 1->3 0 -1 1 -1 -1 0 -1 0 1 0 1 3 0 0 1 -1 1 2 1 2 4 1 -1 0 0 2 1 1 2 2 0 -2 -1 -2 0 0 1 5 5 3 1 1 0 1 0 2 6 8 4 3 -1 0 0 -1 0 1 0 0 -3 -2 -3 0 0 0 1 1 0 -1 -1 -5 -2 -1 1 1 0 1 0 -1 -5 -1 -1 0 -2 -2 -1 0 0 -1 1 -2 -1 -3 -2 -1 2 3 -2 -1 -3 -1 -2 1 0 1 3 -2 -3 -2 -1 -1 -2 -1 -4 0 0 1 1 -1 -1 -3 -3 -4 2 0 0 0 -2 -2 -4 -3 -1 1 -1 0 0 0 -1 -3 0 1 -2 0 1 0 -1 0 -3 -2 4 -1 -1 0 -1 -1 2 -2 -3 1 0 -1 0 -1 0 1 -1 -1 -1 -2 -2 -1 -1 -1 2 -2 -1 1 -2 -2 -2 -2 -1 1 -1 -2 -1 -2 -1 0 -1 0 -1 -2 0 -3 0 -2 -2 0 -1 0 0 0 -5 0 -3 -3 0 0 2 2 -1 -4 0 -2 -3 0 0 -1 -1 0 -1 1 0 -1 0 -1 0 0 1 0 1 0 -1 0 0 2 1 0 0 1 1 0 0 !Region 5: Section 4->6 2 17 37 18 27 10 11 2 1 4 32 70 40 62 29 27 6 3 3 15 32 23 34 21 17 6 2 13 33 50 46 40 20 17 6 1 24 61 98100 96 68 51 18 4 11 29 51 59 67 60 40 15 3 9 18 32 40 31 21 12 6 2 16 38 73 92 87 68 47 22 8 6 18 41 56 69 62 43 22 8 2 11 31 31 19 19 13 7 2 4 21 63 67 53 47 39 31 11 0 7 31 38 40 37 32 34 14 0 5 15 17 11 13 9 6 1 2 14 37 40 33 40 31 20 4 0 5 17 23 29 33 29 22 5 0 6 11 10 9 8 7 6 0 0 9 24 28 27 30 29 20 1 -2 3 11 18 21 30 34 22 1 0 3 4 5 6 4 3 4 2 1 4 9 16 19 19 13 14 5 -1 0 4 11 12 21 15 15 5 1 2 4 3 5 4 4 2 1 0 1 5 10 16 12 13 14 7 0 -1 1 7 12 12 10 16 8 1 2 2 2 2 2 2 0 0 1 2 2 5 4 5 5 -1 1 1 0 0 2 3 4 5 -1 1 !Region 5: Section 7->9 1 1 2 3 4 4 3 0 0 1 0 0 -1 1 -1 1 -3 0 0 0 0 0 0 0 1 -1 0 1 2 5 10 14 17 10 4 0 1 -1 -1 1 -1 0 1 -1 -1 1 -1 -1 1 0 0 0 -1 0 1 2 5 11 16 20 12 8 1 2 0 -1 3 -2 4 1 1 -1 0 -1 -1 1 -2 0 0 0 0 -2 -2 2 6 8 11 11 18 7 -2 -4 -2 1 -3 3 6 10 4 -1 -2 -1 0 -2 1 3 3 2 -1 0 1 4 8 8 10 12 6 -1 0 0 0 -2 -2 4 6 6 -1 0 0 0 -2 -1 2 1 2 -2 -1 2 1 5 8 11 11 6 -1 -1 2 -4 -1 -1 -2 3 7 -1 0 1 -2 0 -1 -2 0 2 -2 -2 1 2 2 8 6 9 6 -2 0 1 0 1 1 0 7 6 -1 0 0 0 1 0 -1 3 2 -1 -1 -2 2 5 6 4 10 4 -1 -1 -2 1 2 3 2 7 2 0 0 -1 0 1 1 0 2 0 0 1 0 1 2 1 2 1 1 -1 0 -1 1 2 0 0 2 1 0 1 0 1 1 0 0 1 0 I/Sigma = 11.99 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 6 Sum = 814.11; Maximum = 18.4781; FM = 0.364 !Region 6: Section 1->3 0 0 0 0 1 0 -1 -1 -1 6 8 3 2 1 -1 0 0 1 13 22 10 5 2 -1 0 1 2 0 -1 0 0 2 -1 -1 -1 -1 8 10 2 2 0 -2 1 3 1 19 28 8 4 -1 -1 3 4 1 0 -1 -1 0 -1 -2 -1 0 -1 4 8 4 2 2 1 -1 0 0 11 22 10 4 4 5 0 -1 0 0 -1 -2 0 -2 -2 -2 -1 -1 2 4 1 0 2 1 0 -1 0 5 12 5 1 5 4 2 0 1 0 -2 -1 0 0 -1 -1 0 0 1 2 -1 0 1 1 -1 -1 0 3 6 0 1 3 2 0 -2 -1 -1 -2 -1 1 0 0 0 0 0 0 0 -1 0 -1 1 -2 -1 -1 2 3 1 0 -2 2 -3 -3 -2 0 1 0 1 0 -1 0 1 1 0 0 -1 0 -2 0 0 -1 0 0 0 0 0 -3 0 -1 -3 0 -1 -1 -1 1 0 -1 -2 0 1 -1 -2 -1 0 1 4 0 -1 0 -1 -2 0 1 3 9 3 -1 0 0 0 0 0 0 0 -1 -1 0 -1 -1 0 0 -1 1 -1 -1 0 -1 -1 0 0 -2 2 0 -1 1 !Region 6: Section 4->6 9 18 14 8 5 6 4 2 1 4 13 29 26 22 31 23 11 2 3 11 29 30 28 38 28 14 3 13 25 19 17 12 11 7 5 0 9 25 59 73 67 70 42 23 4 8 23 62 85 86100 60 32 8 8 19 16 14 14 12 5 1 0 4 20 49 61 63 57 34 19 5 4 20 55 72 80 83 50 29 10 4 11 11 10 8 8 5 2 1 0 11 31 45 40 41 31 18 6 1 10 34 53 56 63 45 28 12 2 4 4 5 4 4 3 1 1 2 6 15 24 22 22 18 11 3 3 8 15 29 34 36 26 17 8 1 2 3 2 2 3 0 0 -1 2 3 6 11 17 15 12 12 4 2 4 8 16 24 23 18 17 9 1 1 1 1 1 2 1 -1 1 2 3 2 6 13 13 13 8 6 1 2 4 9 17 18 19 14 9 0 0 0 2 3 6 3 1 1 1 3 2 4 10 10 9 7 4 1 3 3 6 15 14 14 11 5 0 0 0 0 0 1 1 0 1 2 1 1 1 0 1 3 5 2 2 0 2 2 1 2 5 7 3 !Region 6: Section 7->9 0 2 7 8 8 10 8 4 1 0 1 -1 -1 -1 -5 -2 0 0 0 1 -2 -1 -1 -4 -1 0 0 2 5 15 24 28 35 22 12 4 -2 1 -2 -1 -1 -3 0 3 0 -1 2 -2 0 -1 -2 0 2 0 1 4 15 22 25 30 19 13 6 -1 -1 -3 1 -1 -2 0 5 2 -1 0 -3 1 0 -1 0 3 1 0 3 9 15 20 24 17 11 6 0 0 -1 -3 1 -3 -1 -1 1 0 0 -1 -2 1 -2 -1 -1 0 1 4 2 9 13 14 8 6 4 0 3 -3 0 1 -4 -5 -3 -1 0 2 -2 0 0 -3 -3 -3 -1 1 1 1 6 9 10 6 5 4 0 -1 -7 -1 1 2 -2 -5 -1 0 -1 -6 -1 0 1 -2 -4 -1 0 -1 1 3 5 7 7 5 3 1 -2 -2 -3 -4 0 -1 -2 0 0 -2 -2 -2 -4 0 -2 -2 0 -1 -1 1 4 6 5 5 5 2 -2 -4 0 5 2 2 0 1 2 -2 -4 0 5 2 1 0 1 1 0 -1 1 2 2 1 2 3 1 -3 -2 0 2 3 1 0 0 -1 -2 -2 0 2 3 0 0 0 0 I/Sigma = 25.13 Thresh = 0.020 Blend = F #Contributing = 7 InitialProfileWt = 0.449 Region 7 Sum = 2875.63; Maximum = 56.1666; FM = 0.299 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 2 3 1 -1 -1 0 1 1 0 7 12 6 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 4 6 0 0 0 1 1 1 1 14 26 12 6 3 2 2 1 0 0 0 0 0 0 2 0 0 1 1 4 3 2 1 3 0 0 1 9 18 11 7 4 4 1 0 0 0 0 1 0 0 1 0 -1 0 3 5 3 2 1 2 1 -1 -1 9 16 8 5 2 3 1 -1 -1 1 1 0 -1 0 0 1 0 0 3 4 1 0 0 1 1 1 -1 7 10 5 3 2 2 1 1 0 0 1 1 0 1 0 1 1 0 1 2 3 1 1 0 1 0 0 3 5 5 3 1 0 1 -1 0 0 0 1 0 0 -1 -1 -1 -1 1 2 3 2 0 -1 -1 -1 -1 2 3 4 2 1 0 0 -1 -1 0 0 0 0 1 -1 0 0 -1 0 0 0 1 1 0 0 -1 -2 1 1 1 1 1 1 0 -1 -1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 0 0 !Region 7: Section 4->6 15 33 30 26 14 11 4 2 0 16 40 50 52 34 31 12 5 1 6 17 32 39 31 30 13 7 1 40 76 64 52 33 21 8 3 0 46 93100 99 80 52 22 8 1 18 40 56 69 68 48 25 11 3 34 65 53 43 30 19 6 1 0 43 85 85 86 65 41 17 6 2 16 37 47 60 53 34 20 11 3 32 52 38 29 18 12 2 0 0 42 67 62 57 40 25 11 6 2 16 29 34 41 33 22 15 11 4 27 37 24 18 12 8 2 1 0 37 49 39 33 26 18 8 4 1 13 20 20 23 21 17 12 7 2 12 20 15 11 6 5 2 -1 0 18 28 22 21 14 10 7 3 0 7 12 12 14 12 9 7 4 1 5 9 9 8 3 2 1 0 0 7 12 14 16 7 4 3 2 0 3 5 7 11 6 3 4 2 0 2 4 5 5 3 2 -1 0 0 3 6 8 8 6 3 1 1 1 2 3 4 5 4 2 1 2 1 0 1 2 2 0 1 0 0 0 0 2 3 3 2 1 0 1 1 0 1 2 2 1 1 1 1 0 !Region 7: Section 7->9 1 2 8 11 10 11 7 5 2 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 3 7 11 17 21 18 15 11 4 1 1 1 1 1 2 5 5 2 0 0 0 0 0 0 1 0 0 0 5 8 14 15 12 12 12 4 -1 0 0 0 1 2 4 6 3 -1 -1 -1 -1 0 -1 0 0 1 0 4 5 10 11 10 9 11 4 -1 0 0 0 2 2 3 5 2 -1 0 0 -1 1 0 1 0 0 -1 2 3 5 6 8 7 6 2 -1 0 0 0 0 2 2 3 1 0 0 0 0 0 0 0 0 1 0 2 1 2 3 4 2 2 0 -1 1 0 0 0 0 1 0 0 -1 0 0 0 0 -1 1 0 0 0 0 0 2 1 0 1 1 -1 0 -1 -1 0 0 -1 0 0 -1 0 0 0 0 0 -1 1 -1 0 2 1 -1 0 0 0 0 2 1 1 0 -2 -1 0 0 0 1 0 0 -1 -1 0 0 0 0 -1 0 0 0 0 0 -1 0 1 2 0 0 0 -1 0 0 0 1 1 0 0 0 -1 0 1 0 0 0 0 I/Sigma = 53.04 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 8 Sum = 11053.1; Maximum = 143.103; FM = 0.454 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 2 4 2 1 0 0 0 0 0 8 15 8 6 2 1 1 0 0 0 0 1 0 0 0 0 0 0 4 8 6 3 1 1 1 0 0 17 36 27 15 6 3 2 1 0 0 0 1 0 0 0 0 0 0 5 11 8 4 1 1 1 0 0 23 51 38 20 7 3 2 1 0 0 0 0 0 0 1 0 0 0 7 15 11 4 2 2 1 0 0 30 65 49 22 8 3 2 1 0 1 0 0 0 0 1 0 0 0 10 19 13 4 2 2 1 1 0 37 78 58 21 6 3 2 2 1 1 0 0 0 0 1 1 0 0 12 21 13 4 1 2 1 1 0 44 85 55 18 5 2 1 1 0 0 0 1 1 0 0 0 0 0 12 19 12 5 1 1 1 1 0 42 77 47 16 4 2 1 1 0 0 0 1 1 0 0 0 0 0 9 15 10 3 1 0 1 1 0 32 57 34 10 3 1 2 1 0 0 0 0 0 0 0 0 0 0 1 3 3 1 0 0 0 1 0 7 17 12 4 1 0 0 0 0 !Region 8: Section 4->6 9 21 19 14 14 5 2 0 0 5 17 26 25 44 18 6 3 1 2 8 17 25 47 22 9 5 1 26 56 55 44 27 11 4 2 0 17 40 65 84 77 37 14 6 1 5 16 44 78 83 43 20 10 2 35 77 69 50 29 12 4 2 1 22 50 73 93 84 42 15 7 2 5 18 49 86 90 48 21 11 3 42 91 77 49 28 11 3 2 0 23 53 71 85 75 38 13 6 2 5 18 44 78 78 44 19 9 3 48 99 80 42 20 8 3 2 0 24 47 59 65 52 26 11 5 1 5 12 33 57 54 31 16 8 2 50100 71 32 13 6 2 2 0 19 41 43 41 32 19 10 5 1 3 9 21 33 32 23 14 6 1 43 86 55 22 9 5 2 1 0 13 31 30 25 22 15 8 4 1 1 5 13 20 23 18 12 5 1 32 61 37 14 8 4 2 1 0 9 20 18 15 17 11 6 3 1 1 3 8 12 17 13 9 4 1 10 21 12 5 4 1 1 0 0 3 8 5 6 9 3 3 1 0 0 1 2 5 8 4 4 2 0 !Region 8: Section 7->9 0 2 4 8 14 8 4 3 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 3 11 22 26 15 10 6 2 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 1 3 12 24 27 17 10 7 2 0 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 3 10 22 23 14 8 6 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 1 2 8 15 15 10 7 5 2 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 1 2 5 9 9 8 6 3 1 0 1 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 3 5 7 7 6 3 1 0 0 0 1 1 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 2 3 5 5 4 2 1 0 0 0 0 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 I/Sigma = 149.78 Thresh = 0.020 Blend = F #Contributing = 34 InitialProfileWt = 0.046 Region 9 Sum = 112598; Maximum = 1995.91; FM = 0.785 !Region 9: Section 1->3 0 1 0 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 2 5 4 3 1 1 0 0 0 0 1 1 0 0 0 0 0 0 2 6 6 4 2 1 0 0 0 4 14 15 12 6 2 1 0 0 1 1 1 0 0 0 0 0 0 3 7 8 7 4 1 1 0 0 5 18 26 28 17 5 2 1 0 0 1 1 1 0 0 0 0 0 2 8 9 10 7 3 1 0 0 5 20 33 41 33 14 4 1 0 0 1 1 1 0 0 0 0 0 2 7 9 11 9 5 2 1 0 4 18 31 42 40 22 8 2 1 0 1 1 1 0 0 0 0 0 2 5 8 10 9 6 2 1 0 3 13 23 35 37 24 9 3 1 0 0 0 0 0 0 0 0 0 1 4 6 7 8 5 2 1 0 3 10 16 23 27 19 7 2 1 0 0 0 0 0 0 0 0 0 1 3 5 5 5 4 1 0 0 2 7 12 15 16 12 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 1 2 4 4 4 4 1 1 0 !Region 9: Section 4->6 2 6 7 8 6 3 1 0 0 2 5 8 11 10 6 2 0 0 1 3 4 7 6 3 1 0 0 7 20 27 27 17 7 3 1 0 6 18 29 36 26 13 5 1 0 2 7 14 20 16 9 3 1 0 11 35 55 57 35 14 4 1 0 11 35 55 60 41 19 7 2 0 4 13 22 29 23 12 5 2 0 13 45 77 90 68 31 10 2 0 15 49 79 92 68 33 12 3 0 6 19 31 39 31 17 7 2 0 11 42 73 94 84 45 16 4 1 15 51 82100 83 42 15 4 1 7 23 35 44 35 19 8 3 1 6 27 54 77 74 44 18 6 2 8 34 66 89 74 39 16 6 1 5 18 32 40 32 16 8 3 1 3 14 32 49 49 29 12 5 1 3 16 39 59 48 24 12 6 1 2 9 21 28 21 10 6 4 1 2 8 15 23 23 15 7 3 1 1 6 14 22 19 11 7 4 1 0 3 7 10 8 5 4 3 1 1 3 5 6 5 5 2 1 0 0 2 5 5 5 4 2 1 0 0 1 2 2 2 2 1 1 0 !Region 9: Section 7->9 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 5 5 4 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 4 2 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 5 5 4 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 4 4 4 3 3 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 3 3 2 2 2 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 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 ................ 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 (204 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) 204 0 204 8.6835 0.8923 10.187 119.539 Orientation ('UB') matrix: 0.1439519 0.0358703 -0.0039001 0.0307348 -0.0025588 0.0773968 0.0659536 -0.0770991 -0.0043832 A B C Alpha Beta Gamma Vol 6.2465 11.7545 12.9805 90.000 97.012 90.000 945.96 0.0004 0.0008 0.0017 0.000 0.007 0.000 0.23 Corrected for goodness of fit: 0.0014 0.0027 0.0059 0.000 0.023 0.000 0.78 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.283 96.153 24.284 Goniometer zeros (deg): 0.0000* -0.0399 0.0000* -0.0368 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -3.9582 -0.3691 0.0732 -0.4323 -0.2361 0.7857 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.69391e+04 6.48240e+03 3.36 3 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 180 Average input ESD (pix, pix, deg): 0.16489 0.13336 0.05185 Goodness of fit: 4.00447 3.29820 2.34752 Average missing volume: 0.038 Repeat orientation and spot-shape refinement ============= 10/26/2021 10:24:57 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 0.091 0.327 Profile convolver halfwidth: 1.00 1.00 1.79 Background pixels updated = 92.21% 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 18 0.78 0.78 2.27 1.000 2_0003 2 0.39 -0.29 0.01 0.54 0.30 0.09 2289.8 11 0 0.43 25 0.78 0.78 2.27 1.000 3_0004 10 0.05 -0.18 0.05 0.18 0.23 0.09 72860 73 0 0.57 28 0.78 0.78 2.27 1.000 4_0005 10 -0.01 -0.12 0.03 0.13 0.16 0.07 94269 75 0 0.70 29 0.78 0.78 2.27 1.000 5_0006 8 0.13 -0.19 -0.03 0.36 0.23 0.21 35522 54 0 0.71 23 0.78 0.78 2.27 1.000 6_0007 11 -0.00 -0.20 0.03 0.34 0.28 0.13 79913 73 0 0.72 32 0.78 0.78 2.27 1.000 7_0008 10 -0.09 -0.12 0.09 0.20 0.19 0.12 39546 50 10 0.58 27 0.78 0.78 2.27 1.000 8_0009 6 0.13 -0.20 0.02 0.24 0.24 0.08 55788 64 17 0.72 27 0.78 0.78 2.27 1.000 9_0010 9 0.02 -0.16 0.04 0.11 0.17 0.10 80007 85 0 0.68 29 0.78 0.78 2.27 1.000 10_0011 9 0.02 -0.20 -0.01 0.15 0.27 0.15 51052 60 0 0.73 26 0.78 0.78 2.27 1.000 11_0012 7 -0.05 -0.23 0.05 0.27 0.29 0.13 65954 71 0 0.69 30 0.78 0.78 2.27 1.000 12_0013 7 0.01 -0.13 0.04 0.16 0.19 0.06 103006 95 0 0.80 38 0.78 0.78 2.27 1.000 13_0014 9 -0.06 -0.08 0.05 0.12 0.10 0.08 21658 39 0 0.70 26 0.78 0.78 2.27 1.000 14_0015 7 -0.04 -0.10 0.14 0.14 0.13 0.22 49141 70 0 0.69 27 0.78 0.78 2.27 1.000 15_0016 14 -0.00 -0.20 0.16 0.11 0.26 0.44 47220 52 0 0.66 26 0.78 0.78 2.27 1.000 16_0017 7 -0.04 -0.11 0.05 0.19 0.14 0.10 29614 43 0 0.62 28 0.78 0.78 2.27 1.000 17_0018 11 0.09 -0.08 -0.01 0.28 0.25 0.13 45630 52 9 0.68 28 0.78 0.78 2.27 1.000 18_0019 5 0.11 -0.12 0.07 0.19 0.13 0.08 22361 41 0 0.73 37 0.78 0.78 2.27 1.000 19_0020 4 -0.07 -0.10 0.02 0.12 0.13 0.03 62366 63 0 0.78 27 0.78 0.78 2.27 1.000 Background pixels updated = 93.36% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 9 0.14 -0.07 -0.01 0.55 0.13 0.07 44108 52 0 0.67 27 0.78 0.78 2.27 1.000 21_0022 11 0.01 -0.11 0.01 0.19 0.13 0.14 71347 69 0 0.66 28 0.78 0.78 2.27 1.000 22_0023 11 -0.05 -0.07 0.00 0.12 0.11 0.13 42894 57 0 0.70 26 0.78 0.78 2.27 1.000 23_0024 11 0.14 -0.11 -0.06 0.42 0.17 0.31 44561 47 0 0.70 26 0.78 0.78 2.27 1.000 24_0025 6 -0.05 -0.13 0.11 0.13 0.18 0.31 68348 60 0 0.84 28 0.78 0.78 2.27 1.000 25_0026 5 0.07 -0.06 0.00 0.17 0.08 0.04 25345 29 0 0.66 27 0.78 0.78 2.27 1.000 26_0027 9 0.04 -0.06 0.05 0.18 0.11 0.08 75945 59 0 0.67 28 0.78 0.78 2.27 1.000 27_0028 9 0.02 -0.06 0.04 0.35 0.11 0.19 8090.7 22 0 0.68 26 0.78 0.78 2.27 1.000 28_0029 13 -0.02 -0.15 0.03 0.18 0.22 0.19 38416 54 0 0.76 31 0.78 0.78 2.27 1.000 29_0030 11 -0.01 -0.07 0.03 0.15 0.10 0.06 120966 89 0 0.66 28 0.78 0.78 2.27 1.000 I/Sigma = 49.39 Thresh = 0.020 Blend = F #Contributing = 55 InitialProfileWt = 0.035 Region 1 Sum = 13228.6; Maximum = 165.026; FM = 0.747 !Region 1: Section 1->3 1 1 0 0 0 0 0 0 0 3 7 5 3 2 1 1 0 0 6 18 15 10 6 3 2 1 0 1 1 1 1 0 0 0 0 0 4 13 11 6 3 1 1 1 0 10 34 35 25 14 7 4 2 1 1 1 1 1 0 0 0 0 0 4 12 10 6 3 2 1 1 0 13 39 38 27 16 8 4 2 1 1 1 1 0 0 0 0 0 0 3 11 9 5 3 2 1 1 0 11 35 37 26 16 9 4 2 1 1 1 1 0 1 0 0 0 0 2 8 7 4 3 1 1 1 0 11 