SAINT V7.16B SAINT C:\SAXI\SAINT32\Int.slm /BATCH /NOPROMPT /SCALES:1020 !==================================================== !04/06/05 10:38:11 INTEGRATE /TITLE=klat083 & C:\frames\klat083\klat0831.001,klat0832.001,klat0833.001,klat0834.001 & /ORIENTATION=C:\frames\klat083\klat0831.p4p,klat0832.p4p,klat0833.p4p,klat0834.p4p & /SPATIAL=$P4P /TIMEOUT=0.00 /NFRAMES=606,600,600,400 /EXPOSURE=0.00 & /TTM=12.17 /ROLL=0.00 /BATCH=1 /CRYSTAL=1 & C:\frames\klat083\work\klat0831.raw,klat0832.raw,klat0833.raw,klat0834.raw & /SNAP=100 /RESOLUTION=0.750 /IOVSIGMA=-3.0 /VERBOSITY=1 & /POINTGROUP="2/mB" /LATTICE=0 /XSIZE=0.660 /YSIZE=0.660 /ZSIZE=0.430 & /STRONG=10.0 /LSFIT /LSFREQ=50 /K1=3 /L1=512 /GLOBAL /K2=3 /L2=0 & /NORESIZE /TPROF=0.050 /LTHR=8.00 /LRES=9999.000 /ORTUPDSCALE=1.00 & /GREFLIM=1024 /BGSIG=3.00 /ACTTHRESH=0.00 /BGCSCALE=0 /BGQSCALE=6 & /AMNAME=$NEW /MACHINE_ERROR=0.000 /ESDSCALE=1.000 /2THETA=-9999.000 & /OMEGA=-9999.000 /PHI=-9999.000 /CHI=-9999.000 /NEXP=-9999 /IAXIS=-9999 & /WIDTH=-9999.000 /OVRTIME=-9999.0000 /ALPHA12 /TWINBOXRATIO=1.800 & /VOLTARGET=1.000 /VOLANGSTROMS=1.000 /QUEUEHALF=7 /PROFXHALF=4 & /PROFYHALF=4 /PROFZHALF=4 /LORENTZ=0.0200 /LORMODEL=0.0750 /MAXSATIND=1 & /TWINSEPARATION=1.000 /TWINMINCOMVOL=0.0400 /GRLVERR=0.0250 Multiple runs have been specified: (current run indicated with "*") FRAME MATRIX OUTPUT #FRAMES s\klat083\klat0831.001 s\klat083\klat0831.p4p t083\work\klat0831.raw 606 *s\klat083\klat0832.001 s\klat083\klat0832.p4p t083\work\klat0832.raw 600 s\klat083\klat0833.001 s\klat083\klat0833.p4p t083\work\klat0833.raw 600 s\klat083\klat0834.001 s\klat083\klat0834.p4p t083\work\klat0834.raw 400 Current batch number is 2 klat083 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 CCD DETECTOR PARAMETERS ------------------ Detector type = 1 was obtained from CONFIGURE menu Multiwire reference correction will be disabled Read noise (e-): 24.04 (from CONFIGURE menu) Electrons per A/D unit: 10.70 (from CONFIGURE menu) Electrons per x-ray photon: 175.00 (from CONFIGURE menu) Base offset per exposure: 16 (from CONFIGURE menu) Per-exposure full scale: 838848 (from CONFIGURE menu) Nominal pixels per CM: 83.660 (from CONFIGURE menu) CM from face to imaging plane: 0.000 (from CONFIGURE menu) Fiducial spot spacing(CM): 0.254 (from CONFIGURE menu) Faceplate transmittance : 0.9770 (from CONFIGURE menu) Air absorption (per CM) : 0.0012 (from CONFIGURE menu) Active pixel threshold: 0.000 (from Advanced menu) 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 ================== 04/06/05 10:38:11 Initial background range (deg) = 12.00 Number of BG pixels >= 64K: 0 Initial BG frame written to klat0832._ib Nominal time per frame (s): 30.104 Intensity normalization in deg/min: 0.598079 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 04/06/05 10:38:13 Orientation for 1 component(s) read from C:\frames\klat083\klat0832.p4p ... Component 1 of 1 ... Orientation ("UB") matrix: 0.0383795 0.0133658 0.0242980 0.0107785 -0.0356051 0.0152181 0.0188216 -0.0068647 -0.0316224 Unit Cell: A B C Alpha Beta Gamma 23.5347 25.8761 24.3065 90.000 105.453 90.000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.775 0.361 0.055 0.273 0.552 0.025 Goniometer zeros (deg): 0.0000 0.0362 0.0000 0.0578 Crystal translations (pixels): 0.0000 0.0000 0.0000 ... End component 1 of 1 ... Mean, a1, a2 wavelengths (Angstroms): 0.71073 0.70930 0.71359 Nominal detector distance (cm): 6.011 X,Y beam center @swing=0 (pixels): 258.30 261.21 Reading spatial correction from C:\frames\klat083\klat0832.p4p Single-detector spatial correction will be used Active pixel mask ================== 04/06/05 10:38:13 Active pixel mask written to klat0832._am Scan axis is 2 Direction cosines of rotation axis: 0.000 0.000 1.000 Starting frame angles (degrees): 332.000 146.000 180.000 54.825 Exposures per frame: 2 Fraction of I to be combined with output sigmas: 0.000 Maximum number of frames to be processed: 600 Narrow-frame algorithm 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 Lorentz cutoff for exclusion from output: 0.0200 Lorentz cutoff for exclusion from model profiles: 0.0750 Initial orientation and spot-shape refinement ============== 04/06/05 10:38:13 Spatially corrected beam center: 258.30 261.21 Input X,Y,Z spot spread (deg): 0.660 0.660 0.430 Scale for orientation update length: 1.000E+00 #Frames running average for orientation update: 9 Frames between full refinements of orientation: 50 #Frames in BG running avg (correlation length): 16 Nominal frame width in degrees: 0.300 Pixel spacing (deg): 0.114 Profile X,Y,Z spacing (deg): 0.114 0.114 0.300 Profile convolver halfwidth: 2.0 2.0 3.0 Profile convolver expansion: 0.863 0.863 2.093 Rescan threshold is top of A/D conversion range Background pixels updated = 78.37% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0 .001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.66 0.66 0.43 1.000 1 .002 3 0.01 0.01 0.11 0.41 0.16 0.13 4.0386 1 67 0.39 12 0.66 0.66 0.43 1.000 2 .003 73 -0.06 0.02 0.02 0.48 0.47 0.19 26.931 4 41 0.45 19 0.66 0.66 0.43 1.000 3 .004 67 -0.05 0.07 0.07 0.58 0.43 0.20 31.683 4 37 0.55 19 0.66 0.66 0.43 1.000 4 .005 77 -0.08 -0.02 -0.00 0.57 0.45 0.20 38.44 5 39 0.53 18 0.66 0.66 0.43 1.000 5 .006 58 -0.29 0.08 0.04 1.36 0.52 0.19 28.107 4 38 0.56 19 0.66 0.66 0.43 1.000 6 .007 86 -0.00 0.11 0.02 0.64 0.58 0.22 26.968 4 38 0.56 19 0.66 0.66 0.43 1.000 7 .008 55 -0.10 -0.02 -0.03 0.84 0.69 0.19 19.164 3 51 0.49 19 0.66 0.66 0.43 1.000 8 .009 73 -0.15 0.12 0.00 0.56 0.44 0.23 25.693 4 44 0.53 19 0.66 0.66 0.43 1.000 9 .010 68 0.07 0.07 -0.03 0.46 0.55 0.22 23.606 4 44 0.57 19 0.66 0.66 0.43 1.000 10 .011 71 0.04 0.02 -0.03 0.68 0.36 0.19 19.889 3 44 0.50 18 0.66 0.66 0.43 1.000 11 .012 70 -0.22 0.17 0.03 1.06 0.74 0.22 17.112 2 54 0.51 18 0.66 0.66 0.43 1.000 12 .013 76 -0.10 0.08 0.01 0.72 0.47 0.22 35.971 4 34 0.55 19 0.66 0.66 0.43 1.000 13 .014 59 -0.04 0.05 -0.01 0.36 0.47 0.19 33.325 5 41 0.57 20 0.66 0.66 0.43 1.000 14 .015 66 -0.05 0.06 0.04 0.67 0.72 0.21 35.12 5 27 0.57 