30 32 25 16 8 3 2 1 0 1 0 0 0 0 0 0 0 2 6 6 3 2 1 1 1 0 8 26 27 19 11 6 3 2 1 0 0 0 0 0 0 0 0 0 1 3 3 1 1 1 0 1 0 5 16 14 10 7 4 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 1 0 4 9 7 6 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 2 2 1 0 0 0 !Region 1: Section 4->6 6 22 22 17 14 11 7 3 1 3 13 14 14 15 15 11 7 2 1 2 3 5 7 9 8 7 2 14 46 62 62 49 34 19 9 2 8 28 50 66 65 57 37 18 4 2 6 14 26 36 40 32 17 5 21 60 73 69 57 38 19 9 2 12 37 58 70 76 64 39 19 5 2 7 16 28 42 45 35 20 6 20 61 80 78 67 46 25 12 3 13 44 73 92100 86 57 29 8 2 10 24 43 61 65 54 32 10 20 54 70 71 59 37 20 10 3 13 38 60 76 84 67 47 25 6 2 9 19 34 51 54 46 27 8 17 50 61 56 45 28 15 7 2 11 35 52 64 68 55 37 20 5 2 7 16 29 42 45 39 25 8 11 33 37 38 37 25 13 6 2 8 24 36 50 63 51 33 16 4 1 5 13 26 41 42 35 22 7 7 17 18 18 17 12 7 4 1 4 12 17 22 25 23 17 10 3 1 3 6 12 17 21 20 15 5 2 7 9 9 8 6 3 1 0 1 5 10 14 17 14 9 5 2 0 2 4 8 12 12 10 7 3 !Region 1: Section 7->9 0 0 1 1 1 3 4 4 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 5 9 14 14 9 3 0 0 1 1 1 3 3 3 1 0 0 0 0 0 0 0 0 0 1 1 2 5 10 15 16 13 5 0 1 1 1 1 2 4 4 2 0 0 0 0 0 0 1 1 0 1 2 4 8 15 22 24 18 7 0 1 1 1 2 3 6 5 3 0 0 0 0 0 0 1 1 0 1 2 3 8 14 20 22 17 7 0 1 1 1 2 3 5 5 3 0 0 0 0 0 0 1 1 0 0 1 3 6 11 17 19 17 8 0 1 1 1 2 3 5 6 4 0 0 0 0 0 0 1 1 0 0 1 2 5 10 15 18 18 8 0 1 1 1 1 3 6 7 4 0 0 0 0 0 0 1 1 0 0 1 1 3 6 10 14 14 7 0 1 1 1 1 3 5 7 4 0 0 1 0 0 0 1 1 1 0 0 1 2 3 4 5 5 3 0 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 I/Sigma = 331.10 Thresh = 0.020 Blend = F #Contributing = 53 InitialProfileWt = 0.031 Region 2 Sum = 372063; Maximum = 6502.01; FM = 0.943 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 3 6 6 4 2 1 0 0 0 0 1 1 1 0 0 0 0 0 2 5 6 5 3 1 0 0 1 7 15 20 19 10 4 1 0 0 0 1 1 1 0 0 0 0 1 2 5 7 7 4 1 0 0 2 8 17 26 29 19 6 1 0 0 0 0 0 1 0 0 0 0 0 2 4 6 6 5 2 1 0 2 7 16 27 32 28 12 3 0 0 0 0 0 0 0 0 0 0 0 1 3 4 5 4 2 1 0 1 5 13 22 27 25 14 4 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 0 2 8 13 17 16 9 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 4 8 10 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 !Region 2: Section 4->6 1 3 7 10 6 4 2 1 0 1 3 5 10 7 5 3 1 0 0 1 3 5 5 3 2 1 0 2 9 21 37 37 20 7 2 0 1 8 19 38 38 21 8 3 0 1 4 10 20 21 12 5 2 0 3 14 31 54 60 41 14 4 0 3 15 37 67 70 47 18 5 0 1 8 22 41 42 28 11 3 0 3 16 39 67 77 65 29 6 1 3 22 56 92 98 79 37 9 1 2 14 36 57 59 46 22 6 1 2 13 37 62 73 67 38 11 1 2 20 60 92100 90 53 16 3 1 14 42 63 65 56 33 11 2 1 6 22 44 55 47 25 8 2 1 9 35 71 84 71 38 13 3 1 7 26 52 59 49 27 10 3 0 2 10 28 36 27 11 4 1 0 3 13 41 56 43 18 7 2 0 2 10 30 42 32 15 7 2 0 1 3 10 14 10 4 2 0 0 1 4 13 23 17 7 3 1 0 1 3 10 18 15 7 4 1 0 0 1 2 3 2 1 0 0 0 0 1 3 5 4 2 1 0 0 0 1 2 4 4 2 1 0 !Region 2: Section 7->9 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 4 2 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 11 12 8 4 1 0 0 1 2 3 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 3 9 15 16 12 6 2 0 0 1 2 4 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 4 12 20 21 16 10 4 0 0 1 3 6 6 5 3 1 0 0 0 0 0 1 1 0 0 0 0 2 9 19 22 17 10 5 1 0 1 3 6 7 5 4 2 0 0 0 0 0 0 1 0 0 0 0 1 4 12 17 13 8 4 1 0 0 1 3 5 5 3 2 0 0 0 0 0 0 0 0 0 0 0 1 2 5 9 8 5 3 1 0 0 1 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 136.16 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.069 Region 3 Sum = 94570.3; Maximum = 1849.56; FM = 0.866 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 1 2 3 5 6 7 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 4 1 0 1 3 5 9 12 15 13 4 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 5 3 1 0 1 3 6 10 14 16 11 3 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 4 2 0 0 1 3 5 10 14 14 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 1 0 0 1 2 5 9 12 10 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 4 8 9 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 3: Section 4->6 0 1 3 7 12 13 9 5 1 0 1 2 6 14 16 8 5 1 0 0 1 2 6 8 4 3 1 0 2 6 14 25 31 28 19 5 0 2 6 18 37 44 36 18 3 0 1 3 9 20 25 19 9 1 0 2 8 22 37 42 37 22 5 0 3 12 37 64 69 53 28 7 0 2 7 22 40 41 29 14 3 0 3 11 29 47 50 38 20 4 1 5 22 59 90 86 58 27 6 1 5 17 41 57 50 31 13 3 1 4 17 35 51 50 32 14 2 1 11 38 75100 89 50 18 3 1 11 30 52 62 52 27 9 1 1 5 18 34 46 40 21 7 1 2 15 43 74 89 71 34 10 1 2 15 32 49 54 43 20 6 1 1 5 15 27 33 23 9 3 1 3 13 36 60 64 43 18 4 1 3 12 26 40 41 28 13 4 0 1 4 9 16 18 10 4 1 0 2 9 23 37 37 22 9 3 0 2 9 18 27 26 17 8 3 0 0 1 3 5 5 2 1 0 0 0 2 9 12 12 6 2 1 0 0 3 7 10 11 7 3 1 0 !Region 3: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 7 7 5 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 9 8 5 3 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 6 8 8 7 6 4 1 0 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 6 8 9 8 6 4 1 0 0 2 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 6 9 8 7 6 3 1 0 1 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 3 4 5 3 2 1 0 0 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 33.17 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.263 Region 4 Sum = 6122.59; Maximum = 102.956; FM = 0.64 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 1 4 5 5 3 1 0 0 0 4 16 22 24 15 4 2 1 0 0 0 0 0 0 0 1 1 0 1 7 9 8 6 2 1 2 0 7 30 42 37 26 9 3 3 1 0 0 0 0 0 0 0 1 0 1 5 7 6 4 1 2 1 1 5 21 31 28 21 9 4 2 1 0 0 0 0 0 0 1 1 0 1 3 4 4 4 1 2 1 1 2 12 20 20 16 7 5 2 1 0 0 0 0 1 0 0 0 0 1 1 2 3 3 1 1 1 1 1 5 9 11 9 5 3 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 0 1 2 4 6 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 0 0 !Region 4: Section 4->6 4 17 25 28 19 7 3 1 0 2 6 10 13 16 9 6 2 1 1 2 3 6 14 8 8 3 1 8 34 51 47 34 16 6 3 1 4 15 26 32 37 31 16 6 1 2 5 11 20 34 36 20 7 1 6 27 40 39 31 16 7 3 1 3 15 26 37 48 40 24 10 2 1 6 14 29 52 50 31 13 2 3 15 27 30 25 14 9 3 1 2 9 21 38 56 52 34 13 3 1 5 14 35 67 70 47 19 4 1 6 13 20 18 12 7 4 1 1 4 15 35 61 66 44 19 4 1 3 13 37 78 93 65 29 6 1 3 7 11 12 10 6 3 1 0 3 12 29 55 69 50 24 5 0 2 12 34 74100 77 37 8 1 1 3 5 7 8 4 2 1 0 2 9 20 45 62 50 25 6 0 2 10 27 62 91 79 40 10 1 1 2 3 5 6 4 2 0 0 1 6 14 33 52 47 24 6 0 1 7 19 47 76 73 39 10 0 0 1 1 1 2 2 1 0 0 1 2 5 11 28 21 8 2 0 1 2 7 16 43 32 14 3 !Region 4: Section 7->9 0 1 1 1 4 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 3 6 11 12 7 2 1 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 2 4 8 17 17 11 4 1 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 4 10 23 26 18 8 1 0 0 1 0 1 1 1 1 0 0 0 1 0 0 1 1 1 0 0 1 4 12 28 34 25 11 2 0 -1 0 0 0 0 1 1 0 0 0 0 0 -1 0 1 1 0 0 1 4 11 26 37 30 14 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 9 22 34 31 17 4 0 1 2 0 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 3 7 17 29 29 16 4 0 1 1 0 2 2 1 2 1 0 0 1 0 1 1 1 1 0 0 0 1 2 6 17 13 6 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 35.05 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.875 Region 5 Sum = 559.646; Maximum = 9.35966; FM = 0.71 !Region 5: Section 1->3 0 2 0 0 3 1 0 0 0 1 5 4 2 4 2 0 0 0 1 4 8 6 5 4 0 1 0 1 4 0 0 2 0 2 1 -1 3 11 4 5 5 4 3 2 0 2 12 12 13 9 6 2 3 0 1 3 -3 0 0 -2 -1 -1 -1 2 6 0 5 3 -2 0 -1 -1 3 8 10 12 6 1 0 2 1 0 -1 -1 0 -1 -2 0 -1 0 1 1 2 4 2 0 1 0 0 1 4 7 9 4 0 0 2 1 0 1 1 2 0 -1 -1 -2 0 1 4 3 5 1 1 -1 -1 -1 1 6 5 6 2 3 -1 -1 -1 1 3 1 2 0 -2 -1 -3 -1 1 5 -1 2 1 0 0 -3 -1 1 4 -1 1 0 0 0 -3 0 1 3 -1 -2 -1 0 0 0 0 1 5 -1 -2 -1 0 2 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 -1 -2 1 -1 0 0 0 -1 -2 -2 -2 3 -1 0 0 -1 -2 -3 -2 0 1 -1 0 -1 -3 -1 -1 -1 0 0 0 0 -1 -3 0 -1 -1 1 1 -1 0 0 -1 2 0 -1 1 0 -1 0 !Region 5: Section 4->6 0 6 18 18 19 9 10 4 0 1 11 28 30 36 18 23 6 0 0 4 11 15 17 12 13 2 0 2 16 33 46 36 28 24 13 1 4 25 51 80 69 59 53 25 2 2 11 22 36 35 33 28 12 1 2 16 41 54 46 32 26 17 2 2 25 71100 95 77 62 38 5 0 12 32 46 47 46 34 23 3 2 16 32 44 41 35 20 19 3 4 29 60 87 94 91 57 43 5 2 15 27 44 53 58 38 26 3 2 14 21 33 36 34 19 13 2 4 22 42 69 85 91 69 41 6 2 10 22 38 51 64 60 31 4 1 7 11 22 31 26 17 11 2 2 11 26 55 79 73 55 40 6 1 4 12 33 49 52 45 32 5 0 2 6 18 21 12 14 9 1 1 5 13 40 50 38 41 29 5 1 1 5 20 29 30 32 24 5 0 -1 3 9 12 8 10 8 1 0 2 9 24 33 26 33 27 3 0 1 4 13 21 22 27 23 3 0 0 3 5 3 5 3 2 1 -1 -1 3 11 10 15 11 7 1 -1 -1 2 6 7 11 9 7 1 !Region 5: Section 7->9 0 0 -1 1 0 3 3 0 0 0 0 -1 -1 -1 0 2 1 0 0 0 -1 0 -1 0 1 1 0 -1 -1 -1 2 1 6 4 1 0 -1 -3 -2 1 -2 1 3 1 0 0 -1 -1 0 -1 0 1 0 0 0 0 1 4 3 8 4 5 1 0 -2 0 4 -1 1 1 3 1 0 -1 0 2 0 0 0 1 0 2 3 1 4 7 9 7 4 0 2 2 1 0 2 0 1 1 -1 1 1 0 0 1 0 1 1 -1 1 2 3 4 10 13 17 8 1 1 3 1 -1 4 -1 3 1 0 1 1 0 -1 2 -1 1 0 0 -1 -1 0 5 9 9 13 9 2 -2 -2 -2 0 1 -3 4 2 1 -1 -1 -1 0 0 -1 1 1 0 -1 -2 -1 3 5 6 8 8 3 -2 -3 -2 1 1 -2 2 5 2 -1 -1 -1 0 0 -1 1 2 1 0 -1 0 2 3 6 6 7 2 0 -1 0 1 -1 0 -1 2 1 0 0 0 0 -1 0 -1 1 0 0 0 0 2 1 2 2 3 1 0 0 1 2 -2 -1 -1 2 1 0 0 0 1 -1 0 0 1 0 I/Sigma = 15.84 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 6 Sum = 1207.32; Maximum = 19.3924; FM = 0.521 !Region 6: Section 1->3 0 0 0 0 0 0 0 0 0 3 11 6 3 3 2 1 -1 0 7 26 18 10 7 4 2 0 -1 0 0 -2 2 2 1 0 -1 0 5 22 13 7 6 3 1 0 0 12 54 40 19 14 6 3 2 0 0 2 0 1 1 1 1 -1 0 5 27 16 5 3 1 1 -1 0 12 66 45 16 10 2 1 -2 -1 0 1 0 1 0 2 1 -2 0 6 27 16 4 2 1 0 -2 -1 13 66 45 13 7 1 -1 -1 -1 0 0 -1 -1 1 1 0 -2 0 4 17 11 5 4 1 2 0 0 10 45 33 15 8 2 5 4 0 0 2 0 -1 0 -1 -3 -1 0 3 11 5 3 1 1 2 1 0 7 25 16 10 4 3 7 4 0 0 1 0 -1 0 -1 -1 -1 0 1 5 4 1 0 0 1 0 0 3 12 9 4 2 1 5 3 0 0 -1 -3 -3 0 0 1 -1 0 0 2 1 0 0 1 1 0 0 1 7 5 3 0 0 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 -1 1 1 0 0 !Region 6: Section 4->6 4 17 14 10 7 4 3 2 1 0 2 4 10 16 9 15 10 4 0 0 3 11 20 12 20 13 4 7 36 31 18 16 10 7 4 1 1 8 17 26 48 54 49 31 7 0 4 16 28 59 74 76 48 8 8 44 34 19 16 9 8 3 0 1 9 19 41 60 64 64 37 7 0 4 18 48 75 90100 59 9 8 43 35 18 14 8 7 4 1 1 8 18 41 64 59 62 46 6 0 3 17 45 83 83 97 77 8 6 30 26 15 12 9 10 6 1 1 7 14 32 54 55 55 37 6 1 5 13 38 73 76 84 62 9 4 16 13 11 9 6 7 5 1 2 6 7 21 39 38 38 29 5 2 6 6 24 50 57 63 50 7 2 8 6 5 5 3 4 3 1 1 3 4 12 19 22 21 17 3 0 3 6 14 24 35 38 30 5 1 6 3 3 2 1 3 2 0 -1 1 4 5 8 15 15 13 3 -2 0 5 7 12 24 25 22 5 0 2 1 2 0 1 1 0 0 0 1 2 1 2 4 4 6 2 0 0 2 1 2 5 7 12 3 !Region 6: Section 7->9 0 -1 1 4 6 4 7 4 1 0 -1 0 2 2 1 0 0 0 0 0 0 2 0 1 0 0 0 0 1 4 8 19 27 32 20 3 0 -1 -2 1 2 0 -1 -1 0 0 0 -1 2 0 0 -1 -1 0 0 1 5 15 24 33 42 24 3 0 0 -1 0 -1 0 -2 -3 0 0 -1 0 -1 -1 1 -1 -3 0 0 0 5 13 28 30 40 34 3 0 -1 1 0 -1 0 -2 -2 0 0 -1 0 -1 -1 0 -1 -2 0 0 1 4 12 27 28 34 29 3 0 -1 1 -2 1 0 -1 -1 0 0 -1 2 -3 1 1 0 -1 0 1 2 2 8 16 23 28 23 3 0 1 1 1 -2 2 -1 -1 0 0 1 1 1 -2 1 0 -1 0 0 1 4 4 8 16 18 14 2 0 0 3 -1 -1 2 -1 -1 0 0 0 3 0 -1 1 -1 -1 0 -1 0 2 2 5 11 12 11 2 0 -1 0 -4 -2 1 3 2 0 0 -1 0 -4 -2 0 2 2 0 0 0 0 0 0 1 4 6 1 1 2 0 -2 -3 -4 1 1 0 1 1 0 -2 -2 -4 0 1 0 I/Sigma = 31.66 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 7 Sum = 4300.28; Maximum = 59.6456; FM = 0.625 !Region 7: Section 1->3 0 0 1 0 0 0 0 0 0 1 4 3 1 1 1 0 0 0 4 12 9 3 3 2 1 0 0 0 0 1 1 0 -1 0 0 0 3 9 7 3 2 1 1 1 0 8 28 21 12 8 5 2 2 1 0 0 0 0 0 0 0 0 0 2 10 8 3 1 0 0 1 0 9 35 28 14 7 3 2 2 1 0 1 0 0 0 0 0 0 0 4 12 7 3 2 1 1 1 0 12 37 27 13 7 5 3 2 0 0 1 0 0 1 0 0 1 0 5 12 6 3 4 2 2 2 0 12 31 21 9 7 5 3 3 0 0 1 0 1 1 0 0 0 0 4 10 6 2 1 2 1 1 0 10 24 19 7 4 3 2 2 0 0 1 0 1 0 0 -1 0 0 3 6 4 2 1 1 0 2 0 6 16 10 4 3 2 2 3 0 0 0 1 1 0 0 -1 0 0 1 2 3 2 4 1 0 0 0 3 7 6 3 6 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 -1 0 0 !Region 7: Section 4->6 6 20 18 15 16 10 6 2 0 5 18 22 27 36 26 19 6 0 1 6 10 16 28 24 21 6 0 12 47 47 45 40 22 14 8 1 10 43 58 77 85 68 46 23 3 3 15 26 46 64 71 54 25 4 14 62 65 52 44 27 17 8 1 12 59 82 91100 79 58 27 4 3 20 37 57 78 77 64 32 6 16 66 65 48 40 28 18 8 1 12 66 87 84 90 78 57 25 4 4 24 41 52 69 72 58 29 6 14 53 51 39 29 19 13 6 1 10 59 71 72 69 57 40 18 3 4 24 34 44 54 56 40 22 5 10 39 42 27 18 12 8 3 0 6 46 60 52 43 34 23 12 2 2 19 29 33 34 34 24 15 4 6 26 23 17 13 7 5 4 0 5 30 36 31 27 22 16 10 2 2 12 18 18 20 20 17 12 3 3 10 10 8 9 3 2 2 0 2 10 16 15 18 12 7 5 1 1 5 8 10 14 13 8 6 2 0 1 2 2 3 1 0 0 0 0 1 3 5 7 5 1 2 0 0 1 2 3 5 5 1 2 0 !Region 7: Section 7->9 0 0 1 3 7 8 8 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 10 17 25 23 12 2 0 -1 0 1 1 2 4 3 1 0 0 0 0 0 0 0 0 0 0 3 5 12 21 25 26 16 3 0 1 1 1 1 2 3 5 1 0 0 0 0 0 1 0 1 0 0 3 6 10 18 22 22 14 3 0 1 1 1 1 1 3 4 1 0 1 0 0 0 0 0 1 0 0 2 4 9 14 18 16 12 3 0 0 0 1 1 1 2 4 1 0 0 0 0 0 0 0 1 0 0 3 4 7 9 12 11 8 2 0 2 1 1 0 2 3 3 1 0 0 0 0 0 1 1 1 0 0 1 2 4 5 6 7 6 1 0 0 1 1 0 0 1 2 0 0 0 0 0 0 0 0 1 0 0 0 1 2 3 5 3 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 58.38 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 8 Sum = 13009.4; Maximum = 165.549; FM = 0.599 !Region 8: Section 1->3 0 0 1 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 3 10 5 5 2 1 1 0 0 0 0 0 1 0 0 0 0 0 2 3 2 2 1 1 0 1 0 9 22 15 10 6 3 1 1 0 0 0 0 1 0 0 0 0 0 2 3 3 2 1 1 0 0 0 11 28 23 17 10 4 2 1 0 0 0 0 1 0 0 0 0 0 3 5 4 3 2 1 1 1 0 15 37 31 24 14 5 2 1 1 0 0 0 0 1 1 1 0 0 4 6 4 4 2 1 1 1 0 21 48 40 32 15 5 2 2 1 0 1 0 0 0 0 1 0 0 5 9 6 3 1 1 1 1 0 22 58 48 34 13 4 2 1 0 0 1 0 0 0 0 1 0 0 4 8 5 3 2 1 1 1 0 21 58 48 31 13 3 2 1 0 0 0 0 0 0 0 0 0 0 3 6 4 3 2 1 1 1 1 16 46 38 23 9 2 1 1 1 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 0 0 0 3 11 13 10 3 1 1 1 0 !Region 8: Section 4->6 4 16 12 11 9 5 3 1 0 2 8 11 15 24 23 11 3 1 0 2 6 12 33 39 20 6 2 12 37 33 27 22 12 6 2 1 6 21 29 40 50 44 25 8 2 1 5 13 37 65 71 45 16 4 17 50 52 46 32 15 6 3 1 9 31 47 60 65 52 28 9 2 2 7 20 51 82 85 52 18 5 22 67 70 59 37 16 6 2 1 12 43 60 67 65 51 28 9 3 3 10 23 50 79 82 52 18 6 30 86 85 69 38 15 6 3 1 16 52 65 67 59 42 23 8 2 4 