20 0.66 0.66 0.43 1.000 15 .016 61 -0.06 -0.02 0.03 0.55 0.45 0.20 24.761 3 39 0.56 19 0.66 0.66 0.43 1.000 16 .017 73 -0.33 -0.00 -0.01 1.29 0.97 0.22 19.044 3 41 0.53 19 0.66 0.66 0.43 1.000 17 .018 63 -0.31 -0.05 0.05 0.90 0.84 0.21 19.444 3 44 0.49 17 0.66 0.66 0.43 1.000 18 .019 74 -0.08 0.07 0.03 0.85 0.43 0.22 20.593 3 43 0.55 19 0.66 0.66 0.43 1.000 19 .020 65 0.03 -0.00 0.01 0.65 0.31 0.21 24.153 3 49 0.46 18 0.66 0.66 0.43 1.000 Background pixels updated = 78.37% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 72 -0.00 0.07 0.00 0.57 0.45 0.21 28.377 3 35 0.52 19 0.66 0.66 0.43 1.000 21 .022 68 -0.19 0.20 0.01 0.61 0.44 0.23 38.569 3 46 0.57 19 0.66 0.66 0.43 1.000 22 .023 53 -0.18 -0.01 0.01 0.97 0.38 0.24 25.279 3 40 0.55 20 0.66 0.66 0.43 1.000 23 .024 83 -0.15 0.21 0.04 1.03 0.61 0.22 23.218 2 52 0.54 17 0.66 0.66 0.43 1.000 24 .025 55 -0.15 -0.11 0.00 0.81 0.47 0.19 20.58 3 44 0.55 19 0.66 0.66 0.43 1.000 25 .026 72 0.00 -0.07 -0.03 0.59 0.56 0.21 16.037 3 44 0.50 20 0.66 0.66 0.43 1.000 26 .027 76 -0.09 0.03 0.01 0.76 0.72 0.22 20.875 3 45 0.48 19 0.66 0.66 0.43 1.000 27 .028 59 -0.01 0.08 0.02 0.59 0.51 0.20 31.352 3 47 0.52 18 0.66 0.66 0.43 1.000 28 .029 71 -0.18 0.18 0.03 1.06 0.78 0.23 24.764 3 38 0.53 18 0.66 0.66 0.43 1.000 29 .030 72 0.01 0.08 -0.05 0.69 0.46 0.20 58.042 4 36 0.56 18 0.66 0.66 0.43 1.000 30 .031 60 -0.20 0.09 0.02 0.59 0.60 0.23 18.012 2 58 0.48 19 0.66 0.66 0.43 1.000 31 .032 73 -0.06 -0.03 0.03 0.50 0.40 0.22 13.122 2 58 0.50 19 0.66 0.66 0.43 1.000 32 .033 74 -0.03 0.05 -0.02 0.72 0.65 0.23 19.504 2 47 0.53 18 0.66 0.66 0.43 1.000 33 .034 60 0.03 0.10 0.02 0.58 0.46 0.16 25.848 4 38 0.60 18 0.66 0.66 0.43 1.000 34 .035 71 -0.25 -0.02 0.04 0.79 0.59 0.25 21.43 3 39 0.60 19 0.66 0.66 0.43 1.000 35 .036 71 -0.16 -0.01 0.01 0.90 0.72 0.24 22.778 3 27 0.54 18 0.66 0.66 0.43 1.000 36 .037 68 -0.06 0.07 -0.03 0.53 0.46 0.20 24.733 3 38 0.55 19 0.66 0.66 0.43 1.000 37 .038 61 -0.05 0.04 0.02 0.48 0.38 0.18 45.31 4 41 0.54 18 0.66 0.66 0.43 1.000 38 .039 71 -0.00 0.04 0.01 0.61 0.36 0.18 25.346 3 35 0.54 20 0.66 0.66 0.43 1.000 39 .040 74 -0.15 0.10 0.00 0.82 0.57 0.20 22.434 3 32 0.54 19 0.66 0.66 0.43 1.000 Background pixels updated = 79.05% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 65 -0.16 0.03 -0.02 0.73 0.48 0.19 19.596 3 49 0.53 17 0.66 0.66 0.43 1.000 41 .042 67 -0.12 0.04 -0.03 0.75 0.49 0.23 16.654 3 43 0.48 18 0.66 0.66 0.43 1.000 42 .043 76 -0.10 -0.00 0.03 0.82 0.56 0.22 23.602 3 36 0.55 19 0.66 0.66 0.43 1.000 43 .044 75 -0.19 -0.05 0.00 0.92 0.87 0.20 33.758 3 40 0.54 17 0.66 0.66 0.43 1.000 44 .045 62 -0.11 0.21 -0.01 0.83 0.60 0.21 40.564 4 44 0.56 19 0.66 0.66 0.43 1.000 45 .046 60 -0.25 0.18 -0.01 1.20 0.69 0.19 53.975 4 47 0.58 20 0.66 0.66 0.43 1.000 46 .047 76 -0.01 0.04 0.03 0.58 0.35 0.20 16.018 2 45 0.49 17 0.66 0.66 0.43 1.000 47 .048 59 -0.09 0.03 0.01 0.51 0.55 0.17 18.202 3 39 0.57 18 0.66 0.66 0.43 1.000 48 .049 79 -0.11 0.08 -0.00 0.81 0.57 0.17 22.41 3 42 0.53 18 0.66 0.66 0.43 1.000 49 .050 61 -0.25 0.13 0.04 1.03 0.79 0.26 20.827 3 43 0.52 20 0.66 0.66 0.43 1.000 50 .051 79 -0.29 -0.01 0.02 1.12 0.48 0.22 16.09 2 47 0.54 19 0.66 0.66 0.43 1.