10 20 42 68 64 41 16 5 33100 95 70 32 10 4 2 1 17 58 66 58 42 26 15 6 2 4 11 17 30 43 39 28 14 5 32 96 88 60 26 7 3 1 0 17 52 54 44 27 16 11 5 1 3 8 11 20 25 25 20 11 3 23 76 68 43 16 4 2 1 0 11 38 39 29 16 11 8 4 1 2 5 7 12 14 19 16 9 3 4 18 23 17 5 2 1 1 0 2 9 13 11 6 3 3 2 1 0 1 2 4 6 5 6 5 2 !Region 8: Section 7->9 0 1 2 4 15 19 11 4 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 4 15 30 35 25 11 3 0 1 1 1 2 3 3 3 1 0 1 0 0 0 0 0 1 0 0 1 5 20 37 43 28 13 4 0 0 1 1 2 3 4 3 1 0 0 0 0 0 0 1 1 0 1 2 6 18 36 41 28 12 4 0 1 1 1 2 4 4 3 1 0 0 0 0 0 0 1 1 0 1 2 4 15 30 31 22 10 3 0 1 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 2 3 10 18 19 15 9 3 0 1 1 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 1 1 2 7 11 12 11 8 2 0 0 1 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 1 1 1 4 6 9 9 6 2 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 2 3 3 4 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 160.43 Thresh = 0.020 Blend = F #Contributing = 33 InitialProfileWt = 0.061 Region 9 Sum = 131887; Maximum = 2729.14; FM = 0.947 !Region 9: Section 1->3 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 2 2 1 0 0 0 0 0 2 5 6 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 0 2 6 8 10 11 8 3 1 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 2 6 9 13 16 14 8 3 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 2 5 9 14 16 14 10 4 1 0 0 0 0 0 0 0 0 0 1 2 2 2 1 1 1 0 0 2 5 8 12 13 12 8 4 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 0 0 1 4 7 10 10 9 6 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 3 5 7 7 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 3 2 1 0 0 !Region 9: Section 4->6 1 3 4 4 3 2 1 0 0 1 3 5 7 7 4 2 1 0 1 2 3 6 8 5 2 1 0 2 8 14 15 14 7 2 1 0 2 8 18 24 24 13 5 1 0 1 5 12 19 20 13 5 2 0 3 10 23 37 40 25 8 2 0 2 13 35 57 56 32 11 3 0 1 9 23 38 38 23 10 3 1 3 11 28 51 61 49 23 7 1 3 16 47 81 89 62 27 7 1 2 13 33 53 56 38 16 5 1 3 10 26 51 62 56 36 14 2 2 15 47 84100 82 47 16 2 2 13 36 59 67 51 26 8 1 2 7 19 37 50 48 32 14 2 1 8 31 65 88 74 42 17 3 1 7 25 51 65 49 24 9 2 1 5 12 23 32 31 18 7 1 1 4 15 35 54 47 22 9 2 0 2 10 28 42 31 14 6 2 1 4 8 14 17 16 9 3 1 0 2 8 15 22 19 10 4 1 0 1 4 10 15 12 6 4 1 0 2 3 5 5 4 2 1 0 0 1 3 4 5 5 3 1 0 0 0 1 2 3 3 2 1 1 !Region 9: Section 7->9 0 1 1 2 3 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 7 6 3 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 5 9 11 9 5 2 0 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 3 7 11 13 10 6 3 1 0 0 1 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 1 4 8 13 15 12 7 3 1 0 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 2 7 12 15 11 6 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 8 10 6 4 3 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (210 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) 210 0 210 8.6883 0.8923 10.181 119.521 Orientation ('UB') matrix: 0.1438630 0.0358907 -0.0039125 0.0304879 -0.0026050 0.0773065 0.0659565 -0.0770798 -0.0044345 A B C Alpha Beta Gamma Vol 6.2498 11.7556 12.9920 90.000 96.902 90.000 947.61 0.0003 0.0007 0.0017 0.000 0.006 0.000 0.21 Corrected for goodness of fit: 0.0009 0.0019 0.0045 0.000 0.017 0.000 0.56 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.195 96.151 24.305 Goniometer zeros (deg): 0.0000* 0.0001 0.0000* -0.0551 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.0402 -0.5432 0.0725 -0.3496 -0.2630 0.8098 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 6.13524e+03 4.26444e+03 2.65 3 5 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 210 210 200 Average input ESD (pix, pix, deg): 0.15471 0.12395 0.05723 Goodness of fit: 3.37826 2.43422 1.76555 Old XYZ spot size: 0.780 0.780 2.270 New XYZ spot size: 2.115 2.450 2.373 Average missing volume: 0.041 % with too much missing I: 2.540 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 10:24:58 Current XYZ spot size: 2.115 2.450 2.373 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): 0.296 0.284 0.336 Profile convolver halfwidth: 1.00 1.00 1.74 Background pixels updated = 92.02% 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 2.96 1.000 1_0002 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 0.00 0.00 2.96 1.000 2_0003 2 0.12 -0.26 0.22 0.70 0.34 0.22 4665.1 13 0 0.71 26 1.66 2.26 2.96 1.000 3_0004 9 0.02 -0.05 0.00 0.13 0.07 0.03 101088 86 0 0.70 28 2.83 3.50 2.96 1.000 4_0005 10 -0.04 -0.04 0.05 0.15 0.10 0.09 110331 83 0 0.75 29 2.65 3.56 3.04 1.000 5_0006 9 0.04 -0.09 0.05 0.30 0.12 0.09 36771 54 0 0.80 26 2.56 3.40 3.04 1.000 6_0007 8 0.07 -0.16 -0.05 0.55 0.31 0.20 82016 76 0 0.84 35 2.51 3.50 3.04 1.000 7_0008 11 -0.11 -0.06 0.07 0.27 0.09 0.12 72568 67 9 0.63 27 2.57 3.70 2.97 1.000 8_0009 7 0.04 -0.03 0.03 0.13 0.08 0.05 59334 66 14 0.75 27 2.64 3.82 2.97 1.000 9_0010 9 -0.06 -0.12 0.06 0.12 0.14 0.09 85759 89 0 0.75 31 2.65 3.78 2.96 1.000 10_0011 9 -0.04 -0.10 0.08 0.14 0.18 0.12 58995 65 0 0.78 27 2.71 3.81 2.93 1.000 11_0012 7 -0.10 -0.17 0.08 0.35 0.23 0.14 71023 73 14 0.73 30 2.66 3.77 2.92 1.000 12_0013 7 -0.19 -0.02 0.05 0.38 0.43 0.14 110615 99 0 0.82 37 2.72 3.81 2.91 1.000 13_0014 8 -0.03 -0.06 0.01 0.09 0.08 0.06 31562 48 0 0.80 28 2.67 3.81 2.84 1.000 14_0015 8 -0.01 -0.04 0.04 0.08 0.08 0.05 52791 68 0 0.75 27 2.64 3.80 2.87 1.000 15_0016 13 -0.07 -0.11 0.21 0.24 0.17 0.60 59436 60 0 0.73 26 2.63 3.77 2.93 1.000 16_0017 8 -0.02 -0.11 0.05 0.17 0.13 0.08 34149 46 0 0.68 28 2.60 3.76 2.95 1.000 17_0018 11 0.08 -0.03 0.03 0.25 0.20 0.06 50482 55 0 0.74 31 2.62 3.77 2.96 1.000 18_0019 5 0.01 -0.15 0.08 0.08 0.17 0.08 26825 44 0 0.80 38 2.61 3.79 2.95 1.000 19_0020 4 0.09 -0.19 -0.01 0.41 0.33 0.11 80267 72 0 0.81 28 2.64 3.80 2.96 1.000 Background pixels updated = 92.87% Port, connections: 2000, 1 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20_0021 9 0.06 -0.08 0.06 0.24 0.10 0.08 56109 59 0 0.73 30 2.68 3.87 2.97 1.000 21_0022 11 0.06 -0.10 0.02 0.31 0.11 0.08 80988 74 0 0.74 28 2.68 3.89 2.99 1.000 22_0023 10 0.01 -0.11 0.01 0.13 0.13 0.06 57244 67 0 0.77 26 2.67 3.90 2.99 1.000 23_0024 12 0.15 -0.09 0.02 0.52 0.24 0.10 51979 50 0 0.76 28 2.63 3.91 3.00 1.000 24_0025 6 -0.04 -0.18 -0.03 0.10 0.29 0.08 84193 67 0 0.87 27 2.61 3.90 3.02 1.000 25_0026 5 0.33 0.13 0.00 0.73 0.50 0.10 30191 32 0 0.74 27 2.61 3.91 3.02 1.000 26_0027 9 0.05 -0.13 0.06 0.13 0.17 0.08 96241 67 0 0.74 30 2.61 3.95 3.01 1.000 27_0028 9 0.13 -0.07 0.02 0.78 0.15 0.09 13219 27 0 0.74 25 2.61 3.95 3.02 1.000 28_0029 13 0.05 -0.16 -0.03 0.22 0.28 0.11 47153 60 0 0.79 32 2.63 3.98 3.01 1.000 I/Sigma = 62.15 Thresh = 0.020 Blend = F #Contributing = 53 InitialProfileWt = 0.046 Region 1 Sum = 25139.7; Maximum = 1108.61; FM = 0.879 !Region 1: Section 1->3 0 0 1 0 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 1 3 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 1 4 8 5 1 1 0 0 0 1 4 10 8 2 1 1 0 0 1 2 2 1 0 0 0 0 0 1 6 11 8 2 1 1 0 0 1 6 15 16 6 2 1 0 0 0 1 2 1 0 0 0 0 0 1 5 10 10 3 1 1 0 0 1 5 18 29 13 3 1 1 0 0 1 1 1 0 0 0 0 0 1 3 7 8 3 1 1 1 0 1 3 16 32 17 4 1 1 0 0 0 1 0 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 1 7 13 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 1: Section 4->6 0 1 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 1 5 6 4 1 1 0 0 0 1 2 4 5 2 1 1 0 0 0 1 1 3 2 1 0 0 0 2 9 17 14 4 1 0 0 0 1 4 12 19 8 2 0 0 0 0 1 4 10 6 1 0 0 0 3 16 45 41 13 2 1 0 0 1 8 37 60 29 5 1 0 0 1 2 12 34 26 5 1 0 0 2 18 65 62 20 3 1 0 0 1 11 62100 52 8 1 0 0 1 3 22 63 51 11 2 0 0 1 8 31 31 11 2 1 0 0 1 6 33 56 30 6 1 0 0 1 2 13 39 34 10 2 0 0 1 2 5 6 3 1 1 0 0 1 2 6 12 9 3 1 0 0 0 1 3 10 11 5 2 0 0 0 1 1 2 1 1 0 0 0 0 1 1 3 3 1 0 0 0 0 1 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 !Region 1: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 11 4 1 0 0 0 1 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 17 24 10 3 0 0 0 1 1 2 6 5 2 0 0 0 0 0 0 1 1 1 0 0 0 1 3 12 20 12 4 1 0 0 1 1 2 7 7 3 1 0 0 0 0 0 1 1 1 0 0 0 1 1 4 9 8 3 1 0 1 1 1 1 5 6 3 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 3 4 2 0 0 0 0 1 1 2 3 2 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 1 1 0 0 0 0 0 0 0 0 0 0 I/Sigma = 265.40 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.035 Region 2 Sum = 307118; Maximum = 28240.4; FM = 0.802 !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 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 1 2 1 0 0 0 0 0 0 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 0 1 9 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 10 25 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 5 2 0 0 0 0 0 0 2 5 2 0 0 0 0 0 0 1 3 1 0 0 0 0 0 1 18 41 11 0 0 0 0 0 1 19 46 13 1 0 0 0 0 1 11 26 8 1 0 0 0 0 1 27 75 28 1 0 0 0 0 2 38100 37 2 0 0 0 0 1 27 67 24 2 0 0 0 0 0 7 24 8 1 0 0 0 0 0 10 36 14 2 0 0 0 0 0 8 28 12 2 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 3 8 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 10 23 9 1 0 0 0 0 0 2 5 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 4 13 6 1 0 0 0 0 0 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 170.61 Thresh = 0.020 Blend = F #Contributing = 32 InitialProfileWt = 0.069 Region 3 Sum = 134889; Maximum = 11169.7; FM = 0.83 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 2 5 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 3 9 13 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 2 10 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 3 7 10 4 1 0 0 0 0 2 6 8 3 1 0 0 0 0 0 3 4 1 0 0 0 0 0 7 27 26 7 2 0 0 0 1 9 44 34 8 2 0 0 0 0 6 27 18 3 0 0 0 0 1 15 49 27 4 0 0 0 0 2 36100 42 4 0 0 0 0 3 28 63 23 2 0 0 0 0 1 12 24 7 1 0 0 0 1 4 29 53 13 1 0 0 0 1 5 24 36 10 1 0 0 0 0 0 2 3 1 0 0 0 0 0 1 6 8 2 0 0 0 0 1 2 7 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 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 0 0 0 0 0 0 0 0 1 7 7 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 9 8 3 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 6 2 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 42.67 Thresh = 0.020 Blend = F #Contributing = 13 InitialProfileWt = 0.201 Region 4 Sum = 14144.9; Maximum = 508.283; FM = 0.715 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 4 8 3 1 0 0 0 0 1 1 0 0 1 1 0 0 0 2 3 3 2 1 1 1 0 0 4 13 27 14 2 1 1 0 0 0 1 0 1 1 0 0 0 0 1 4 5 4 1 1 0 0 1 5 25 52 31 5 1 1 0 0 0 1 1 1 0 0 0 0 0 1 3 6 4 1 0 1 0 0 2 22 61 40 6 2 1 0 0 0 0 1 1 1 1 0 0 0 0 1 3 2 1 1 0 0 0 1 6 27 23 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 0 1 2 4 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 !Region 4: Section 4->6 0 1 5 10 4 1 0 1 0 0 0 2 3 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 3 16 36 18 2 1 1 0 0 2 5 12 7 2 1 1 0 0 1 1 1 2 1 1 1 1 1 5 32 70 42 6 1 1 0 1 2 11 25 18 4 1 1 0 1 1 2 4 7 4 1 1 1 1 3 30 88 60 10 2 1 0 0 2 12 38 41 14 2 1 0 0 1 3 10 28 17 3 2 1 0 2 9 43 42 11 3 1 0 0 1 5 29 66 40 5 1 0 0 1 3 17 82 66 8 2 1 0 1 2 6 12 6 2 1 0 0 1 2 11 55 53 9 2 1 1 2 1 13 89100 19 3 1 0 1 2 2 3 2 2 0 0 0 1 1 3 22 28 8 2 0 0 1 1 5 38 53 16 3 1 0 0 1 1 2 1 1 0 0 0 1 1 2 6 9 3 1 0 0 1 1 2 11 17 7 2 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 2 1 0 0 0 1 1 1 3 4 2 0 0 !Region 4: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 9 7 1 1 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 6 31 28 4 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 1 5 35 45 10 2 0 0 0 0 1 1 2 2 1 0 0 0 0 1 0 1 1 0 0 0 1 1 2 16 24 10 3 1 0 1 0 0 1 3 3 2 1 0 1 0 0 0 1 1 0 0 0 1 1 2 6 9 5 2 1 0 0 1 1 2 2 3 2 1 0 0 1 1 1 1 1 1 0 0 0 0 1 2 3 1 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 43.38 Thresh = 0.020 Blend = F #Contributing = 2 InitialProfileWt = 0.875 Region 5 Sum = 1288.31; Maximum = 55.2466; FM = 0.804 !Region 5: Section 1->3 0 0 0 0 -1 -1 0 1 0 1 3 2 -1 -1 -1 0 0 0 1 4 5 -1 0 0 0 -1 0 1 2 1 -1 -1 0 -1 0 0 6 10 8 1 0 1 -1 0 0 6 14 16 7 1 2 -1 -1 -1 2 2 2 0 -1 0 0 -1 -1 4 9 14 4 0 1 0 -1 -1 4 10 27 15 3 3 0 0 0 0 2 2 0 0 0 0 0 -1 0 6 14 9 4 2 1 0 -1 0 6 21 24 12 3 1 -1 -1 0 0 1 0 -1 -1 0 -1 0 0 2 4 4 2 0 1 -2 -1 0 3 6 10 8 2 1 -1 -1 0 -1 0 1 0 0 1 -1 0 -1 -2 0 2 0 1 0 -1 0 0 -1 -1 2 0 1 -1 0 0 0 -2 -1 0 0 0 -1 -2 0 -1 -2 -1 0 0 0 -1 -2 0 -1 -1 -1 1 0 0 0 0 0 0 -1 0 0 -1 -1 -1 0 0 -1 -2 0 0 -1 -1 -1 0 0 -1 -2 -1 0 0 -1 1 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 -1 -1 0 0 !Region 5: Section 4->6 0 2 5 0 1 1 0 -1 0 0 1 2 2 2 1 0 0 0 0 0 1 3 2 1 0 0 0 1 8 14 9 4 3 0 0 -1 0 3 7 9 9 6 2 1 1 0 2 2 6 7 5 1 2 2 1 4 21 21 12 7 1 1 1 2 2 11 20 25 14 3 3 1 0 1 5 11 15 7 2 2 1 0 2 14 31 33 16 2 0 0 1 2 9 36 66 41 7 1 1 1 2 5 19 40 27 5 0 0 0 2 5 23 40 24 7 2 0 1 2 7 43100 74 22 6 2 0 2 4 25 66 57 16 4 1 0 0 0 6 18 14 5 2 0 1 2 4 15 55 52 21 5 1 0 1 3 9 41 49 21 4 0 0 0 -1 2 4 4 3 1 0 1 1 1 2 14 20 11 4 1 1 0 0 1 11 21 13 4 1 0 -1 -1 1 1 1 2 0 0 1 1 1 2 3 4 6 2 1 1 0 1 0 3 4 6 2 1 0 0 0 0 -1 0 0 0 0 1 1 2 1 0 1 3 1 0 1 1 1 1 1 1 3 1 0 !Region 5: Section 7->9 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 1 1 2 1 1 0 0 1 2 1 1 2 1 0 0 -1 0 1 0 0 1 1 2 0 0 2 2 1 2 2 1 2 0 -1 1 1 2 5 3 1 1 0 0 1 0 1 2 1 0 1 1 1 1 4 4 2 2 0 1 1 0 0 1 1 3 3 1 1 0 0 0 0 0 1 1 0 0 0 1 2 8 10 4 2 0 1 0 1 1 1 2 3 4 0 0 0 1 0 0 1 1 2 0 0 1 1 0 7 12 10 4 0 0 1 1 -1 1 2 8 6 1 0 0 0 0 0 1 3 2 0 0 1 0 0 2 7 8 5 1 0 2 1 0 1 3 7 6 1 0 1 1 0 1 1 3 2 0 1 0 2 2 2 2 4 3 1 1 1 4 4 2 1 5 5 1 0 1 2 2 1 0 2 2 0 1 0 1 1 0 0 1 1 0 0 0 2 1 0 -1 1 1 0 0 0 1 0 0 -1 0 0 0 I/Sigma = 20.60 Thresh = 0.020 Blend = F #Contributing = 3 InitialProfileWt = 0.670 Region 6 Sum = 2941.78; Maximum = 120.584; FM = 0.625 !Region 6: Section 1->3 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 -1 0 1 1 1 1 0 -1 -1 -1 0 2 4 2 1 0 0 0 0 0 4 12 8 3 0 1 2 1 0 1 1 1 0 1 1 0 0 0 3 7 7 3 1 1 1 0 0 6 22 28 15 4 3 2 2 0 0 1 0 1 2 2 0 0 1 2 9 14 11 4 2 0 0 1 6 29 56 44 15 3 0 0 1 0 0 0 0 1 0 0 0 0 1 6 14 13 3 1 1 0 0 2 21 54 57 16 3 2 1 0 0 0 1 0 0 -1 0 0 0 0 1 4 3 1 0 0 0 0 0 4 13 16 5 3 1 0 0 0 -1 0 -1 0 0 1 0 0 0 -1 0 0 0 0 1 0 0 -1 -1 1 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 -1 -2 -1 0 1 1 1 -1 -1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 -1 -1 0 0 0 1 0 -1 0 !Region 6: Section 4->6 1 2 3 0 0 0 0 -1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 3 11 9 4 1 1 2 0 0 0 2 2 3 2 2 1 1 1 0 0 0 4 4 3 1 1 1 5 17 25 14 5 3 2 2 0 1 2 6 5 7 6 2 1 0 0 0 1 4 10 10 4 1 0 4 22 47 40 16 4 0 0 0 1 3 10 12 25 29 9 1 0 0 1 3 6 36 54 18 2 0 1 16 45 53 18 4 2 0 0 0 3 10 17 42 50 21 2 0 0 2 5 11 66100 46 6 0 0 3 12 15 6 3 1 1 0 0 0 3 6 16 23 13 4 0 -1 0 2 6 27 47 30 9 1 0 0 1 2 1 2 1 0 0 0 0 0 2 3 7 6 3 0 0 1 0 2 5 14 13 6 1 0 -1 -1 0 1 1 0 0 -1 0 0 1 1 2 3 2 0 0 0 2 2 1 3 6 4 1 0 0 -1 0 0 1 1 0 -1 0 0 0 0 1 1 1 1 0 0 -1 1 1 2 3 2 1 1 1 !Region 6: Section 7->9 0 0 0 0 0 0 0 0 0 -1 0 0 1 1 1 1 0 0 -1 0 0 1 2 2 1 0 0 0 0 0 2 2 1 1 1 1 0 -1 1 3 1 1 2 2 1 0 -1 1 3 2 2 2 2 1 0 0 1 2 5 4 2 1 0 1 1 2 1 1 0 2 1 0 2 1 2 2 1 -1 2 1 0 0 1 1 2 14 25 9 2 0 0 0 1 1 1 2 1 1 0 0 0 0 1 2 2 1 1 0 0 1 2 4 27 49 24 4 0 0 0 1 1 1 2 3 2 1 0 0 1 1 0 0 2 2 2 0 0 1 3 12 25 17 6 1 1 0 1 2 0 2 1 2 0 1 0 1 0 0 0 0 2 0 0 1 0 1 3 8 7 4 1 0 0 1 1 1 2 2 0 0 0 0 1 1 1 2 1 0 -1 0 1 1 0 2 3 2 1 0 0 0 1 1 1 1 1 0 0 0 0 2 1 1 1 0 0 0 -1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 1 1 1 1 1 0 0 0 I/Sigma = 39.18 Thresh = 0.020 Blend = F #Contributing = 10 InitialProfileWt = 0.344 Region 7 Sum = 9179.54; Maximum = 335.968; FM = 0.828 !Region 7: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 2 2 2 1 1 0 0 0 1 3 4 2 2 1 1 0 0 0 1 1 1 1 1 0 -1 0 2 6 6 4 2 1 0 0 0 3 11 12 7 4 2 1 0 0 1 2 1 1 1 0 0 0 0 4 11 12 7 2 1 1 1 0 6 23 32 24 8 3 2 1 0 0 2 2 1 1 0 1 0 0 3 12 17 11 3 2 1 1 0 5 25 51 40 12 4 2 2 1 0 1 1 1 1 0 1 0 0 1 6 9 6 2 1 1 1 1 1 13 23 18 6 3 1 1 1 0 1 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 2 3 3 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Region 7: Section 4->6 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 2 3 2 3 3 1 0 0 0 0 1 3 5 5 2 0 0 0 1 1 2 3 3 2 1 0 2 7 9 9 8 5 2 0 0 0 2 3 9 16 12 4 1 1 0 1 1 5 12 12 4 1 0 3 16 32 43 34 16 4 2 1 1 4 15 45 73 51 13 2 1 0 1 4 21 58 60 18 3 1 3 19 56 74 48 20 4 1 1 1 6 27 80100 63 15 3 1 0 2 7 38 79 73 22 5 1 1 9 23 28 17 6 2 1 1 0 3 10 31 35 20 6 2 1 0 1 3 16 28 24 10 3 1 1 2 3 4 3 2 1 1 0 1 1 2 5 8 5 2 1 0 0 1 1 3 7 6 3 1 0 0 0 1 2 1 1 1 1 0 0 0 1 1 2 2 2 2 0 0 1 0 1 2 2 1 2 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 0 1 0 1 0 !Region 7: Section 7->9 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 5 3 1 0 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 1 1 0 0 1 1 3 14 24 12 4 1 0 0 1 1 2 4 6 3 1 0 0 0 0 0 1 2 1 0 0 1 2 5 19 28 16 6 2 0 0 1 2 2 4 8 5 2 0 0 0 0 0 1 2 2 1 0 0 0 2 7 10 7 3 1 0 0 0 1 1 2 3 3 1 0 0 0 0 0 0 1 1 0 1 1 0 1 1 3 3 2 0 1 1 1 1 0 1 2 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 0 1 1 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 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 67.06 Thresh = 0.020 Blend = F #Contributing = 11 InitialProfileWt = 0.301 Region 8 Sum = 21983.9; Maximum = 875.006; FM = 0.818 !Region 8: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 3 2 1 1 1 1 0 0 1 2 8 9 4 1 1 0 0 1 3 2 1 1 0 0 0 0 2 7 6 2 1 1 1 0 0 1 6 16 22 9 2 1 1 0 1 3 3 1 1 1 0 0 0 2 9 8 3 2 1 0 0 0 1 8 23 44 22 3 1 1 0 0 1 1 1 0 0 0 0 0 1 5 6 3 1 1 1 1 0 1 5 20 43 17 2 1 0 0 0 1 1 0 0 0 0 0 0 0 2 2 1 1 0 0 0 0 0 2 7 12 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 8: Section 4->6 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 3 5 3 1 1 1 0 0 1 1 3 4 3 1 1 0 0 1 0 2 6 4 1 1 0 0 2 12 18 10 3 1 1 0 0 1 5 11 15 9 2 1 0 0 1 1 4 19 16 3 1 0 0 3 23 47 31 9 2 1 0 0 1 11 34 55 30 4 1 0 0 0 2 13 68 57 9 1 0 0 4 33100 64 11 2 0 0 0 2 17 75 85 32 4 1 0 0 1 3 23 77 56 10 1 0 0 3 30 91 42 5 1 1 0 0 1 15 59 40 12 3 1 0 0 1 3 12 26 22 6 1 0 0 1 10 22 9 2 1 0 0 0 1 5 13 8 4 2 1 0 0 0 1 2 5 8 3 1 0 0 0 2 4 3 1 0 1 0 0 0 1 2 2 2 1 1 0 0 0 0 1 2 4 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 !Region 8: Section 7->9 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 2 2 1 0 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 9 10 3 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 1 1 0 0 0 1 4 32 34 8 2 1 0 0 0 1 3 5 4 2 1 0 0 0 0 0 1 1 1 0 0 0 1 5 33 33 10 2 1 0 0 1 1 2 5 4 3 1 0 0 0 0 0 1 1 1 0 0 0 1 2 10 13 6 2 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 1 3 5 3 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 175.91 Thresh = 0.020 Blend = F #Contributing = 31 InitialProfileWt = 0.069 Region 9 Sum = 172413; Maximum = 17457.8; FM = 0.8 !Region 9: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 5 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 8 15 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 2 1 0 0 0 0 0 1 4 4 1 0 0 0 0 0 0 3 4 1 0 0 0 0 0 2 15 27 7 0 0 0 0 0 2 22 41 9 0 0 0 0 0 1 15 29 8 1 0 0 0 0 2 22 62 27 2 0 0 0 0 2 37100 36 2 0 0 0 0 1 28 67 22 2 0 0 0 0 1 9 24 11 2 0 0 0 0 1 10 35 15 2 0 0 0 0 0 7 24 10 2 0 0 0 0 0 2 3 2 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 9 4 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 15 7 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ................ Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (204 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) 204 0 204 8.6911 0.8923 10.178 119.533 Orientation ('UB') matrix: 0.1438725 0.0358894 -0.0038764 0.0303134 -0.0026499 0.0772443 0.0659414 -0.0770862 -0.0044601 A B C Alpha Beta Gamma Vol 6.2504 11.7547 13.0011 90.000 96.854 90.000 948.38 0.0004 0.0008 0.0020 0.000 0.007 0.000 0.24 Corrected for goodness of fit: 0.0009 0.0019 0.0046 0.000 0.017 0.000 0.57 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.127 96.152 24.304 Goniometer zeros (deg): 0.0000* 0.0262 0.0000* -0.0741 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1558 -0.7005 0.0711 -0.2925 -0.2676 0.8169 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 4.12971e+03 3.23742e+03 2.33 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 204 204 202 Average input ESD (pix, pix, deg): 0.22515 0.19095 0.05493 Goodness of fit: 3.01020 2.20564 1.40099 Old XYZ spot size: 2.115 2.450 2.373 New XYZ spot size: 2.115 2.484 2.338 Average missing volume: 0.037 % with too much missing I: 3.630 Fractional overlap in H,K,L: 0.000 0.000 0.000 Integration ============================= 10/26/2021 10:24:59 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): 2.115 2.484 2.338 Spot size used (deg): 2.115 2.484 2.338 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): 0.296 0.287 0.333 Profile convolver halfwidth: 1.00 1.00 1.76 Background pixels updated = 92.46% 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 15 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 17 0.00 0.00 0.00 1.000 2_0003 2 0.31 -0.15 0.15 0.92 0.27 0.16 5546.2 14 0 0.79 26 1.22 1.49 2.08 1.000 3_0004 9 0.07 0.04 -0.05 0.16 0.07 0.06 89418 89 0 0.82 27 1.81 2.25 3.81 1.000 4_0005 9 0.02 0.04 0.00 0.15 0.08 0.07 92329 91 0 0.79 30 1.77 2.38 3.93 1.000 5_0006 10 0.11 0.00 0.01 0.32 0.07 0.05 31633 52 0 0.81 26 1.74 2.23 3.62 1.000 6_0007 9 0.16 -0.16 -0.10 0.52 0.37 0.20 51808 71 0 0.86 33 1.73 2.31 3.59 1.000 7_0008 11 0.01 0.05 0.01 0.30 0.19 0.09 60485 61 9 0.67 25 1.84 2.46 3.77 1.000 8_0009 7 0.06 0.06 -0.03 0.12 0.12 0.06 52009 66 14 0.76 28 1.92 2.57 3.82 1.000 9_0010 8 -0.03 -0.00 0.00 0.12 0.12 0.06 72754 105 0 0.82 31 1.91 2.60 3.89 1.000 10_0011 12 -0.01 -0.02 0.03 0.13 0.10 0.07 45560 62 0 0.75 27 1.97 2.59 3.88 1.000 11_0012 7 -0.17 -0.01 0.07 0.33 0.11 0.12 47813 76 0 0.77 31 1.93 2.56 3.83 1.000 12_0013 8 0.15 0.27 0.02 0.75 0.65 0.13 65666 94 0 0.83 36 2.00 2.60 3.80 1.000 13_0014 8 0.00 -0.00 -0.01 0.07 0.05 0.04 34563 48 0 0.82 27 1.97 2.59 3.80 1.000 14_0015 8 -0.01 -0.00 0.01 0.13 0.10 0.04 45847 69 0 0.75 28 1.95 2.58 3.82 1.000 15_0016 13 -0.01 0.02 0.13 0.26 0.19 0.39 55396 60 0 0.76 26 1.97 2.56 3.79 1.000 16_0017 8 -0.02 -0.02 0.03 0.10 0.04 0.04 39948 51 0 0.69 28 1.94 2.54 3.80 1.000 17_0018 11 0.04 -0.07 -0.01 0.21 0.19 0.07 35532 55 0 0.77 31 1.96 2.56 3.80 1.000 18_0019 5 0.11 0.00 0.03 0.18 0.13 0.05 17552 39 0 0.84 38 1.95 2.56 3.77 1.000 19_0020 5 -0.05 -0.02 0.03 0.09 0.08 0.03 80902 66 0 0.79 27 1.97 2.57 3.77 1.000 Background pixels updated = 93.17% 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 7 -0.00 -0.03 0.03 0.08 0.07 0.07 54889 69 0 0.77 30 1.95 2.59 3.78 1.000 21_0022 12 0.18 -0.04 -0.00 0.40 0.08 0.07 59248 73 0 0.77 28 1.99 2.61 3.77 1.000 22_0023 11 -0.07 -0.03 0.01 0.22 0.09 0.08 46418 63 0 0.76 27 1.98 2.61 3.78 1.000 23_0024 13 0.28 -0.15 -0.00 0.76 0.81 0.14 51040 48 0 0.77 27 1.96 2.62 3.76 1.000 24_0025 6 -0.01 -0.15 -0.02 0.08 0.29 0.09 65305 68 0 0.87 27 1.94 2.62 3.75 1.000 25_0026 5 0.44 0.18 -0.03 0.87 0.61 0.11 26416 33 0 0.73 27 1.94 2.62 3.76 1.000 26_0027 8 0.06 -0.09 0.03 0.12 0.14 0.05 70135 73 0 0.78 30 1.94 2.65 3.77 1.000 27_0028 10 0.22 -0.04 -0.00 0.82 0.15 0.10 13241 27 0 0.73 25 1.94 2.64 3.74 1.000 28_0029 13 0.11 -0.14 -0.04 0.24 0.29 0.11 34181 61 0 0.80 31 1.96 2.67 3.72 1.000 29_0030 11 0.37 -0.04 0.08 1.27 0.29 0.14 93953 95 0 0.75 27 1.97 2.66 3.72 1.000 30_0031 8 -0.03 -0.18 0.04 0.31 0.35 0.09 38685 48 0 0.73 28 1.96 2.68 3.73 1.000 31_0032 9 0.13 -0.04 0.03 0.22 0.10 0.06 90136 88 0 0.75 27 1.96 2.69 3.75 1.000 32_0033 5 0.04 -0.05 0.02 0.13 0.09 0.10 38515 73 0 0.80 34 1.96 2.70 3.74 1.000 33_0034 10 0.04 -0.10 0.04 0.17 0.11 0.05 32387 51 0 0.67 27 1.96 2.72 3.74 1.000 34_0035 12 0.29 -0.09 0.11 1.18 0.38 0.25 25325 44 8 0.76 27 1.98 2.75 3.71 1.000 35_0036 10 0.02 0.05 0.02 0.33 0.29 0.15 23502 33 0 0.77 29 1.98 2.75 3.70 1.000 36_0037 6 0.26 0.00 0.01 0.61 0.14 0.10 44950 50 0 0.81 28 1.98 2.76 3.71 1.000 37_0038 11 0.27 -0.06 0.02 0.48 0.30 0.13 31601 39 9 0.70 28 1.95 2.78 3.70 1.000 38_0039 13 0.03 -0.08 0.00 0.28 0.18 0.10 65280 77 8 0.74 27 1.95 2.79 3.71 1.000 39_0040 4 -0.01 0.02 0.03 0.07 0.09 0.16 45690 65 0 0.82 32 1.95 2.80 3.72 1.000 Background pixels updated = 93.41% 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 11 0.24 0.01 0.03 1.13 0.25 0.09 20300 35 0 0.75 27 1.95 2.81 3.73 1.000 41_0042 9 -0.03 0.12 0.02 0.31 0.20 0.15 56938 85 0 0.80 30 1.96 2.81 3.72 1.000 42_0043 8 0.03 0.04 0.00 0.32 0.07 0.06 49963 62 0 0.77 28 1.96 2.82 3.71 1.000 43_0044 11 0.49 -0.12 -0.04 1.64 0.64 0.21 55320 67 9 0.76 28 1.96 2.83 3.71 1.000 44_0045 13 0.14 0.08 0.00 0.24 0.25 0.21 60998 65 0 0.70 29 1.97 2.85 3.71 1.000 45_0046 8 0.16 0.14 -0.08 0.32 0.27 0.11 42311 52 13 0.72 30 1.97 2.86 3.71 1.000 46_0047 7 0.18 0.09 -0.08 0.44 0.41 0.13 81689 90 0 0.78 30 1.96 2.88 3.71 1.000 47_0048 7 0.12 0.17 -0.06 0.15 0.20 0.07 30763 50 0 0.73 26 1.95 2.88 3.70 1.000 48_0049 10 0.19 0.42 -0.00 0.66 0.73 0.14 34605 50 0 0.81 27 1.95 2.88 3.69 1.000 49_0050 11 0.19 0.22 -0.07 0.59 0.25 0.22 35936 47 9 0.73 25 1.95 2.90 3.68 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 (377 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) 377 0 377 12.9239 0.8798 6.840 122.388 Orientation ('UB') matrix: 0.1438530 0.0358858 -0.0039096 0.0301862 -0.0026417 0.0771481 0.0659424 -0.0770754 -0.0044645 A B C Alpha Beta Gamma Vol 6.2511 11.7563 13.0150 90.000 96.782 90.000 949.76 0.0003 0.0006 0.0009 0.000 0.004 0.000 0.14 Corrected for goodness of fit: 0.0009 0.0018 0.0027 0.000 0.013 0.000 0.43 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Eulerian angles (deg): 9.089 96.130 24.310 Goniometer zeros (deg): 0.0000* 0.0558 0.0000* -0.1023 (*=never refined) Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -4.1547 -0.6606 0.0702 -0.2280 -0.2591 0.8665 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 1.15649e+04 1.04217e+04 3.06 5 4 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 377 377 375 Average input ESD (pix, pix, deg): 0.25370 0.20331 0.08340 Goodness of fit: 3.46645 3.43355 1.96435 Background pixels updated = 92.94% Port, connections: 2000, 1 Integration of neal054 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50_0051 8 -0.14 0.17 0.01 0.50 0.19 0.07 39142 50 13 0.73 27 1.95 2.90 3.69 1.000 51_0052 10 0.07 0.24 -0.05 0.23 0.29 0.08 52397 67 0 0.80 31 1.95 2.91 3.68 1.000 52_0053 12 0.09 0.20 -0.02 0.76 0.80 0.12 30887 40 0 0.78 29 1.96 2.93 3.66 1.000 53_0054 8 0.03 0.27 -0.02 0.17 0.29 0.04 72883 70 0 0.75 28 1.95 2.94 3.65 1.000 54_0055 9 0.09 0.15 -0.07 0.13 0.20 0.11 79703 103 0 0.80 26 1.94 2.94 3.67 1.000 55_0056 10 0.12 0.42 -0.18 0.79 0.60 0.41 47521 59 0 0.83 30 1.94 2.95 3.66 1.000 56_0057 9 0.11 0.15 -0.06 0.22 0.26 0.08 53204 60 0 0.77 27 1.95 2.96 3.66 1.000 57_0058 8 0.40 0.47 -0.11 1.20 0.66 0.23 28630 34 0 0.73 27 1.96 2.98 3.65 1.000 58_0059 10 0.05 0.52 -0.10 0.19 1.04 0.20 50089 61 0 0.79 30 1.96 2.99 3.65 1.000 59_0060 14 0.62 -0.09 -0.21 2.05 1.15 0.57 63207 66 0 0.81 30 1.96 3.02 3.65 1.000 Background pixels updated = 92.80% 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 9 0.15 0.29 -0.07 0.25 0.32 0.08 67194 70 0 0.79 27 1.96 3.04 3.65 1.000 61_0062 6 0.13 0.19 -0.07 0.17 0.27 0.07 70527 107 0 0.85 29 1.96 3.03 3.66 1.000 62_0063 8 -0.09 0.21 0.03 0.23 0.33 0.09 23645 37 0 0.81 29 1.96 3.04 3.65 1.000 63_0064 12 0.11 0.27 -0.01 0.25 0.29 0.10 57402 70 0 0.78 27 1.96 3.05 3.65 1.000 64_0065 11 0.08 0.25 -0.06 0.31 0.31 0.15 72698 64 0 0.77 26 1.96 3.06 3.65 