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.99951; Maximum = 0.012846 !Averaged profile: Section 1->3 0 1 1 1 1 1 1 1 0 1 2 2 2 2 2 3 2 1 2 4 4 4 4 5 5 4 2 1 1 1 1 1 2 2 2 1 2 4 4 4 4 4 5 4 2 4 8 9 9 9 9 10 8 3 1 2 2 2 2 2 2 2 1 2 5 6 7 7 6 5 4 2 5 10 13 16 16 13 11 8 4 1 2 3 3 3 3 2 2 1 2 6 9 13 13 9 6 4 2 5 12 21 32 32 22 13 9 4 1 2 3 5 4 3 2 2 1 2 7 12 18 19 13 7 5 2 5 14 28 46 48 31 16 10 4 1 2 3 4 4 3 2 2 1 2 7 11 17 17 12 7 5 2 5 13 25 41 43 29 15 9 5 1 2 2 3 3 2 2 1 1 2 5 8 10 11 7 5 4 2 4 10 16 23 25 17 10 8 4 1 1 2 2 2 2 1 1 0 2 4 5 6 6 5 4 3 1 3 8 9 11 12 10 8 6 3 0 0 1 1 1 1 1 1 0 1 2 2 2 2 2 2 2 1 2 3 4 4 4 5 4 3 1 !Averaged profile: Section 4->6 3 5 6 5 5 6 7 5 2 3 6 6 6 6 7 8 6 3 2 5 5 5 5 6 7 6 3 5 11 12 13 13 13 13 11 5 6 12 14 15 15 16 16 13 6 4 10 12 13 14 14 14 12 6 6 14 19 25 25 20 15 12 5 6 15 22 30 30 24 18 14 6 5 12 19 27 28 22 16 12 6 6 17 33 52 54 36 19 12 5 7 19 38 63 66 44 23 14 7 6 16 33 55 59 39 20 12 6 6 20 43 76 82 53 24 14 6 7 22 51 91100 65 29 16 7 7 20 43 78 88 59 26 14 6 6 18 38 66 73 49 23 13 6 7 20 43 77 89 61 28 15 7 7 18 36 65 77 55 26 14 6 5 13 22 35 39 28 16 11 5 6 15 25 40 46 35 20 12 6 6 13 20 33 40 33 19 12 5 5 10 13 15 17 15 11 8 4 6 12 14 17 19 18 13 10 5 5 10 12 14 17 16 13 10 5 2 5 5 5 6 6 5 4 2 3 6 6 6 7 7 6 5 2 3 5 5 5 6 6 6 5 2 !Averaged profile: Section 7->9 2 4 4 4 4 4 5 5 2 1 2 2 2 2 2 2 2 1 0 1 1 1 1 1 1 1 0 3 6 8 9 10 10 10 9 5 1 3 4 5 5 5 5 5 2 0 1 1 2 1 1 1 2 1 3 8 12 18 19 15 11 9 5 1 3 5 8 8 7 5 4 2 0 1 2 2 2 2 2 1 1 4 11 21 35 38 26 14 9 4 2 5 9 15 16 11 6 4 2 1 1 2 4 4 3 2 1 1 5 13 27 48 55 38 18 9 4 3 6 12 20 23 16 8 4 2 1 2 3 5 5 4 2 1 1 5 13 23 40 49 36 18 10 4 3 6 10 16 20 16 8 5 2 1 2 3 4 5 4 2 1 1 4 10 13 21 26 22 14 8 4 2 5 6 9 12 10 7 4 2 1 2 2 3 3 3 2 1 1 4 8 9 10 12 12 10 8 3 2 4 4 5 6 6 5 4 2 1 2 2 2 2 2 2 1 1 2 4 4 4 5 5 5 4 2 1 2 2 2 3 3 2 2 1 0 1 1 1 1 1 1 1 0 Orientation least squares, component 1 (148 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 148 0 148 7.6633 0.8157 5.316 51.652 A B C Alpha Beta Gamma Vol 23.4875 25.8797 24.3343 90.000 105.492 90.000 14254.15 0.0151 0.0090 0.0115 0.000 0.025 0.000 21.32 Corrected for goodness of fit: 0.0343 0.0204 0.0262 0.000 0.056 0.000 48.53 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.220 152.429 67.473 Goniometer zeros (deg): 0.0000 0.1004 0.0000 0.0532 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.496 0.576 0.050 0.215 0.590 0.190 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 2.58770e+003 2.22329e+003 2.28 3 0 Repeat orientation and spot-shape refinement ============= 04/06/05 10:38:23 Pixel spacing (deg): 0.114 Profile X,Y,Z spacing (deg): 0.114 0.114 0.300 Profile convolver halfwidth: 2.0 2.0 3.0 Profile convolver expansion: 0.863 0.863 2.093 Rescan threshold is top of A/D conversion range Background pixels updated = 78.91% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0 .001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.78 0.62 0.52 1.000 1 .002 5 -0.17 0.06 0.08 0.54 0.47 0.11 7.4048 2 40 0.30 13 0.78 0.62 0.52 1.000 2 .003 70 -0.12 -0.05 0.02 0.48 0.46 0.20 19.01 2 61 0.48 18 0.78 0.62 0.52 1.000 3 .004 71 -0.13 0.01 0.04 0.52 0.46 0.18 19.172 3 49 0.53 19 0.77 0.60 0.54 1.000 4 .005 71 -0.13 -0.02 -0.03 0.52 0.48 0.21 19.327 3 49 0.52 18 0.76 0.60 0.55 1.000 5 .006 61 -0.20 -0.03 0.03 0.97 0.44 0.20 21.62 3 44 0.50 19 0.76 0.60 0.55 1.000 6 .007 86 -0.17 0.07 0.02 0.87 0.60 0.22 16.34 2 48 0.51 19 0.78 0.62 0.55 1.000 7 .008 55 -0.21 -0.07 -0.00 0.90 0.71 0.22 12.292 2 58 0.48 19 0.78 0.62 0.55 1.000 8 .009 72 -0.18 0.03 -0.01 0.53 0.35 0.22 17.029 2 54 0.50 19 0.77 0.63 0.55 1.000 9 .010 71 -0.04 0.07 -0.02 0.53 0.60 0.23 14.28 2 51 0.52 19 0.78 0.63 0.55 1.000 10 .011 67 -0.06 0.02 -0.01 0.63 0.41 0.22 13.066 2 55 0.48 18 0.78 0.63 0.55 1.000 11 .012 70 -0.20 0.05 0.03 0.96 0.69 0.20 9.5383 1 64 0.47 18 0.78 0.62 0.55 1.000 12 .013 74 -0.18 0.06 -0.00 0.71 0.60 0.22 26.432 3 50 0.49 18 0.77 0.62 0.55 1.000 13 .014 65 -0.12 -0.02 -0.02 0.47 0.44 0.18 24.885 3 51 0.53 20 0.77 0.62 0.55 1.000 14 .015 60 -0.14 0.04 0.01 0.72 0.75 0.22 23.614 3 42 0.51 20 0.77 0.62 0.55 1.000 15 .016 64 -0.06 -0.08 0.01 0.54 0.46 0.20 20.031 3 44 0.52 18 0.77 0.62 0.55 1.000 16 .017 72 -0.28 -0.05 -0.04 0.97 0.83 0.21 9.8596 2 50 0.45 18 0.77 0.62 0.55 1.000 17 .018 58 -0.29 -0.04 0.04 0.71 0.49 0.20 17.05 2 48 0.52 18 0.77 0.62 0.55 1.000 18 .019 81 -0.19 0.09 0.04 0.92 0.52 0.21 14.991 2 53 0.50 19 0.77 0.62 0.55 1.000 19 .020 61 0.03 0.01 -0.02 0.56 0.34 0.20 10.97 2 52 0.44 18 0.78 0.62 0.56 1.000 Background pixels updated = 78.81% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 71 -0.10 0.05 0.01 0.66 0.39 0.21 28.445 3 46 0.49 20 0.78 0.62 0.56 1.000 21 .022 67 -0.12 0.13 0.04 0.49 0.40 0.21 35.587 3 52 0.55 19 0.77 0.62 0.55 1.000 22 .023 59 -0.18 0.05 0.02 0.82 0.52 0.25 18.963 2 53 0.51 18 0.77 0.62 0.55 1.000 23 .024 86 -0.32 0.09 0.02 1.24 0.54 0.20 16.795 2 58 0.52 18 0.77 0.62 0.55 1.000 24 .025 51 -0.23 -0.13 0.05 0.80 0.46 0.22 14.768 2 53 0.50 19 0.77 0.62 0.56 1.000 25 .026 72 -0.05 -0.05 0.02 0.56 0.51 0.21 12.835 2 50 0.49 19 0.77 0.62 0.56 1.000 26 .027 73 -0.10 -0.04 0.02 0.74 0.68 0.21 16.67 2 56 0.48 19 0.77 0.62 0.56 1.000 27 .028 63 -0.01 0.06 -0.02 0.53 0.55 0.20 27.449 3 41 0.50 18 0.77 0.62 0.56 1.000 28 .029 74 -0.13 0.03 0.05 0.77 0.47 0.18 20.847 3 38 0.48 18 0.77 0.62 0.56 1.000 29 .030 67 -0.12 0.09 -0.01 0.82 0.68 0.23 53.32 4 48 0.54 18 0.78 0.62 0.56 1.000 30 .031 64 -0.17 0.06 0.01 0.78 0.38 0.23 18.61 2 58 0.47 18 0.77 0.62 0.56 1.000 31 .032 69 -0.03 0.04 0.02 0.52 0.60 0.19 10.29 2 67 0.50 19 0.78 0.62 0.56 1.000 32 .033 75 -0.05 -0.00 -0.06 0.76 0.63 0.21 15.741 2 61 0.53 18 0.78 0.62 0.56 1.000 33 .034 62 0.02 0.04 0.01 0.48 0.42 0.19 21.676 3 40 0.56 19 0.78 0.62 0.56 1.000 34 .035 74 -0.33 -0.07 0.02 1.03 0.69 0.22 16.356 2 41 0.56 19 0.78 0.62 0.56 1.000 35 .036 70 -0.21 0.05 