1.000 65_0066 9 0.09 0.19 -0.08 0.20 0.27 0.26 21840 32 11 0.66 28 1.96 3.06 3.64 1.000 66_0067 8 0.24 0.33 -0.05 0.36 0.37 0.06 22371 36 0 0.77 26 1.97 3.08 3.64 1.000 67_0068 9 0.74 -0.08 -0.07 1.82 0.51 0.19 43307 44 11 0.71 28 1.97 3.08 3.63 1.000 68_0069 6 0.72 0.62 -0.11 1.54 1.04 0.13 48436 53 0 0.79 24 1.97 3.09 3.63 1.000 69_0070 8 0.14 0.28 -0.03 0.20 0.32 0.07 31169 39 0 0.81 27 1.97 3.10 3.63 1.000 70_0071 6 0.14 0.10 -0.03 0.37 0.24 0.08 13972 25 17 0.71 23 1.97 3.10 3.62 1.000 71_0072 7 0.18 0.29 -0.19 0.22 0.31 0.31 74596 79 0 0.79 27 1.97 3.10 3.62 1.000 72_0073 10 0.11 0.22 -0.02 0.22 0.30 0.09 37759 43 0 0.77 27 1.97 3.10 3.62 1.000 73_0074 12 0.48 0.61 -0.08 0.72 0.85 0.13 48510 54 8 0.77 27 1.97 3.12 3.62 1.000 74_0075 7 0.48 0.22 -0.11 0.97 0.30 0.19 63551 71 0 0.78 28 1.98 3.13 3.62 1.000 75_0076 4 0.13 0.32 -0.04 0.15 0.33 0.06 49329 53 0 0.73 32 1.98 3.13 3.62 1.000 76_0077 10 0.36 0.24 0.02 1.06 0.32 0.12 34597 46 0 0.81 29 1.99 3.14 3.62 1.000 77_0078 12 0.28 0.30 -0.03 0.68 0.40 0.16 53648 65 0 0.82 27 1.99 3.15 3.63 1.000 78_0079 10 0.15 0.25 -0.05 0.25 0.29 0.11 69965 71 0 0.80 26 1.99 3.16 3.63 1.000 79_0080 4 0.10 0.27 -0.00 0.11 0.30 0.03 138522 118 0 0.77 25 1.99 3.16 3.63 1.000 Background pixels updated = 92.60% 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 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 17 1.99 3.16 3.63 1.000 81_0082 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 18 1.99 3.16 3.63 1.000 Requested number of frames processed: /smb/isengard/data/neal054/neal054_13_0082.sfrm I/Sigma = 84.69 Thresh = 0.020 Blend = F #Contributing = 212 InitialProfileWt = 0.000 Region 1 Sum = 38335.2; Maximum = 1225.69; FM = 0.791 !Region 1: Section 1->3 0 1 1 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 4 5 2 0 0 0 0 0 1 2 1 0 0 0 0 0 1 3 6 5 1 1 0 0 0 1 3 9 12 5 1 0 0 0 0 1 1 1 0 0 0 0 0 1 3 6 4 2 1 0 0 0 1 3 11 16 7 1 1 0 0 0 1 1 1 0 0 0 0 0 1 3 5 4 1 1 1 0 0 0 3 13 23 9 2 1 1 0 0 1 1 1 0 0 0 0 0 0 2 5 6 2 1 1 1 0 0 3 17 44 19 3 1 1 0 0 1 1 0 0 0 0 0 0 0 2 5 7 2 1 1 1 0 0 3 18 51 25 3 1 1 0 0 1 1 0 0 0 0 0 0 0 1 3 3 1 1 1 0 0 0 2 8 18 9 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 1: Section 4->6 0 1 2 6 3 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 17 9 2 1 0 0 0 1 3 10 8 3 1 0 0 0 0 1 3 5 3 1 0 0 0 2 11 26 14 3 1 0 0 0 1 4 15 14 5 1 0 0 0 0 1 5 10 6 2 0 0 0 2 15 44 23 4 1 1 0 0 1 7 30 29 11 2 1 0 0 1 2 12 31 20 4 1 0 0 2 24 90 52 10 2 1 0 0 1 12 60 65 29 5 1 0 0 1 3 21 67 51 10 1 0 0 2 25100 67 13 2 1 0 0 1 11 64 81 39 7 1 0 0 1 3 20 74 68 15 2 0 0 1 10 34 25 7 1 1 0 0 1 4 23 34 21 5 1 0 0 1 1 8 35 42 13 2 0 0 1 3 7 6 3 1 0 0 0 1 2 6 11 9 3 1 0 0 0 1 3 13 20 8 2 0 0 0 1 2 2 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 4 7 3 1 0 !Region 1: 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 1 2 2 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 5 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 4 19 15 4 1 0 0 0 0 1 4 4 2 1 0 0 0 0 0 0 1 1 0 0 0 1 1 8 42 38 9 2 0 0 0 1 2 9 10 4 2 0 0 0 0 0 1 1 1 1 0 0 1 1 6 44 52 15 3 1 0 0 1 2 10 14 8 3 1 0 0 0 0 0 1 2 1 0 0 0 1 3 22 37 15 3 1 0 0 1 1 6 12 8 3 1 0 0 0 0 0 1 2 1 0 0 0 1 2 9 20 11 3 1 0 0 0 1 3 7 7 4 1 0 0 0 0 0 1 2 2 0 0 0 0 1 4 7 4 1 0 0 0 0 0 1 3 3 2 0 0 0 0 0 0 0 1 1 0 I/Sigma = 295.06 Thresh = 0.020 Blend = F #Contributing = 183 InitialProfileWt = 0.000 Region 2 Sum = 342052; Maximum = 23094.7; FM = 0.828 !Region 2: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 1 5 5 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 6 6 1 0 0 0 0 0 1 13 16 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 6 1 0 0 0 0 0 1 15 29 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 0 1 8 17 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 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 4->6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 6 8 2 0 0 0 0 0 0 5 7 2 0 0 0 0 0 0 2 3 1 0 0 0 0 0 2 24 37 7 0 0 0 0 0 2 25 42 8 0 0 0 0 0 1 11 25 6 0 0 0 0 0 2 41 86 22 1 0 0 0 0 2 46100 29 1 0 0 0 0 1 25 61 21 1 0 0 0 0 1 21 54 16 1 0 0 0 0 1 23 64 22 1 0 0 0 0 1 14 42 21 2 0 0 0 0 1 4 8 3 0 0 0 0 0 0 4 10 4 0 0 0 0 0 0 3 9 7 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 2: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 13 5 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 11 35 17 2 0 0 0 0 0 2 10 7 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 7 28 22 3 0 0 0 0 0 2 9 9 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 8 9 2 0 0 0 0 0 1 3 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 142.07 Thresh = 0.020 Blend = F #Contributing = 121 InitialProfileWt = 0.000 Region 3 Sum = 116411; Maximum = 6701.19; FM = 0.828 !Region 3: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 1 4 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 2 13 23 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 4 12 14 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 2 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 3: Section 4->6 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 3 1 0 0 0 0 0 1 3 4 2 0 0 0 0 0 0 2 3 1 0 0 0 0 0 2 7 6 2 0 0 0 0 0 2 9 11 5 1 0 0 0 0 1 6 9 5 1 0 0 0 1 9 23 11 2 0 0 0 0 1 11 37 23 5 1 0 0 0 1 7 27 22 5 0 0 0 0 3 33 68 17 1 0 0 0 0 3 48100 27 2 0 0 0 0 2 34 74 23 2 0 0 0 1 7 35 53 9 1 0 0 0 1 8 60 90 17 1 0 0 0 1 6 47 71 15 1 0 0 0 3 6 12 12 3 0 0 0 0 2 7 22 27 6 1 0 0 0 1 5 18 25 7 1 0 0 1 2 3 4 2 1 0 0 0 0 1 3 7 6 1 0 0 0 0 1 2 5 7 2 0 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 1 0 0 0 !Region 3: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 9 3 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 22 9 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 13 23 7 1 0 0 0 0 0 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 11 5 1 0 0 0 0 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 2 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 I/Sigma = 62.79 Thresh = 0.020 Blend = F #Contributing = 48 InitialProfileWt = 0.005 Region 4 Sum = 28511.3; Maximum = 1449.67; FM = 0.81 !Region 4: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 4 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 4 7 4 1 1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 2 1 0 0 0 0 1 5 10 6 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 1 1 1 0 0 0 1 5 11 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 0 0 0 1 3 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 !Region 4: Section 4->6 0 0 1 3 3 1 0 0 0 0 0 1 3 5 2 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 9 8 3 1 0 0 0 1 2 10 13 5 1 0 0 0 0 1 4 7 4 1 0 0 0 1 5 13 13 4 1 0 0 0 1 3 14 19 7 2 0 0 0 0 1 6 10 5 1 0 0 0 1 6 24 23 7 1 0 0 0 1 4 29 37 13 2 1 0 0 1 2 12 19 9 2 1 0 0 1 6 34 39 12 2 0 0 0 1 6 49 74 27 4 1 0 0 1 2 21 40 20 3 1 0 0 1 3 25 46 18 2 1 0 0 1 4 43100 46 6 1 0 0 1 2 21 59 36 6 1 0 0 1 2 9 23 14 2 1 0 0 1 2 17 55 36 6 1 0 0 0 1 9 35 30 7 1 0 0 0 1 4 9 6 1 0 0 0 0 1 7 20 15 3 1 0 0 0 1 4 14 13 5 1 0 0 0 0 1 3 2 0 0 0 0 0 0 2 6 5 1 0 0 0 0 0 1 4 4 2 0 0 !Region 4: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 5 6 2 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 2 9 12 4 1 0 0 0 1 1 1 3 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 2 7 12 6 2 0 0 0 0 1 2 4 4 1 0 0 0 0 0 0 1 1 1 0 0 0 0 1 4 7 6 2 0 0 0 0 1 1 4 4 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 3 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 I/Sigma = 35.44 Thresh = 0.020 Blend = F #Contributing = 21 InitialProfileWt = 0.118 Region 5 Sum = 10039.2; Maximum = 351.507; FM = 0.84 !Region 5: Section 1->3 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 2 1 0 1 2 1 0 1 4 5 4 2 1 1 1 0 0 0 1 1 1 0 1 0 0 1 3 3 2 1 1 1 1 0 1 4 7 6 3 1 1 1 0 1 1 1 1 1 0 0 0 0 2 3 4 2 2 1 1 1 0 1 4 10 11 6 2 1 1 0 0 1 1 1 1 1 1 0 0 0 2 4 3 2 1 1 0 0 0 3 11 19 12 4 1 1 0 0 1 1 1 1 1 0 0 0 1 2 4 2 2 1 0 1 0 0 2 7 14 12 5 1 1 0 0 0 1 0 1 1 0 0 0 0 1 1 1 2 1 1 0 0 0 1 2 4 5 3 1 0 0 1 1 1 1 1 0 1 0 0 1 1 1 2 1 1 1 0 0 0 0 1 2 2 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 !Region 5: Section 4->6 0 1 5 6 3 1 0 0 0 0 1 5 6 4 1 0 0 0 0 0 1 2 2 1 0 0 0 1 3 10 14 7 3 1 0 0 0 2 9 16 10 4 1 0 0 0 1 3 6 5 3 1 0 0 1 4 13 18 12 5 1 1 0 1 2 12 20 17 8 2 1 1 0 1 4 7 8 5 1 0 0 0 3 19 38 27 9 3 2 0 0 2 16 42 36 16 4 1 1 0 1 5 13 16 11 4 1 0 0 3 29 78 63 23 4 2 0 0 3 26 88 86 41 9 3 1 0 1 7 27 37 30 12 2 0 1 2 15 63 70 33 6 2 1 0 2 14 72100 60 14 3 1 0 1 4 22 44 45 21 5 1 1 1 3 17 27 19 5 1 0 1 1 3 20 40 34 13 2 0 0 1 2 7 18 27 20 7 1 0 1 2 6 10 8 3 0 0 0 1 2 6 14 14 8 1 0 0 0 1 2 6 10 12 5 1 0 0 0 2 3 2 1 0 0 0 0 0 2 4 4 2 0 0 0 0 0 1 2 3 3 1 0 !Region 5: Section 7->9 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1 0 1 0 0 1 1 2 2 2 1 0 0 0 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 2 1 3 5 3 1 0 0 0 1 1 1 2 1 1 0 0 0 0 1 1 1 0 0 0 0 1 2 1 5 14 11 2 1 0 0 1 1 1 4 4 1 0 0 1 1 1 0 0 0 0 0 1 1 2 3 7 23 22 8 1 1 0 1 2 2 7 10 5 1 0 0 1 0 0 0 0 1 0 0 0 2 2 4 15 23 11 2 0 0 1 1 1 5 10 6 2 0 0 0 0 1 0 1 1 0 0 -1 1 0 2 5 14 10 2 0 -1 1 1 1 2 6 6 2 0 0 1 1 1 0 0 1 0 0 0 0 1 1 2 4 2 0 0 0 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 I/Sigma = 45.16 Thresh = 0.020 Blend = F #Contributing = 22 InitialProfileWt = 0.069 Region 6 Sum = 12393; Maximum = 363.267; FM = 0.793 !Region 6: Section 1->3 1 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 1 2 3 3 1 1 0 0 0 1 2 1 0 0 0 1 0 0 2 5 3 1 1 0 1 0 0 2 6 8 6 3 2 1 0 0 1 3 1 0 0 0 0 0 0 2 7 3 1 1 1 0 0 0 2 7 10 9 5 2 1 0 0 0 2 1 1 0 0 0 0 0 1 5 4 2 1 0 1 1 0 2 7 14 15 9 3 1 1 0 0 1 1 1 0 0 0 0 0 1 3 3 3 1 1 1 1 0 1 7 22 31 17 6 2 1 0 1 1 1 0 1 1 0 0 0 1 2 2 2 1 1 1 1 0 1 5 17 30 19 6 2 1 0 0 1 0 0 1 0 0 0 0 1 1 1 0 1 1 0 0 0 1 2 5 8 7 2 1 1 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 0 1 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 1 0 0 !Region 6: Section 4->6 1 3 5 7 4 2 1 0 0 0 2 4 5 4 2 1 0 0 0 1 1 1 1 1 1 0 0 1 6 15 17 9 5 2 1 0 0 3 10 15 9 5 2 0 0 0 1 2 4 4 3 1 0 0 2 7 18 24 14 6 2 0 0 1 4 12 19 13 7 2 0 0 1 2 3 5 6 5 2 0 0 2 8 28 41 27 11 3 1 1 1 4 20 34 30 16 6 1 1 1 2 4 9 15 17 10 1 0 1 9 51 91 63 25 6 2 1 1 5 38 80 72 40 13 2 1 0 1 8 21 36 44 27 5 1 1 8 46100 71 27 6 2 1 1 5 36 92 79 42 14 3 1 1 2 7 24 36 47 35 9 1 1 4 14 33 26 11 3 1 1 1 2 12 32 29 17 8 2 1 0 0 3 9 13 21 22 9 2 1 3 4 9 9 6 2 1 0 0 2 3 9 10 7 4 2 0 0 1 1 2 5 8 10 8 2 0 1 2 3 4 2 1 0 0 0 1 1 3 4 3 1 0 0 0 0 0 1 2 3 3 2 1 !Region 6: Section 7->9 0 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 5 14 11 2 0 0 1 1 1 1 5 5 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 12 36 32 8 1 0 1 0 1 2 12 14 4 1 0 0 0 1 0 0 0 0 0 1 1 1 3 11 39 46 15 2 0 0 0 1 3 13 21 8 1 0 0 0 0 0 0 1 0 0 1 0 1 1 5 18 30 18 5 0 0 0 0 1 6 14 10 3 0 -1 0 0 0 0 1 1 0 1 1 1 0 2 8 15 14 4 1 1 1 0 0 3 7 8 3 0 1 0 -1 0 0 0 1 0 0 0 0 0 1 3 5 4 1 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 I/Sigma = 55.08 Thresh = 0.020 Blend = F #Contributing = 43 InitialProfileWt = 0.005 Region 7 Sum = 17562.3; Maximum = 507.123; FM = 0.844 !Region 7: Section 1->3 1 2 1 1 0 0 0 0 0 1 3 3 2 1 0 0 0 0 1 2 3 2 1 0 0 0 0 2 3 2 1 0 0 0 0 0 3 7 6 3 1 1 1 1 0 1 5 8 6 3 1 0 0 0 1 2 2 1 1 0 0 0 0 3 6 5 3 1 0 0 0 0 2 6 9 7 4 0 0 0 0 1 2 1 1 1 0 0 0 0 3 6 5 3 2 0 0 1 0 2 7 12 10 5 1 0 0 0 1 2 1 1 1 1 0 0 0 2 6 5 3 1 1 0 0 0 2 7 15 19 10 3 1 0 0 0 1 1 1 1 1 0 0 0 1 3 5 3 2 1 1 0 0 0 6 17 22 10 3 1 0 0 0 0 1 0 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 3 7 7 3 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 !Region 7: Section 4->6 0 1 2 4 3 1 0 0 0 0 1 1 3 4 2 1 0 0 0 1 1 2 2 2 1 0 0 0 2 7 12 10 3 1 1 0 0 1 4 11 12 6 2 1 0 0 1 1 4 6 4 2 1 0 1 3 11 16 12 3 1 1 0 0 2 7 16 15 8 3 1 0 0 1 2 6 9 10 5 1 0 1 5 17 31 23 9 2 1 0 1 2 12 34 37 25 9 2 0 1 2 4 14 26 35 18 4 1 1 6 29 69 55 22 4 1 0 1 3 23 81 91 55 16 3 1 1 2 7 31 61 71 34 7 1 0 6 36 84 62 19 3 1 0 1 4 30100 97 43 10 3 1 1 2 8 37 59 51 26 8 2 1 5 15 30 20 6 1 0 0 1 3 12 36 33 15 4 1 0 1 1 4 14 21 20 13 6 1 0 2 3 6 5 3 0 0 0 0 1 3 8 10 7 2 1 0 0 1 2 4 9 10 7 4 1 0 0 1 1 2 1 0 0 0 0 0 0 2 3 2 1 1 0 0 0 0 1 2 3 3 2 1 !Region 7: Section 7->9 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 1 1 2 2 2 2 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 4 7 5 2 1 0 1 1 2 2 3 3 2 2 0 0 0 0 0 1 1 1 1 1 1 2 3 10 24 18 6 1 0 0 1 1 3 7 8 4 2 0 0 0 1 1 1 2 1 1 1 2 2 5 19 44 36 12 2 0 0 1 2 3 11 17 9 2 0 0 0 0 1 1 2 2 1 1 1 2 5 17 33 32 15 3 0 0 1 2 3 9 16 12 3 0 0 0 0 1 1 2 3 1 0 1 1 2 7 16 21 13 3 0 0 1 1 2 6 13 11 4 0 0 0 0 1 1 2 4 2 0 1 1 2 5 9 12 9 2 0 0 1 1 1 4 8 8 3 0 0 0 0 0 0 2 3 1 0 0 0 1 1 3 5 3 1 0 0 0 0 0 1 4 3 1 0 0 0 0 0 0 1 1 0 I/Sigma = 68.24 Thresh = 0.020 Blend = F #Contributing = 49 InitialProfileWt = 0.007 Region 8 Sum = 29901.6; Maximum = 959.557; FM = 0.866 !Region 8: Section 1->3 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 1 4 4 2 1 0 0 0 0 1 3 6 6 2 1 1 0 0 1 3 2 1 1 1 0 0 0 2 7 7 3 1 1 1 0 0 1 5 12 10 3 1 1 0 0 1 4 3 1 0 0 0 0 0 2 8 8 3 1 1 1 1 0 1 7 15 15 6 2 1 1 0 0 3 3 1 0 0 0 0 0 1 7 8 3 1 1 1 1 0 1 6 15 26 14 3 1 1 0 0 2 2 1 1 1 1 0 0 1 4 5 4 2 1 1 1 0 1 4 13 33 20 3 1 1 0 0 1 1 1 1 1 1 0 0 1 2 2 2 2 1 1 1 0 1 2 7 16 10 2 1 1 0 0 1 1 0 1 0 0 0 0 0 1 2 1 1 1 1 0 0 0 1 2 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 !Region 8: Section 4->6 0 1 2 3 2 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 2 6 10 5 2 1 1 0 0 1 3 7 6 2 1 1 0 0 1 1 2 5 3 1 1 0 0 3 13 19 10 3 1 1 0 0 1 7 17 18 8 2 1 0 0 0 2 9 21 15 4 1 1 0 3 19 34 25 8 2 1 0 0 2 10 36 55 29 5 1 0 0 1 3 21 62 52 12 2 0 0 3 20 64 54 14 2 1 0 0 1 12 63100 46 6 1 0 0 1 3 30 92 73 17 2 0 1 3 20 78 57 10 2 1 0 0 1 12 63 76 27 5 1 0 0 1 3 21 55 41 14 3 0 1 2 11 34 22 4 1 1 0 0 1 7 23 23 11 3 1 0 0 0 2 6 16 18 9 2 0 0 1 3 6 5 2 1 0 0 0 1 2 4 6 4 2 1 0 0 0 1 2 5 7 5 2 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 2 2 1 0 !Region 8: Section 7->9 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 3 1 1 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 1 0 0 1 1 3 11 13 4 1 1 0 1 1 1 3 5 3 1 1 0 0 0 0 0 1 1 1 0 0 1 1 6 30 38 14 3 0 0 1 1 1 5 10 7 3 1 0 0 1 0 1 1 2 1 0 0 1 2 7 35 50 21 4 1 0 1 1 1 5 13 11 5 1 0 0 1 0 0 1 3 2 0 0 1 1 5 18 29 18 5 1 0 0 1 1 3 8 11 6 1 0 0 0 0 1 1 3 3 1 0 1 1 2 6 14 12 4 1 0 1 0 1 2 5 8 6 1 0 0 0 0 1 1 2 3 1 0 0 0 1 3 6 7 4 1 0 0 0 1 1 2 5 5 2 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 2 1 1 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 0 I/Sigma = 160.67 Thresh = 0.020 Blend = F #Contributing = 122 InitialProfileWt = 0.000 Region 9 Sum = 137063; Maximum = 7019.21; FM = 0.857 !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 1 1 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 4 5 1 0 0 0 0 0 1 6 9 2 1 0 0 0 0 0 2 2 0 0 0 0 0 0 1 7 9 3 1 0 0 0 0 1 9 19 8 2 1 0 0 0 0 1 1 0 0 0 0 0 0 1 5 8 5 1 0 0 0 0 1 7 22 22 5 1 0 0 0 0 0 1 0 0 0 0 0 0 0 2 4 5 2 0 0 0 0 0 3 13 23 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 1 4 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !Region 9: Section 4->6 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 2 3 1 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 5 10 4 1 0 0 0 0 0 3 8 6 1 0 0 0 0 0 1 5 7 2 1 0 0 0 1 8 26 20 5 1 0 0 0 0 5 29 39 12 1 0 0 0 0 2 22 42 17 2 0 0 0 0 6 41 62 20 1 0 0 0 0 5 48100 44 4 0 0 0 0 2 30 87 51 7 1 0 0 0 3 25 53 20 2 0 0 0 0 2 26 68 37 5 1 0 0 0 1 12 47 41 9 1 0 0 0 1 7 13 5 1 0 0 0 0 1 6 13 9 2 0 0 0 0 0 2 8 12 5 1 0 0 0 0 1 2 1 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 !Region 9: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 2 4 2 1 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 22 13 3 0 0 0 0 0 1 5 6 2 0 0 0 0 0 0 1 1 0 0 0 0 0 1 9 38 34 9 1 0 0 0 0 1 8 12 5 1 0 0 0 0 0 1 2 1 0 0 0 0 0 3 18 28 13 2 0 0 0 0 1 3 11 8 2 0 0 0 0 0 0 2 2 1 0 0 0 0 1 3 9 8 3 0 0 0 0 0 1 4 6 2 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 2 4 2 0 0 0 0 0 0 1 3 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics for this run ("*" => excluded from output) Spots with topped/rescanned pixels: 6 Total topped/rescanned pixels: 70 Minimum pixel ceiling(frame): 163809(neal054_13_0001.sfrm) Maximum pixel ceiling(frame): 163809(neal054_13_0001.sfrm) Total spots predicted: 866 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 113* Outside frame limits: 52* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 0* Spots exceeding dynamic range: 4* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 695 Total spot components written: 695 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 695 Twin overlaps written: 0 Average Intensity: 49994.57 Average I/sigma: 78.914 % over "strong" threshold: 88.78 % less than 2 sigma: 1.87 % which spanned more than 1 frame: 93.96 Average X,Y,Z positional errors: 0.15 0.10 -0.02 RMS X,Y,Z positional errors: 0.66 0.41 0.17 % X,Y,Z more than 0.5 pixel: 11.08 8.49 1.58 % X,Y,Z more than 1.0 pixel: 4.46 2.30 0.43 Avg % profile volume populated: 97.85 Avg % profile volume integrated: 18.69 Avg % profile missing I: 2.07 Avg % profile missing volume: 2.15 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 100.00 Max % intensity on XYZ boundaries: 6.11 10.22 4.21 Average spot-shape correlation: 0.755 RMS spot-shape correlation: 0.771 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.129 0.113 6 1.0 2.0 0.272 0.102 7 2.0 4.0 0.551 0.167 10 4.0 8.0 0.664 0.166 31 8.0 16.0 0.739 0.097 76 16.0 32.0 0.777 0.114 148 32.0 64.0 0.766 0.119 200 64.0 128.0 0.797 0.136 133 128.0 256.0 0.865 0.101 84 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): 191.074 Elapsed since INTEGRATE command (sec): 189.598 Integration time, this run (sec): 4.151 Time in unit-cell LS (sec): 0.037 Per-frame integration time (sec): 0.051 Integration completed normally ======================== 10/26/2021 10:25:04 Applying profile correlation filter from /smb/isengard/data/neal054/work/unsorted.raw to /smb/isengard/data/neal054/work/corrfilt.raw Scale of 1.1525917 will be applied to LS-fit intensities Number of spots read: 695 Number of LS-fit intensities scaled: 58 Number rejected due to poor spot shape: 0 Number unwritable (I, sigma too large): 0 Number written: 695 Sorting Reflection File ============================== 10/26/2021 10:25:04 Integration of neal054 Sorting input files: 1 /smb/isengard/data/neal054/work/corrfilt.raw Sorting to output file /smb/isengard/data/neal054/work/neal054_13.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... 695 spot components in 695 spots read from file 1--/smb/isengard/data/neal054/work/corrfilt.raw 695 spot components in 695 spots written to file /smb/isengard/data/neal054/work/neal054_13.raw Computing Reflection File Statistics ========== 10/26/2021 10:25:04 Integration of neal054 ................................................................................... Statistics for reflections in neal054_13.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of lines read (incl comments) = 695 Number of reflection records read = 695 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 695 Number of spot components used = 695 ................................................................................... Integration of neal054 Statistics for sample 1 of 1 in neal054_13.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 6.251 11.756 13.015 90.000 96.782 90.000 2/mB Monoclinic B-uniq Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 3 14 5 0.0 7680.837 18.41 10.77 0.113 0.006 2.0 0.000 0.258 0.00 2.9-.09-.18 3.6 1.4 .65 32.000 14 5 13 6 0.0 8852.736 20.30 10.88 0.074 -0.029 1.6 0.000 0.189 0.00 .04 .50 .08 1.2 .79 .39 64.000 28 9 26 11 3.6 12032.549 26.01 10.93 0.154 -0.033 3.8 0.000 0.377 0.00 .34 .27-.02 .95 .61 .28 96.000 42 12 35 19 0.0 11529.732 24.79 11.10 0.142 0.025 3.4 0.000 0.320 0.00 .27 .06-.03 .67 .50 .18 128.000 68 18 52 34 2.9 14074.264 27.55 11.38 0.137 0.001 3.2 0.000 0.279 0.00 .12 .01-.03 .46 .47 .15 160.000 83 29 57 55 2.4 22852.576 37.75 11.80 0.159 -0.008 4.6 0.000 0.331 0.00 .03 .09 .01 .26 .35 .11 192.000 109 41 74 76 4.6 29689.356 46.37 12.34 0.099 0.009 3.6 0.000 0.212 0.00 .09 .11-.00 .19 .26 .10 224.000 107 46 72 81 0.9 45589.948 62.06 12.89 0.089 -0.000 5.4 0.000 0.184 0.00 .14 .14-.03 .17 .38 .10 256.000 94 40 68 66 2.1 72012.943 95.74 13.61 0.099 0.001 8.7 0.000 0.219 0.00-.06 .09-.02 .09 .19 .08 288.000 69 29 48 50 0.0 102821.78 140.65 14.92 0.122 -0.007 15.4 0.000 0.276 0.00 .00 .12-.02 .10 .21 .12 320.000 40 12 31 21 0.0 130335.73 179.73 14.41 0.111 0.009 20.5 0.000 0.230 0.00 .03 .06-.05 .11 .14 .08 352.000 13 4 12 5 0.0 130619.69 216.65 14.43 0.074 -0.001 21.2 0.000 0.184 0.00 .08 .03-.06 .18 .17 .11 384.000 7 2 7 2 0.0 177013.56 332.51 13.70 0.345 -0.008 57.6 0.000 0.691 0.00 .22-.05-.02 .26 .13 .14 416.000 5 1 5 1 0.0 141056.84 392.61 12.82 0.276 -0.015 51.9 0.000 0.551 0.00-.01-.06-.05 .06 .07 .06 448.000 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_13.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28 0 28 0 0.0 37051.054 60.41 11.14 0.000 0.000 0.0 0.000 0.000 0.00 .44 .65-.08 1.0 1.1 .17 32.000 34 4 34 4 0.0 43324.989 74.53 11.35 0.103 0.006 8.6 0.000 0.207 0.00 .25 .18-.02 .52 .47 .11 64.000 62 31 62 31 1.6 46263.743 75.28 11.92 0.125 0.067 9.6 0.000 0.250 0.00 .17 .08-.02 .58 .33 .16 96.000 88 56 88 56 2.3 64559.832 96.21 12.75 0.103 0.024 7.7 0.000 0.207 0.00 .16 .08 .01 .57 .21 .18 128.000 110 77 110 77 2.7 56701.346 82.24 13.42 0.104 0.026 8.2 0.000 0.207 0.00 .15 .06-.01 .53 .16 .17 160.000 104 69 104 69 1.9 52094.642 77.29 13.82 0.088 0.002 6.7 0.000 0.176 0.00 .08 .08-.02 .32 .15 .09 192.000 108 79 108 79 1.9 51508.876 76.73 13.13 0.111 -0.028 7.6 0.000 0.223 0.00 .06 .11-.00 .54 .21 .15 224.000 66 49 66 49 0.0 48283.367 81.22 12.44 0.107 -0.035 6.6 0.000 0.214 0.00 .13 .10-.01 .73 .29 .12 256.000 54 39 54 39 3.7 42574.696 75.17 11.75 0.157 -0.070 7.2 0.000 0.314 0.00 .16 .07-.04 .83 .46 .13 288.000 30 22 30 22 3.3 25271.703 53.39 11.25 0.196 -0.107 7.2 0.000 0.392 0.00 .19-.02-.10 1.4 .90 .40 320.000 11 6 11 6 0.0 21265.527 41.71 11.19 0.151 -0.033 5.5 0.000 0.301 0.00 .41-.52-.10 .84 1.1 .17 352.000 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_13.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 25 20 25 20 0.0 44905.476 67.45 12.39 0.106 -0.062 7.4 0.000 0.212 0.00 .00 .16-.01 .12 .23 .07 30.000 76 60 76 60 0.0 53609.310 77.22 12.98 0.131 -0.054 9.0 0.000 0.262 0.00 .04 .13-.02 .14 .24 .08 60.000 108 78 107 79 2.8 57694.965 85.44 13.49 0.104 -0.026 7.0 0.000 0.208 0.00 .02 .10-.01 .17 .27 .13 90.000 121 81 116 86 3.3 55178.903 82.18 13.44 0.090 -0.005 6.2 0.000 0.178 0.00 .06 .05-.02 .24 .20 .12 120.000 119 83 113 89 2.5 53536.061 82.27 13.12 0.116 0.029 7.2 0.000 0.231 0.00 .08 .04-.03 .30 .32 .10 150.000 88 53 83 58 1.1 52445.295 80.87 12.27 0.105 0.044 9.2 0.000 0.208 0.00 .08 .06-.01 .41 .34 .10 180.000 65 27 64 28 3.1 41698.048 75.26 11.64 0.147 0.034 9.7 0.000 0.292 0.00 .10 .08-.01 .43 .28 .19 210.000 50 6 49 7 0.0 38580.061 72.47 11.23 0.088 0.001 2.2 0.000 0.182 0.00 .31 .06-.04 1.2 .45 .20 240.000 32 4 31 5 0.0 27496.919 56.52 11.01 0.086 0.002 1.6 0.000 0.179 0.00 .91 .16-.03 1.9 1.1 .50 270.000 11 0 11 0 0.0 13268.264 24.82 10.76 0.000 0.000 0.0 0.000 0.000 0.00 2.0 1.2-.12 2.3 1.4 .26 300.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 66 55 66 55 4.5 16838.764 34.23 11.33 0.156 -0.063 4.6 0.000 0.311 0.00 .27-.08-.06 1.3 .84 .29 2.000 29 12 29 12 0.0 75163.690 121.60 11.98 0.177 -0.082 18.2 0.000 0.355 0.00 .02 .09-.08 .17 .30 .13 3.000 401 147 316 232 2.0 27243.670 44.38 12.04 0.100 0.008 4.1 0.000 0.209 0.00 .22 .14-.01 .69 .40 .17 4.000 199 74 140 133 1.0 103216.26 141.08 14.50 0.107 0.008 13.8 0.000 0.221 0.00-.01 .08-.02 .10 .16 .09 5.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 222 155 207 170 1.4 55952.056 81.65 13.22 0.113 -0.036 8.0 0.000 0.230 0.00 .03 .12-.02 .15 .25 .10 2.000 6 1 6 1 0.0 160675.92 282.05 13.07 0.178 0.011 36.6 0.000 0.355 0.00 .27 .08-.13 .30 .13 .16 3.000 4 0 4 0 0.0 62439.150 127.41 11.52 0.000 0.000 0.0 0.000 0.000 0.00-.09-.12-.13 .18 .28 .19 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 7 7 7 7 0.0 14913.036 26.16 11.10 0.112 0.032 3.2 0.000 0.224 0.00 .47-.50-.05 1.1 1.3 .18 6.000 63 34 55 42 3.2 9850.575 22.63 11.12 0.157 -0.028 3.4 0.000 0.302 0.00 .43-.04-.05 1.6 .72 .33 7.000 171 67 161 77 2.3 19263.474 34.34 11.58 0.126 0.018 3.4 0.000 0.260 0.00 .29 .17-.01 .82 .45 .21 8.000 173 106 172 107 2.3 59463.963 82.64 12.94 0.105 0.033 7.8 0.000 0.212 0.00 .08 .11-.02 .18 .36 .10 9.000 49 20 41 28 0.0 139069.14 207.49 15.32 0.099 0.009 21.1 0.000 0.197 0.00 .04 .02-.02 .09 .10 .08 10.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 2.260 36 12 36 12 0.0 65972.214 102.36 12.78 0.081 0.028 6.9 0.000 0.163 0.00 .12-.02-.03 .39 .20 .12 6.089 35 13 35 13 5.7 56389.598 85.74 12.63 0.092 0.027 6.5 0.000 0.184 0.00 .01 .02 .00 .20 .14 .07 9.917 30 9 30 9 0.0 46046.969 82.23 12.34 0.091 0.014 5.8 0.000 0.182 0.00-.01 .06 .03 .43 .34 .10 13.746 40 21 40 21 0.0 44949.977 72.18 12.66 0.081 0.009 5.7 0.000 0.163 0.00 .01-.01 .05 .20 .16 .23 17.574 26 10 26 10 0.0 47326.031 74.17 12.46 0.165 0.066 15.3 0.000 0.330 0.00 .08-.04 .02 .28 .08 .07 21.403 36 24 36 24 0.0 56754.028 87.15 12.72 0.107 0.068 7.5 0.000 0.213 0.00 .14-.07-.01 .57 .55 .11 25.231 37 20 37 20 0.0 40614.776 70.84 12.31 0.084 0.033 5.1 0.000 0.168 0.00 .11-.10 .00 .46 .21 .09 29.060 33 20 33 20 0.0 65272.273 101.21 12.94 0.145 -0.025 11.5 0.000 0.290 0.00 .16-.07 .05 .76 .24 .10 32.888 36 23 36 23 5.6 28463.642 54.50 12.30 0.217 -0.143 11.5 0.000 0.435 0.00 .19-.04 .04 .77 .30 .17 36.717 36 25 36 25 2.8 43006.396 75.88 12.83 0.084 -0.063 6.9 0.000 0.168 0.00 .13-.03 .02 .67 .22 .11 40.545 40 29 40 29 2.5 57531.917 91.16 12.69 0.101 0.010 7.0 0.000 0.201 0.00 .19 .02-.02 .89 .38 .14 44.374 31 23 31 23 3.2 46046.222 76.22 12.86 0.082 0.035 5.9 0.000 0.165 0.00 .16 .22-.03 .47 .49 .17 48.202 39 29 39 29 5.1 37897.395 65.34 12.57 0.108 0.006 6.3 0.000 0.216 0.00 .09 .19-.04 .57 .47 .15 52.031 36 31 36 31 0.0 56784.047 81.05 13.29 0.111 0.027 7.7 0.000 0.222 0.00 .05 .27-.08 .47 .41 .23 55.859 39 29 39 29 0.0 59684.321 78.39 12.65 0.110 0.003 7.9 0.000 0.221 0.00 .34 .25-.13 1.3 .93 .37 59.688 32 27 32 27 0.0 49622.306 79.05 12.94 0.126 -0.041 9.5 0.000 0.252 0.00 .06 .24-.02 .21 .29 .09 63.516 37 27 37 27 5.4 42312.244 65.24 12.51 0.093 -0.016 5.5 0.000 0.187 0.00 .28 .17-.06 .94 .38 .18 67.345 24 19 24 19 4.2 41484.773 63.26 12.53 0.100 -0.030 5.9 0.000 0.200 0.00 .30 .33-.09 .81 .58 .19 71.173 34 24 33 25 2.9 48510.135 69.52 12.36 0.143 -0.068 8.4 0.000 0.285 0.00 .32 .36-.07 .63 .56 .13 75.002 38 16 38 16 0.0 61775.442 85.54 13.00 0.107 -0.016 5.7 0.000 0.214 0.00 .24 .27-.02 .68 .34 .12 78.830 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 60.000 87 27 86 28 2.3 57125.220 91.08 12.58 0.088 0.023 6.4 0.000 0.175 0.00 .06 .02-.00 .37 .24 .10 70.000 89 44 88 45 0.0 51322.004 80.66 12.68 0.113 0.045 9.0 0.000 0.227 0.00 .02-.02 .03 .23 .15 .16 80.000 89 48 85 52 0.0 51829.348 83.74 12.56 0.114 0.010 7.8 0.000 0.229 0.00 .16-.08 .01 .66 .40 .11 90.000 96 61 93 64 3.1 39251.838 71.16 12.56 0.110 -0.067 8.0 0.000 0.219 0.00 .12-.02 .03 .64 .23 .14 100.000 94 65 90 69 4.3 45951.976 75.76 12.75 0.106 0.021 6.7 0.000 0.215 0.00 .17 .15-.04 .73 .48 .16 110.000 93 69 88 74 0.0 56594.958 79.05 12.99 0.110 0.007 8.3 0.000 0.223 0.00 .18 .25-.10 .92 .66 .28 120.000 86 59 77 68 3.5 42965.279 66.63 12.54 0.113 -0.036 6.3 0.000 0.234 0.00 .22 .24-.06 .76 .43 .16 130.000 61 29 58 32 1.6 58352.162 81.14 12.73 0.125 -0.032 7.6 0.000 0.260 0.00 .31 .33-.04 .71 .48 .13 140.