0.01 0.98 0.74 0.26 17.893 3 31 0.48 18 0.78 0.62 0.56 1.000 36 .037 66 -0.04 0.01 -0.02 0.47 0.37 0.19 21.143 3 52 0.52 18 0.77 0.62 0.56 1.000 37 .038 67 -0.13 -0.01 0.00 0.59 0.42 0.20 37.501 3 54 0.52 17 0.77 0.62 0.56 1.000 38 .039 64 0.02 -0.02 -0.00 0.56 0.34 0.22 23.829 3 44 0.55 21 0.77 0.62 0.56 1.000 39 .040 80 -0.08 0.14 -0.04 0.65 0.50 0.19 16.673 3 44 0.48 19 0.77 0.61 0.56 1.000 Background pixels updated = 79.27% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 64 -0.19 -0.03 -0.03 0.82 0.47 0.22 16.036 2 50 0.51 17 0.77 0.61 0.56 1.000 41 .042 67 -0.09 0.01 0.00 0.69 0.47 0.23 15.401 2 43 0.45 18 0.78 0.62 0.56 1.000 42 .043 73 -0.15 -0.02 0.04 0.84 0.57 0.23 21.483 3 36 0.53 19 0.78 0.62 0.56 1.000 43 .044 77 -0.17 -0.11 -0.00 0.88 0.81 0.20 32.369 3 36 0.52 18 0.78 0.62 0.56 1.000 44 .045 61 -0.09 0.19 -0.04 0.79 0.66 0.23 16.851 3 56 0.51 19 0.78 0.62 0.56 1.000 45 .046 59 -0.16 0.10 -0.05 0.95 0.49 0.22 72.807 5 49 0.53 18 0.78 0.62 0.56 1.000 46 .047 75 -0.06 0.10 0.03 0.74 0.56 0.22 12.528 2 49 0.47 18 0.78 0.62 0.56 1.000 47 .048 62 -0.07 0.07 -0.02 0.61 0.50 0.20 16.414 3 44 0.53 18 0.78 0.62 0.56 1.000 48 .049 72 -0.08 0.05 -0.01 0.77 0.55 0.23 21.2 3 43 0.52 19 0.78 0.62 0.56 1.000 49 .050 64 -0.28 0.12 0.01 1.15 0.90 0.22 16.617 3 41 0.46 19 0.78 0.62 0.56 1.000 50 .051 80 -0.28 -0.06 0.06 1.00 0.50 0.24 16.353 2 45 0.50 19 0.78 0.62 0.56 1.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.997833; Maximum = 0.0206441 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 2 4 4 3 1 1 1 0 0 1 1 1 0 0 0 0 1 2 2 4 5 3 1 1 0 1 3 8 12 13 9 4 1 1 0 1 1 1 1 1 0 0 0 1 2 5 9 11 7 3 1 0 1 6 14 27 31 21 8 3 1 0 1 1 2 3 1 0 0 0 1 2 7 13 15 10 4 1 0 1 6 18 35 43 29 12 3 1 0 0 1 2 2 1 1 0 0 0 2 5 10 12 8 3 1 0 1 5 14 28 35 24 10 3 1 0 0 1 1 1 1 0 0 0 0 1 2 5 6 4 1 1 0 1 2 7 14 16 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 0 1 2 3 5 5 3 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 1 0 0 0 !Averaged profile: Section 4->6 1 1 1 1 1 1 1 0 0 1 1 2 2 2 1 1 1 0 1 1 2 1 1 1 1 1 1 1 3 5 7 7 5 3 1 1 1 3 6 9 9 7 4 2 1 1 3 5 7 7 5 3 2 1 2 6 13 22 25 17 8 3 1 2 7 15 27 31 22 10 4 1 1 5 12 23 26 18 9 4 1 2 9 25 49 58 40 17 5 1 2 10 30 60 73 51 21 6 1 1 8 24 50 61 43 18 5 1 2 11 32 66 81 56 23 6 1 3 12 38 80100 71 29 8 2 1 9 31 66 84 60 25 7 1 1 8 24 51 64 46 19 6 1 2 9 29 62 79 58 25 7 1 1 8 23 51 66 50 22 7 1 1 5 12 24 30 22 10 4 1 1 5 14 28 36 28 13 5 1 1 4 11 23 30 24 12 5 1 1 2 5 8 8 6 3 1 0 1 3 5 8 10 8 5 2 0 1 2 4 7 9 8 5 2 1 0 1 1 1 1 1 1 0 0 1 1 1 1 2 2 1 1 0 0 1 1 1 1 2 2 1 0 !Averaged profile: Section 7->9 0 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 4 4 3 1 1 1 0 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 2 7 12 14 10 5 2 1 0 1 2 5 5 4 1 1 0 0 0 0 1 1 1 0 0 0 0 4 13 27 34 24 10 3 0 0 1 4 10 12 9 4 1 0 0 0 1 1 2 1 1 0 0 0 5 16 36 46 34 15 4 1 0 1 6 13 17 13 6 1 0 0 0 1 2 3 2 1 0 0 1 4 13 28 37 28 13 4 1 0 1 5 10 14 11 5 2 0 0 0 1 2 2 2 1 1 0 0 2 6 13 17 15 8 3 1 0 1 2 5 7 6 3 2 1 0 0 1 1 1 1 1 1 0 0 1 2 4 6 5 3 2 1 0 0 1 1 2 2 2 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 Orientation least squares, component 1 (108 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 108 0 108 7.6669 1.1459 5.313 36.133 A B C Alpha Beta Gamma Vol 23.5145 25.9054 24.3415 90.000 105.409 90.000 14294.67 0.0205 0.0143 0.0199 0.000 0.030 0.000 31.01 Corrected for goodness of fit: 0.0266 0.0186 0.0259 0.000 0.039 0.000 40.33 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.230 152.434 67.472 Goniometer zeros (deg): 0.0000 0.1065 0.0000 0.0596 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.242 0.617 0.047 0.138 0.610 0.036 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 7.11091e+002 5.22552e+002 1.30 3 0 Integration ============================= 04/06/05 10:38:31 Unsorted reflections will be written to: C:\frames\klat083\work\unsorted.raw Spatially corrected beam center: 258.30 261.21 No reference intensity correction will be made Input monochromator 2Th, roll (deg): 12.17 0.00 Input X,Y,Z spot spread (deg): 0.660 0.660 0.430 Scale for orientation update length: 1.000E+00 #Frames running average for orientation update: 9 Frames between full refinements of orientation: 50 N, where every Nth strong spot included in LS: 1 Pixel spacing (deg): 0.114 Profile X,Y,Z spacing (deg): 0.114 0.114 0.300 Profile convolver halfwidth: 2.0 2.0 3.0 Profile convolver expansion: 0.863 0.863 2.093 Rescan threshold is top of A/D conversion range Background pixels updated = 78.86% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 0 .001 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.68 0.54 0.52 1.000 1 .002 7 -0.02 -0.19 0.08 0.29 0.60 0.14 2.4431 1 86 0.29 12 0.68 0.54 0.52 1.000 2 .003 65 -0.13 -0.06 0.03 0.45 0.44 0.21 9.3501 2 68 0.47 18 0.68 0.54 0.52 1.000 3 .004 67 -0.10 -0.06 0.04 0.41 0.40 0.20 12.097 3 49 0.55 19 0.68 0.54 0.52 1.000 4 .005 70 -0.11 -0.06 -0.02 0.44 0.38 0.21 10.679 3 54 0.53 18 0.68 0.54 0.52 1.000 5 .006 61 0.02 -0.06 0.02 0.46 0.35 0.22 12.341 3 39 0.54 19 0.68 0.54 0.52 1.000 6 .007 77 -0.00 0.00 0.01 0.43 0.42 0.20 8.3142 2 56 0.51 18 0.68 0.54 0.52 1.000 7 .008 53 -0.04 0.01 0.02 0.56 0.42 0.21 7.3875 2 58 0.49 19 0.68 0.54 0.52 1.000 8 .009 68 -0.15 0.01 -0.04 0.47 0.36 0.21 7.9263 2 65 0.49 19 0.68 0.54 0.52 1.000 9 .010 67 0.00 -0.03 -0.02 0.41 0.39 0.23 7.0105 2 57 0.52 18 0.68 0.54 0.52 1.000 10 .011 73 -0.03 0.07 -0.01 0.46 0.38 0.20 5.6572 2 62 0.47 18 0.68 0.54 0.52 1.000 11 .012 60 -0.04 -0.06 0.01 0.42 0.37 0.22 6.1314 2 65 0.49 18 0.68 0.54 0.52 1.000 12 .013 73 -0.08 -0.04 -0.01 0.46 0.35 0.21 12.407 2 49 0.49 18 0.68 0.54 0.52 1.000 13 .014 63 -0.07 -0.02 -0.01 0.40 0.45 0.18 11.984 3 48 0.54 21 0.68 0.54 0.52 1.000 14 .015 59 -0.03 -0.08 0.01 0.43 0.40 0.20 10.675 3 54 0.50 20 0.68 0.54 0.52 1.000 15 .016 61 -0.11 -0.05 0.02 0.51 0.40 0.21 8.9889 2 52 0.53 19 0.68 0.53 0.52 1.000 16 .017 67 -0.14 -0.04 -0.03 0.63 0.63 0.20 5.7675 2 64 0.47 18 0.68 0.53 0.52 1.000 17 .018 57 -0.14 -0.09 0.04 0.42 0.48 0.19 8.1523 2 54 0.51 17 0.68 0.53 0.52 