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 150.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 160.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 170.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 180.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 190.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 10.370 78 26 77 27 2.6 62082.607 95.94 12.68 0.087 0.025 6.4 0.000 0.173 0.00 .06-.00-.01 .30 .17 .10 10.420 72 29 71 30 0.0 44071.383 72.54 12.56 0.086 0.015 6.3 0.000 0.169 0.00 .00 .02 .04 .31 .25 .18 10.470 77 42 76 43 0.0 47479.475 77.31 12.51 0.121 0.067 8.7 0.000 0.242 0.00 .13-.06-.00 .52 .39 .10 10.520 101 61 95 67 3.0 48458.795 81.64 12.65 0.127 -0.054 9.6 0.000 0.278 0.00 .15-.07 .04 .65 .26 .13 10.570 77 52 76 53 2.6 49928.470 84.48 12.79 0.094 0.012 6.7 0.000 0.189 0.00 .16 .05-.02 .79 .33 .15 10.620 63 48 62 49 3.2 41188.697 65.25 12.59 0.107 0.001 5.9 0.000 0.212 0.00 .08 .24-.03 .54 .50 .13 10.670 80 58 75 63 0.0 56201.711 80.14 13.01 0.111 0.010 8.7 0.000 0.226 0.00 .22 .24-.11 .99 .70 .30 10.720 73 52 67 58 4.1 41797.491 65.82 12.52 0.104 -0.024 6.0 0.000 0.212 0.00 .24 .24-.06 .82 .45 .17 10.770 74 37 69 42 1.4 56801.067 79.35 12.72 0.134 -0.041 7.8 0.000 0.278 0.00 .27 .31-.04 .65 .45 .13 10.820 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.870 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.920 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.970 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.020 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 11.070 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.120 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.170 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.220 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.270 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 11.320 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.370 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 14.000 695 216 479 432 1.9 50008.422 78.60 12.67 0.110 0.000 7.5 0.000 0.231 0.00 .15 .10-.02 .66 .41 .17 15.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4 2 3 3100.0 85.263 0.43 12.19 0.755 -0.410 0.7 0.000 2.708 0.00 .24-.14-.01 .59 .31 .17 0.100 4 2 4 2 75.0 206.791 1.23 12.87 2.399 -1.128 2.6 0.000 4.797 0.00-.03 .09 .03 .17 .25 .18 0.200 5 1 5 1 80.0 431.028 2.36 11.48 1.634 -0.325 3.1 0.000 3.268 0.00 .44-.18 .02 1.2 .22 .17 0.300 4 1 4 1 25.0 728.409 3.58 12.65 0.332 0.048 0.6 0.000 0.665 0.00 .87 .01-.14 1.8 .25 .38 0.400 21 13 20 14 4.8 24650.699 47.63 13.11 0.133 0.046 5.9 0.000 0.265 0.00-.02 .00 .02 .29 .21 .12 0.500 54 36 49 41 0.0 41625.972 58.92 12.87 0.088 0.011 4.3 0.000 0.178 0.00 .13 .06 .02 .77 .21 .11 0.600 120 64 111 73 0.0 36626.860 59.27 12.61 0.091 0.018 5.8 0.000 0.180 0.00 .15 .09-.01 .49 .21 .15 0.700 151 94 139 106 0.0 44032.956 71.00 12.47 0.122 -0.027 7.5 0.000 0.242 0.00 .18 .09-.04 .72 .46 .17 0.800 245 120 219 146 0.0 50075.181 74.93 12.66 0.106 0.003 7.6 0.000 0.226 0.00 .15 .13-.02 .69 .54 .20 0.900 87 39 81 45 0.0 99672.765 148.46 13.00 0.123 0.002 14.3 0.000 0.248 0.00 .10 .14-.03 .51 .29 .08 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 674 215 463 426 1.9 50900.614 79.90 12.72 0.110 0.000 7.6 0.000 0.231 0.00 .08 .10-.01 .38 .28 .14 0.050 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.100 3 0 3 0 0.0 4579.967 13.35 10.94 0.000 0.000 0.0 0.000 0.000 0.00 3.1-1.1-.20 3.7 1.3 .22 0.150 4 1 3 2 0.0 17269.600 39.08 11.49 0.082 0.000 1.9 0.000 0.178 0.00 1.3 .23 .07 1.8 .37 .16 0.200 4 1 4 1 0.0 20031.475 34.26 10.88 0.003 -0.000 0.0 0.000 0.006 0.00 2.6-.27 .21 3.0 1.2 .43 0.250 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.300 2 2 2 2 0.0 5398.300 10.81 10.82 0.166 -0.030 1.8 0.000 0.332 0.00 6.5-2.6-1.2 6.6 3.1 1.5 0.350 2 0 2 0 0.0 57530.650 73.90 11.17 0.000 0.000 0.0 0.000 0.000 0.00 .49 1.0-.26 .69 1.5 .26 0.400 2 0 2 0 0.0 11577.300 21.62 10.89 0.000 0.000 0.0 0.000 0.000 0.00 2.2 2.9-.34 2.7 2.9 .42 0.450 2 0 2 0 0.0 33140.949 37.06 10.95 0.000 0.000 0.0 0.000 0.000 0.00 1.2 1.5-.16 1.5 1.7 .17 0.500 1 0 1 0 0.0 36812.602 34.54 10.69 0.000 0.000 0.0 0.000 0.000 0.00 1.9 1.6-.19 1.9 1.6 .19 0.550 1 1 1 1 0.0 33788.898 29.14 11.08 0.009 0.009 0.3 0.000 0.019 0.00 1.7-2.6-.29 1.7 2.6 .29 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_13.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 54 23 53 24 7.4 26032.268 52.22 12.36 0.112 0.020 5.5 0.000 0.224 0.00 .17-.02-.01 .65 .28 .14 0.050 45 25 43 27 0.0 39686.073 70.60 12.11 0.085 -0.014 8.4 0.000 0.167 0.00 .34 .15-.04 .82 .35 .19 0.100 30 19 29 20 0.0 53072.460 87.95 12.55 0.065 -0.018 7.1 0.000 0.128 0.00 .24 .08-.05 .76 .58 .14 0.150 29 17 28 18 0.0 48264.731 72.69 12.77 0.142 -0.028 10.1 0.000 0.283 0.00 .27 .16-.04 .45 .39 .09 0.200 34 17 34 17 0.0 60627.288 97.10 12.85 0.174 -0.014 10.8 0.000 0.348 0.00 .27 .08-.04 .75 .64 .10 0.250 29 20 29 20 0.0 50145.493 72.96 12.96 0.097 -0.040 6.8 0.000 0.194 0.00 .15 .09 .01 .31 .17 .07 0.300 33 19 33 19 0.0 69537.734 97.85 13.07 0.092 0.015 6.7 0.000 0.184 0.00 .02 .15-.02 .31 .63 .16 0.350 43 25 41 27 4.7 48516.112 76.60 12.90 0.100 0.033 6.5 0.000 0.205 0.00 .25 .08-.05 1.1 .45 .23 0.400 39 25 39 25 0.0 54461.328 80.63 12.56 0.117 0.042 7.9 0.000 0.235 0.00 .03 .05 .01 .22 .28 .14 0.450 36 25 35 26 0.0 34725.988 56.44 11.88 0.144 0.028 7.6 0.000 0.285 0.00 .14 .14-.00 .42 .37 .08 0.500 32 21 32 21 3.1 48176.879 77.93 12.13 0.145 -0.032 8.9 0.000 0.290 0.00 .09 .17-.06 .42 .46 .16 0.550 25 17 25 17 4.0 56359.796 82.34 12.53 0.080 -0.008 5.5 0.000 0.160 0.00 .33 .11 .02 1.2 .32 .14 0.600 37 24 37 24 0.0 63664.446 90.00 12.94 0.080 -0.021 5.9 0.000 0.159 0.00 .27-.04-.04 1.4 .73 .36 0.650 35 21 35 21 2.9 52770.323 77.88 13.08 0.098 0.011 5.9 0.000 0.196 0.00 .02 .09-.01 .23 .19 .16 0.700 37 24 35 26 0.0 76425.724 101.22 13.34 0.101 -0.034 9.3 0.000 0.213 0.00 .12 .13-.02 .46 .29 .08 0.750 19 10 19 10 0.0 55241.868 78.99 12.56 0.132 -0.001 9.6 0.000 0.264 0.00 .14 .17-.01 .52 .44 .11 0.800 36 21 35 22 0.0 57356.567 80.27 12.84 0.113 0.012 9.0 0.000 0.235 0.00 .15 .20-.01 .47 .41 .25 0.850 31 19 29 21 3.2 47287.135 85.28 12.73 0.089 -0.005 6.1 0.000 0.177 0.00 .03 .08-.03 .39 .29 .14 0.900 31 21 31 21 3.2 33172.050 55.67 12.49 0.078 0.027 4.5 0.000 0.155 0.00 .02 .08-.02 .22 .22 .09 0.950 40 24 38 26 5.0 42803.877 74.91 12.94 0.163 0.039 9.5 0.000 0.325 0.00-.05 .13 .03 .34 .26 .13 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.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 1678.492 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3356.984 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6713.969 4 4 4 4 25.0 5074.188 15.38 13.05 0.140 0.113 1.7 0.000 0.279 0.00 .00 .04-.02 .10 .05 .12 13427.938 187 92 140 139 4.3 18305.262 35.58 13.01 0.126 -0.003 4.0 0.000 0.261 0.00 .04 .07-.00 .19 .16 .11 26855.875 276 122 219 179 1.1 39259.039 58.46 12.44 0.098 -0.002 5.9 0.000 0.208 0.00 .09 .09-.01 .31 .25 .14 53711.750 164 60 148 76 0.6 58791.603 91.89 12.33 0.128 -0.015 12.2 0.000 0.277 0.00 .24 .17-.02 .95 .54 .20 107423.500 52 24 43 33 0.0 156578.16 176.66 13.71 0.108 0.021 20.9 0.000 0.238 0.00 .55 .02-.10 1.5 .96 .31 214847.000 9 1 9 1 0.0 166311.36 252.00 12.54 0.007 0.002 2.1 0.000 0.015 0.00 .13 .02-.11 .28 .22 .17 429694.000 3 0 3 0 0.0 398763.00 508.19 13.39 0.000 0.000 0.0 0.000 0.000 0.00 .02-.07-.02 .11 .08 .05 859388.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.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 3.631 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.447 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.262 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.078 35 8 33 10 0.0 9995.526 22.23 10.79 0.183 -0.031 3.7 0.000 0.417 0.00 1.7 .27-.06 2.6 1.2 .50 10.894 396 127 303 220 2.0 30121.241 52.65 11.69 0.137 -0.005 5.3 0.000 0.286 0.00 .08 .09-.02 .39 .40 .14 12.709 165 86 120 131 2.4 62933.093 85.49 13.49 0.102 0.001 7.7 0.000 0.216 0.00 .07 .10-.02 .15 .16 .08 14.525 63 36 51 48 1.6 114285.23 147.23 15.34 0.114 0.014 14.9 0.000 0.234 0.00 .00 .06-.02 .10 .13 .09 16.340 36 17 30 23 0.0 135946.36 165.85 16.95 0.076 -0.008 13.6 0.000 0.175 0.00 .01 .10-.02 .10 .15 .14 18.156 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 1 1 1 0.0 11635.600 24.48 10.94 0.006 0.006 0.1 0.000 0.012 0.00-1.6 .89 .15 1.6 .89 .15 -1.380 1 1 1 1 0.0 11497.600 24.18 11.04 0.006 -0.006 0.1 0.000 0.012 0.00-1.3 .39 .14 1.3 .39 .14 -1.260 1 1 1 1 0.0 5878.100 15.53 10.88 0.839 -0.839 13.0 0.000 1.677 0.00-1.2 .83 .20 1.2 .83 .20 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 4 1 4 1 0.0 6789.450 17.84 11.02 0.766 -0.090 6.9 0.000 1.531 0.00-.85 .11 .12 .85 .69 .15 -0.780 8 5 8 5 12.5 4349.040 13.32 11.60 0.072 -0.032 0.8 0.000 0.143 0.00-.70 .06 .22 .70 .33 .25 -0.660 7 5 7 5 0.0 7295.471 18.63 11.08 0.256 -0.131 3.8 0.000 0.512 0.00-.58 .26 .12 .58 .56 .21 -0.540 9 6 9 6 11.1 4793.715 13.78 11.30 0.271 -0.075 3.2 0.000 0.543 0.00-.47 .13 .29 .47 .41 .49 -0.420 12 7 12 7 8.3 17538.585 39.68 11.83 0.109 0.018 2.2 0.000 0.219 0.00-.36 .08 .15 .36 .33 .25 -0.300 24 15 24 15 4.2 24109.287 51.80 12.01 0.207 -0.010 4.6 0.000 0.414 0.00-.22 .03 .12 .22 .30 .16 -0.180 100 45 92 53 2.0 50645.169 80.39 12.90 0.115 0.018 8.3 0.000 0.255 0.00-.11 .05 .01 .11 .18 .12 -0.060 187 98 158 127 1.1 77180.425 105.26 13.47 0.100 0.003 8.6 0.000 0.210 0.00 .00 .08-.01 .04 .18 .07 0.060 153 83 132 104 1.3 54808.501 78.88 12.98 0.119 -0.004 9.3 0.000 0.239 0.00 .12 .11-.03 .12 .20 .07 0.180 100 59 89 70 2.0 48618.423 71.89 12.50 0.109 -0.019 7.2 0.000 0.220 0.00 .23 .14-.05 .23 .23 .09 0.300 26 9 23 12 0.0 12222.915 25.98 11.51 0.227 0.006 3.5 0.000 0.407 0.00 .36 .06-.11 .36 .37 .13 0.420 11 6 11 6 0.0 8500.750 20.24 11.22 0.111 0.004 1.8 0.000 0.222 0.00 .47-.01-.16 .47 .39 .27 0.540 11 5 11 5 0.0 22257.036 48.53 11.24 0.112 0.019 2.1 0.000 0.225 0.00 .60 .44-.29 .60 1.1 .44 0.660 6 5 6 5 0.0 9813.450 22.62 11.04 0.201 -0.046 4.2 0.000 0.403 0.00 .72 .10-.06 .72 .25 .16 0.780 4 0 4 0 0.0 8988.850 21.26 10.92 0.000 0.000 0.0 0.000 0.000 0.00 .84 .16-.07 .84 .40 .10 0.900 2 0 2 0 0.0 14652.700 25.22 11.17 0.000 0.000 0.0 0.000 0.000 0.00 .96 1.2-.24 .96 1.5 .24 1.020 3 1 3 1 33.3 4633.060 14.02 11.05 0.281 -0.082 3.1 0.000 0.562 0.00 1.1-.47-.16 1.1 .58 .18 1.140 1 0 1 0 0.0 2394.200 8.54 11.05 0.000 0.000 0.0 0.000 0.000 0.00 1.2 .08 .07 1.2 .08 .07 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 24 6 23 7 0.0 10009.537 20.57 10.85 0.056 -0.002 1.3 0.000 0.104 0.00 2.9 .11-.23 3.2 1.6 .54 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 4 3 4 3 0.0 12642.725 19.10 10.94 0.023 0.020 0.6 0.000 0.046 0.00 4.2-2.8-.74 4.9 2.9 1.1 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 1 1 1 1 0.0 6259.900 13.80 10.79 0.169 -0.169 2.3 0.000 0.338 0.00 5.4-1.0-.27 5.4 1.0 .27 -1.020 2 1 2 1 0.0 1258.000 5.04 11.13 0.242 0.142 1.4 0.000 0.484 0.00-.12-.95-.04 .70 .95 .28 -0.900 3 2 3 2 0.0 3567.433 10.94 11.22 0.270 -0.140 2.2 0.000 0.541 0.00 .76-.81-.19 1.1 .81 .39 -0.780 5 3 5 3 0.0 5484.939 16.64 11.33 0.161 0.016 2.4 0.000 0.321 0.00 .36-.70-.20 .43 .70 .20 -0.660 2 1 2 1 50.0 1536.589 7.09 11.22 1.172 -1.259 15.5 0.000 2.343 0.00 .54-.60 .06 .81 .60 .22 -0.540 3 0 3 0 0.0 33033.899 75.43 11.14 0.000 0.000 0.0 0.000 0.000 0.00-.53-.48 .02 .56 .48 .18 -0.420 10 5 10 5 0.0 8618.790 22.48 11.30 0.125 0.008 1.6 0.000 0.250 0.00 .45-.34 .08 1.2 .34 .46 -0.300 28 8 28 8 14.3 10711.935 27.59 11.41 0.264 0.015 4.2 0.000 0.529 0.00 .09-.24 .04 .57 .24 .14 -0.180 81 44 80 45 1.2 49147.732 80.56 12.41 0.122 -0.005 9.7 0.000 0.244 0.00 .05-.11 .02 .21 .12 .09 -0.060 194 94 163 125 2.1 61677.802 95.61 13.23 0.110 0.021 8.8 0.000 0.232 0.00 .02-.00 .01 .30 .04 .08 0.060 127 71 119 79 1.6 57195.494 87.70 13.21 0.095 0.005 6.5 0.000 0.192 0.00 .13 .12-.02 .45 .13 .14 0.180 117 80 108 89 0.9 59566.236 78.94 12.98 0.098 -0.003 6.9 0.000 0.204 0.00 .11 .24-.06 .21 .24 .17 0.300 63 40 60 43 0.0 43933.174 64.19 12.12 0.128 -0.064 7.3 0.000 0.261 0.00 .09 .35-.04 .35 .35 .10 0.420 20 13 20 13 0.0 29815.732 49.18 11.70 0.134 -0.020 7.3 0.000 0.269 0.00 .25 .48-.02 .69 .48 .15 0.540 14 7 14 7 0.0 13938.279 28.76 11.07 0.170 -0.009 3.3 0.000 0.340 0.00-.00 .59-.01 .58 .59 .14 0.660 5 3 5 3 0.0 40823.800 66.43 11.35 0.281 -0.233 18.2 0.000 0.562 0.00 .18 .71 .02 .56 .71 .13 0.780 5 3 5 3 0.0 15840.460 29.43 10.92 0.359 -0.092 6.7 0.000 0.719 0.00 .17 .85 .14 2.1 .85 .22 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 2 1 2 1 0.0 5866.250 16.50 11.05 0.030 -0.008 0.3 0.000 0.061 0.00 .94 1.1 .09 1.7 1.1 .23 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 2934.400 9.36 10.82 0.000 0.000 0.0 0.000 0.000 0.00 1.9 1.3-.20 1.9 1.3 .20 1.380 8 0 8 0 0.0 16664.612 26.70 10.84 0.000 0.000 0.0 0.000 0.000 0.00 2.0 2.0-.32 2.2 2.1 .37 1.500 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 1 1 1 1 0.0 4536.700 8.32 10.84 0.162 0.162 1.3 0.000 0.324 0.00 7.6-4.2-2.1 7.6 4.2 2.1 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 1 1 1 1 0.0 6950.700 16.62 11.15 0.054 -0.054 0.9 0.000 0.107 0.00 .62 .27-1.2 .62 .27 1.2 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 1 0 1 0 0.0 964.754 3.87 10.95 0.000 0.000 0.0 0.000 0.000 0.00 .48 .19-.80 .48 .19 .80 -0.780 1 0 1 0 0.0 1185.600 5.27 10.79 0.000 0.000 0.0 0.000 0.000 0.00-.10 .16-.71 .10 .16 .71 -0.660 3 1 3 1 0.0 3862.633 11.37 11.13 0.242 -0.031 1.3 0.000 0.484 0.00 1.8 1.4-.59 2.1 2.1 .59 -0.540 2 1 2 1 0.0 7164.350 18.14 11.19 0.000 -0.000 0.0 0.000 0.000 0.00 1.0 .32-.50 1.3 .35 .50 -0.420 4 1 4 1 0.0 35033.850 95.03 11.39 0.242 0.003 1.4 0.000 0.484 0.00 2.1-.31-.33 2.8 1.4 .33 -0.300 29 17 28 18 3.4 20583.347 44.54 11.93 0.049 -0.013 1.9 0.000 0.092 0.00 .85 .04-.23 1.4 1.1 .23 -0.180 178 92 161 109 2.2 52052.942 84.86 12.81 0.096 -0.015 7.0 0.000 0.201 0.00 .26 .16-.10 .59 .35 .10 -0.060 341 159 282 218 0.9 64443.651 87.65 12.95 0.112 0.012 8.9 0.000 0.222 0.00 .06 .09-.00 .17 .18 .03 0.060 100 58 95 63 1.0 25460.393 48.06 12.16 0.139 -0.041 7.1 0.000 0.277 0.00-.10 .06 .10 .38 .28 .10 0.180 25 15 25 15 8.0 5919.702 17.37 11.70 0.243 -0.078 4.4 0.000 0.485 0.00-.27 .02 .24 .83 .46 .24 0.300 4 2 4 2 25.0 4351.768 15.55 12.48 0.064 0.013 1.0 0.000 0.129 0.00 .76 .37 .36 2.1 .54 .36 0.420 2 1 2 1 50.0 1062.067 4.53 12.05 0.305 0.046 0.5 0.000 0.609 0.00-.40 .06 .45 .51 .07 .46 0.540 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.660 2 1 2 1 0.0 9064.450 26.08 13.69 0.033 0.025 1.4 0.000 0.066 0.00 1.7 .11 .70 2.7 .12 .71 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 1 0 1 0 0.0 6846.200 19.49 10.79 0.000 0.000 0.0 0.000 0.000 0.00-.53-.32 1.4 .53 .32 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_13.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 263 0 263 0 1.9 46434.162 77.64 12.19 0.000 0.000 0.0 0.000 0.000 0.00 .24 .11-.02 .79 .48 .17 1.000 432 216 216 432 1.9 52184.419 79.14 12.97 0.110 0.000 7.5 0.000 0.231 0.00 .09 .09-.02 .56 .37 .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 0 0 0 0 0.0 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_13.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 695 216 479 432 1.9 50008.422 78.60 12.67 0.110 0.000 7.5 0.000 0.231 0.00 .15 .10-.02 .66 .41 .17 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_13.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 108 33 75 66 0.0 126738.48 181.25 15.15 0.102 0.000 17.5 0.000 0.213 0.00 .03 .06-.03 .13 .15 .11 1.894 101 35 66 70 1.0 79052.968 105.98 13.62 0.132 0.000 12.0 0.000 0.283 0.00-.04 .09-.02 .10 .18 .08 1.504 94 34 60 68 1.1 49275.468 67.55 12.84 0.087 0.000 5.7 0.000 0.181 0.00 .09 .10-.02 .15 .21 .08 1.314 74 26 48 52 5.4 37596.754 54.76 12.46 0.082 0.000 4.5 0.000 0.170 0.00 .11 .15-.01 .19 .44 .12 1.194 79 27 52 54 2.5 25126.188 40.96 12.19 0.110 0.000 3.1 0.000 0.226 0.00 .08 .10-.01 .20 .28 .10 1.108 61 19 42 38 3.3 23952.310 39.00 11.74 0.168 0.000 5.3 0.000 0.346 0.00 .04 .10 .01 .27 .39 .11 1.043 62 18 44 36 1.6 14015.272 27.36 11.42 0.123 0.000 2.9 0.000 0.243 0.00 .14 .01-.03 .45 .47 .14 0.991 50 12 38 24 2.0 13333.079 27.17 11.18 0.158 0.000 3.8 0.000 0.369 0.00 .20 .05-.03 .61 .50 .17 0.948 39 8 31 16 2.6 12214.294 25.52 10.98 0.145 0.000 3.4 0.000 0.305 0.00 .28 .32-.02 .84 .64 .25 0.911 27 4 23 8 0.0 7839.870 19.17 10.83 0.082 0.000 1.6 0.000 0.170 0.00 1.8 .05-.06 2.9 1.2 .57 0.880 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 31 12 25 18 41.9 531.068 2.75 12.62 0.600 -0.248 1.6 0.000 1.471 0.00 .12-.07 .02 .89 .31 .24 1115.223 18 11 17 12 0.0 1585.117 6.17 11.70 0.622 -0.256 4.0 0.000 1.307 0.00 .20 .01-.05 .63 .40 .27 2230.445 48 26 41 33 0.0 3202.723 9.88 11.90 0.281 -0.126 2.9 0.000 0.682 0.00 .28 .15-.07 .94 .71 .20 4460.891 89 39 76 52 0.0 6349.306 17.05 11.73 0.200 -0.021 3.7 0.000 0.481 0.00 .35-.02-.02 1.3 .63 .34 8921.781 106 43 89 60 0.0 13046.069 27.82 11.96 0.148 0.006 4.1 0.000 0.345 0.00 .18 .12-.00 .69 .34 .13 17843.562 123 51 101 73 0.0 26169.703 41.41 12.33 0.140 -0.035 6.7 0.000 0.340 0.00 .14 .16-.01 .45 .47 .08 35687.125 126 54 97 83 0.0 49807.930 64.62 13.18 0.117 0.012 9.2 0.000 0.264 0.00 .07 .12-.02 .22 .25 .06 71374.250 98 37 74 61 0.0 99679.311 104.82 13.32 0.095 -0.011 10.0 0.000 0.229 0.00 .05 .13-.03 .14 .22 .07 142748.500 42 20 31 31 0.0 203505.05 182.66 14.91 0.117 0.006 21.2 0.000 0.267 0.00 .04 .11-.04 .10 .17 .07 285497.000 14 6 11 9 0.0 342764.21 261.92 15.31 0.062 0.028 13.1 0.000 0.162 0.00 .03 .03-.03 .12 .10 .07 570994.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 13 5 10 8100.0 201.207 1.07 12.35 1.080 -0.586 1.4 0.000 2.549 0.00-.00-.08 .05 .43 .23 .21 1.880 7 4 7 4 0.0 502.850 2.88 13.38 0.731 -0.434 2.0 0.000 1.462 0.00-.13-.03 .09 .35 .34 .23 3.534 24 14 22 16 0.0 1226.711 5.17 12.13 0.637 -0.274 3.4 0.000 1.384 0.00 .29-.11-.08 1.0 .36 .28 6.643 54 26 44 36 0.0 3218.535 9.55 11.73 0.237 -0.047 2.3 0.000 0.579 0.00 .49 .11-.08 1.5 .89 .36 12.488 105 41 83 63 0.0 7167.002 18.18 11.68 0.190 -0.028 3.7 0.000 0.441 0.00 .30 .04-.01 .00 .48 .23 23.476 168 58 133 93 0.0 19045.561 33.97 12.00 0.128 -0.010 4.4 0.000 0.304 0.00 .13 .15-.00 .51 .45 .11 44.133 170 67 123 114 0.0 48704.638 61.03 12.91 0.108 0.001 7.1 0.000 0.236 0.00 .07 .13-.01 .14 .23 .06 82.963 94 37 73 58 0.0 99650.842 111.74 13.89 0.094 -0.015 11.9 0.000 0.223 0.00 .01 .12-.03 .10 .19 .06 155.960 55 24 39 40 0.0 202921.25 201.17 14.87 0.111 0.018 23.7 0.000 0.243 0.00 .05 .06-.04 .13 .16 .08 293.183 5 0 5 0 0.0 357330.00 442.68 13.52 0.000 0.000 0.0 0.000 0.000 0.00 .11-.02-.06 .17 .09 .09 551.144 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 55 28 28 55 0.0 70014.264 93.50 12.83 0.016 0.000 1.3 0.000 0.033 0.00 .07 .06-.02 .52 .53 .12 0.030 81 45 45 81 0.0 64125.720 83.75 13.43 0.045 0.006 3.2 0.000 0.092 0.00 .07 .14-.03 .19 .24 .18 0.060 45 30 30 45 0.0 56597.022 77.94 13.51 0.073 -0.005 4.7 0.000 0.143 0.00 .16 .13-.01 .54 .25 .09 0.090 43 35 35 43 0.0 66378.327 86.15 13.17 0.106 0.050 7.1 0.000 0.212 0.00 .06 .13-.02 .15 .19 .07 0.120 35 35 35 35 0.0 54828.820 74.09 12.81 0.138 0.030 8.1 0.000 0.275 0.00 .07 .10 .01 .24 .21 .09 0.150 38 38 38 38 0.0 53575.682 86.04 12.78 0.167 0.077 11.2 0.000 0.335 0.00 .36-.03-.07 1.5 .74 .35 0.180 23 23 23 23 0.0 74758.187 97.02 12.90 0.197 0.054 15.2 0.000 0.394 0.00 .06 .11-.01 .15 .19 .08 0.210 19 19 19 19 0.0 23340.162 44.49 12.18 0.224 -0.021 8.3 0.000 0.448 0.00 .09 .06-.06 .35 .21 .12 0.240 21 21 21 21 0.0 23805.813 52.39 12.34 0.256 -0.101 10.5 0.000 0.512 0.00 .19-.04-.06 .40 .36 .17 0.270 11 11 11 11 0.0 62630.409 108.20 13.42 0.284 -0.217 25.5 0.000 0.567 0.00 .20 .05-.07 .35 .33 .13 0.300 8 8 8 8 12.5 9021.429 22.37 12.10 0.317 -0.069 6.1 0.000 0.635 0.00-.08 .10 .06 .48 .26 .19 0.330 11 11 11 11 9.1 40309.226 70.67 13.16 0.339 -0.287 18.3 0.000 0.679 0.00 .04 .10-.00 .16 .19 .07 0.360 5 5 5 5 0.0 9428.360 25.69 12.59 0.379 -0.122 8.1 0.000 0.758 0.00 .08 .02-.02 .23 .12 .10 0.390 4 4 4 4 25.0 13681.296 30.71 12.02 0.394 -0.389 9.3 0.000 0.789 0.00-.04 .21-.03 .14 .37 .12 0.420 4 4 4 4 0.0 8676.414 22.24 13.52 0.428 -0.117 7.0 0.000 0.857 0.00-.00 .19 .10 .20 .21 .20 0.450 4 4 4 4 0.0 3733.504 13.62 12.41 0.470 -0.470 6.0 0.000 0.941 0.00 .04 .02 .01 .18 .21 .10 0.480 2 2 2 2 0.0 1794.832 6.99 12.16 0.507 -0.507 2.9 0.000 1.015 0.00-.19 .13-.04 .36 .21 .10 0.510 3 3 3 3 0.0 9484.300 29.13 12.63 0.528 -0.528 14.8 0.000 1.055 0.00-.09 .45 .03 .34 .49 .07 0.540 3 3 3 3 0.0 10477.867 26.47 12.52 0.546 -0.546 12.7 0.000 1.093 0.00-.15 .20 .09 .26 .27 .13 0.570 17 17 17 17 29.4 3551.115 14.21 12.31 0.917 -0.917 12.6 0.000 1.835 0.00-.14 .03 .04 .44 .40 .15 0.600 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 28 28 28 28 17.9 4778.812 17.49 12.36 0.704 -0.704 11.4 0.000 1.407 0.00-.13 .10 .04 .38 .37 .13 -0.460 3 3 3 3 0.0 9142.386 22.99 13.65 0.428 -0.428 6.9 0.000 0.855 0.00 .03 .13 .05 .24 .22 .23 -0.420 4 4 4 4 0.0 21294.075 40.42 12.41 0.390 -0.390 14.6 0.000 0.781 0.00-.09 .19 .04 .14 .37 .07 -0.380 4 4 4 4 0.0 42943.325 76.08 13.32 0.346 -0.346 21.1 0.000 0.691 0.00 .19 .11-.04 .22 .25 .09 -0.340 7 7 7 7 0.0 40279.414 65.72 12.81 0.331 -0.331 16.5 0.000 0.662 0.00-.08 .21 .01 .26 .29 .06 -0.300 10 10 10 10 0.0 62337.710 103.29 12.94 0.283 -0.283 23.3 0.000 0.565 0.00 .21 .04-.07 .37 .34 .13 -0.260 16 16 16 16 0.0 28711.981 60.49 12.22 0.249 -0.249 11.6 0.000 0.499 0.00 .11 .08-.10 .47 .35 .19 -0.220 14 14 14 14 0.0 52310.571 74.24 12.10 0.202 -0.202 12.4 0.000 0.403 0.00 .17 .12-.04 .31 .22 .09 -0.180 17 17 17 17 0.0 45347.165 72.60 13.09 0.156 -0.156 10.0 0.000 0.312 0.00 .33 .07-.04 1.3 .32 .09 -0.140 22 22 22 22 0.0 53927.725 75.16 13.22 0.122 -0.122 6.8 0.000 0.244 0.00 .06 .12-.01 .21 .19 .09 -0.100 27 27 27 27 0.0 53538.463 74.62 13.50 0.075 -0.075 4.8 0.000 0.150 0.00 .19 .13 .00 .63 .21 .09 -0.060 48 48 48 48 0.0 63793.913 84.67 13.40 0.041 -0.041 2.9 0.000 0.081 0.00 .09 .13-.04 .18 .24 .19 -0.020 33 17 17 33 0.0 66489.330 93.70 12.23 0.009 0.001 0.6 0.000 0.020 0.00 .06 .03-.02 .66 .67 .15 0.020 55 55 55 55 0.0 68885.675 86.86 13.59 0.041 0.041 3.1 0.000 0.081 0.00 .05 .14-.02 .17 .22 .12 0.060 34 34 34 34 0.0 58382.662 79.47 13.30 0.080 0.080 4.8 0.000 0.160 0.00 .09 .11-.03 .30 .25 .09 0.100 28 28 28 28 0.0 68997.979 89.17 12.99 0.117 0.117 8.9 0.000 0.235 0.00 .06 .11-.00 .19 .20 .07 0.140 33 33 33 33 0.0 61703.470 88.72 12.56 0.163 0.163 11.2 0.000 0.327 0.00 .27-.02-.06 1.4 .78 .37 0.180 16 16 16 16 0.0 75904.531 97.85 13.20 0.198 0.198 15.5 0.000 0.396 0.00 .06 .04 .01 .16 .11 .07 0.220 13 13 13 13 0.0 13541.881 32.94 12.62 0.240 0.240 6.4 0.000 0.479 0.00 .08-.04-.01 .22 .31 .13 0.260 5 5 5 5 0.0 29224.840 62.24 13.10 0.276 0.276 17.0 0.000 0.551 0.00 .19-.02-.07 .24 .23 .08 0.300 5 5 5 5 40.0 5825.764 16.40 11.87 0.312 0.312 4.0 0.000 0.625 0.00-.05-.00 .09 .54 .13 .23 0.340 6 6 6 6 0.0 7869.900 21.84 12.72 0.358 0.358 7.7 0.000 0.716 0.00-.00-.00-.01 .20 .10 .09 0.380 2 2 2 2 50.0 1093.091 4.17 12.19 0.386 0.386 1.5 0.000 0.773 0.00 .20 .12-.14 .22 .12 .16 0.420 2 2 2 2 0.0 6125.450 16.53 12.84 0.441 0.441 6.6 0.000 0.883 0.00 .09 .14 .05 .18 .16 .11 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_13.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 57 29 29 57 10.5 17827.237 37.76 12.09 0.013 0.000 0.5 0.000 0.026 0.00 .02 .05-.02 .55 .54 .23 1.000 49 27 27 49 0.0 23106.683 45.74 12.68 0.032 -0.000 1.4 0.000 0.056 0.00 .32 .02-.04 1.2 .67 .34 2.000 63 38 38 63 0.0 35244.224 56.31 12.62 0.043 0.006 2.5 0.000 0.083 0.00 .20 .09-.04 .72 .27 .11 3.000 42 30 30 42 2.4 44668.926 68.43 12.82 0.051 0.004 3.5 0.000 0.117 0.00 .03 .04-.02 .26 .25 .10 4.000 37 29 29 37 2.7 44780.223 63.73 12.96 0.070 0.011 4.5 0.000 0.154 0.00 .03 .15 .00 .18 .22 .07 5.000 27 23 23 27 0.0 43865.289 67.32 12.75 0.083 -0.008 5.6 0.000 0.174 0.00 .10 .17-.03 .30 .29 .08 6.000 19 18 18 19 0.0 57198.616 84.38 13.37 0.078 0.021 6.6 0.000 0.154 0.00 .02 .13-.03 .27 .25 .10 7.000 17 16 16 17 0.0 63811.553 89.02 13.25 0.084 0.007 7.5 0.000 0.166 0.00 .08 .08-.01 .20 .16 .06 8.000 13 13 13 13 0.0 44879.854 60.18 12.52 0.140 0.010 8.4 0.000 0.280 0.00 .09 .07 .00 .18 .20 .06 9.000 17 15 15 17 0.0 81349.282 96.82 12.95 0.099 -0.006 9.6 0.000 0.227 0.00-.00 .09-.01 .21 .22 .06 10.000 13 12 12 13 0.0 61336.161 85.64 13.03 0.122 0.027 10.5 0.000 0.284 0.00 .08 .13-.01 .12 .22 .04 11.000 8 7 7 8 0.0 106199.18 110.95 14.28 0.104 0.053 11.5 0.000 0.214 0.00 .05 .09-.02 .11 .15 .05 12.000 6 5 5 6 0.0 131328.22 124.91 14.75 0.101 -0.011 12.6 0.000 0.222 0.00 .09 .10-.01 .16 .19 .03 13.000 6 6 6 6 0.0 32866.983 49.46 11.94 0.271 -0.271 13.4 0.000 0.542 0.00-.19 .32 .04 .51 .41 .10 14.000 3 3 3 3 0.0 45466.068 78.25 12.72 0.186 -0.053 14.6 0.000 0.373 0.00-.04 .11-.03 .06 .17 .07 15.000 8 8 8 8 0.0 38551.187 68.55 13.82 0.226 0.041 15.6 0.000 0.452 0.00 .01-.01 .04 .12 .25 .13 16.000 3 3 3 3 0.0 141411.70 142.25 15.52 0.116 0.073 16.5 0.000 0.232 0.00 .00 .08-.03 .06 .14 .05 17.000 3 3 3 3 0.0 40295.101 67.71 15.13 0.261 -0.261 17.6 0.000 0.522 0.00-.05 .35-.03 .13 .42 .08 18.000 1 1 1 1 0.0 254545.00 168.68 15.58 0.111 -0.111 18.8 0.000 0.223 0.00-.02 .18-.06 .02 .18 .06 19.000 1 1 1 1 0.0 53730.301 65.17 13.20 0.300 -0.300 19.5 0.000 0.600 0.00 .05-.02 .06 .05 .02 .06 20.000 2 2 2 2 0.0 97649.250 144.12 13.75 0.141 0.094 20.3 0.000 0.282 0.00 .16-.03-.03 .19 .09 .03 21.000 4 4 4 4 0.0 83185.300 111.98 13.40 0.192 0.120 21.5 0.000 0.383 0.00-.07 .05-.00 .09 .10 .05 22.000 2 2 2 2 0.0 205324.00 184.89 16.21 0.124 0.013 23.0 0.000 0.249 0.00 .04 .19-.07 .04 .20 .09 23.000 1 1 1 1 0.0 128483.00 115.44 13.88 0.200 0.200 23.1 0.000 0.401 0.00-.07-.06-.05 .07 .06 .05 24.000 30 18 18 30 0.0 144070.74 169.72 14.41 0.213 -0.026 37.3 0.000 0.476 0.00 .08 .13-.02 .13 .24 .07 25.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 695 216 479 432 1.9 50008.422 78.60 12.67 0.110 0.000 7.5 0.000 0.231 0.00 .15 .10-.02 .66 .41 .17 1.000 Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 71 0 71 0 2.8 50203.936 72.69 13.45 0.000 0.000 0.0 0.000 0.000 0.00 .17 .04-.03 .74 .31 .13 1.000 Coverage Statistics Integration of neal054 ...1.1(1): component 1 in sample 1 (component 1 in neal054_13.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.894 75 164 45.73 1.44 0.102 33 20.12 0.102 181.25 0.0 to 1.504 141 324 43.52 1.48 0.114 68 20.99 0.132 105.98 1.0 to 1.314 201 481 41.79 1.51 0.109 102 21.21 0.087 67.55 1.1 to 1.194 249 632 39.40 1.51 0.106 128 20.25 0.082 54.76 5.4 to 1.108 301 788 38.20 1.51 0.106 155 19.67 0.110 40.96 2.5 to 1.043 343 935 36.68 1.51 0.109 174 18.61 0.168 39.00 3.3 to 0.991 387 1095 35.34 1.50 0.109 192 17.53 0.123 27.36 1.6 to 0.948 425 1250 34.00 1.48 0.110 204 16.32 0.158 27.17 2.0 to 0.911 456 1393 32.74 1.46 0.110 212 15.22 0.145 25.52 2.6 to 0.880 479 1552 30.86 1.45 0.110 216 13.92 0.082 19.17 0.0