1.000 18 .019 78 -0.08 0.06 0.02 0.51 0.41 0.20 7.7633 2 54 0.50 18 0.68 0.53 0.52 1.000 19 .020 61 0.06 -0.03 -0.02 0.50 0.34 0.21 4.3949 2 61 0.42 19 0.68 0.53 0.52 1.000 Background pixels updated = 78.77% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 67 -0.06 0.05 0.01 0.60 0.38 0.21 13.257 3 51 0.49 19 0.68 0.53 0.52 1.000 21 .022 67 -0.10 0.12 0.04 0.45 0.37 0.20 16.38 3 52 0.53 18 0.68 0.53 0.52 1.000 22 .023 57 -0.09 -0.02 0.02 0.56 0.42 0.23 11.059 3 47 0.53 21 0.67 0.53 0.52 1.000 23 .024 79 -0.06 0.04 0.03 0.78 0.46 0.20 10.237 2 57 0.53 18 0.67 0.53 0.52 1.000 24 .025 49 -0.10 -0.12 0.02 0.44 0.37 0.17 6.7056 2 57 0.50 19 0.68 0.53 0.52 1.000 25 .026 72 -0.05 -0.07 0.05 0.44 0.44 0.20 6.6956 2 57 0.49 20 0.68 0.53 0.52 1.000 26 .027 66 -0.12 -0.06 0.05 0.72 0.61 0.19 7.8958 2 61 0.48 18 0.68 0.53 0.52 1.000 27 .028 68 -0.00 0.01 -0.02 0.43 0.42 0.22 11.535 3 57 0.47 19 0.68 0.53 0.52 1.000 28 .029 69 -0.06 0.07 0.05 0.56 0.49 0.21 9.5613 3 48 0.50 18 0.68 0.53 0.52 1.000 29 .030 62 0.03 0.09 -0.04 0.50 0.54 0.23 27.919 4 53 0.54 18 0.68 0.53 0.52 1.000 30 .031 64 -0.06 -0.01 0.03 0.46 0.34 0.22 8.764 2 69 0.48 18 0.67 0.53 0.52 1.000 31 .032 63 -0.02 -0.05 0.04 0.47 0.39 0.21 5.9036 2 60 0.51 18 0.68 0.53 0.52 1.000 32 .033 76 0.01 -0.08 -0.05 0.55 0.41 0.21 8.5112 2 62 0.53 19 0.68 0.53 0.52 1.000 33 .034 61 -0.09 0.03 0.04 0.60 0.41 0.22 9.9925 3 51 0.56 19 0.68 0.53 0.52 1.000 34 .035 69 -0.09 -0.08 0.04 0.49 0.41 0.21 9.6985 3 43 0.57 19 0.68 0.53 0.52 1.000 35 .036 68 -0.04 0.02 -0.01 0.49 0.37 0.23 9.0022 3 47 0.49 18 0.68 0.53 0.52 1.000 36 .037 68 -0.04 0.01 -0.04 0.44 0.40 0.21 7.9192 2 60 0.49 19 0.68 0.53 0.52 1.000 37 .038 64 -0.12 0.05 0.00 0.58 0.39 0.20 19.16 3 59 0.53 17 0.68 0.53 0.52 1.000 38 .039 64 0.03 -0.05 -0.03 0.53 0.35 0.22 9.6287 3 56 0.53 20 0.68 0.53 0.52 1.000 39 .040 78 -0.03 0.04 -0.00 0.47 0.38 0.18 7.4667 2 53 0.48 19 0.68 0.53 0.52 1.000 Background pixels updated = 79.00% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 61 -0.11 -0.02 -0.02 0.60 0.43 0.21 6.1905 2 61 0.50 17 0.68 0.53 0.52 1.000 41 .042 64 -0.01 0.02 -0.02 0.43 0.44 0.23 7.3973 2 59 0.44 18 0.68 0.53 0.52 1.000 42 .043 75 -0.08 -0.04 0.00 0.55 0.44 0.23 10.026 3 45 0.53 20 0.68 0.53 0.52 1.000 43 .044 75 -0.16 -0.07 0.00 0.81 0.68 0.18 15.128 3 47 0.51 17 0.68 0.53 0.52 1.000 44 .045 56 0.01 0.15 -0.05 0.43 0.51 0.20 7.9431 2 54 0.50 19 0.68 0.53 0.52 1.000 45 .046 58 -0.06 0.04 -0.03 0.62 0.47 0.21 31.448 5 50 0.54 20 0.68 0.53 0.52 1.000 46 .047 74 -0.03 0.03 0.02 0.42 0.34 0.21 8.1076 2 55 0.49 18 0.68 0.53 0.52 1.000 47 .048 59 0.02 -0.07 -0.00 0.39 0.35 0.18 7.6324 3 53 0.54 20 0.68 0.53 0.52 1.000 48 .049 72 0.01 -0.00 -0.03 0.44 0.40 0.21 9.6524 3 46 0.51 19 0.68 0.53 0.52 1.000 49 .050 64 -0.21 0.08 -0.01 1.09 0.79 0.19 6.679 2 55 0.45 19 0.68 0.53 0.52 1.000 Orientation least squares, component 1 (105 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 105 0 105 7.6629 1.1861 5.316 34.867 A B C Alpha Beta Gamma Vol 23.5202 25.9146 24.3011 90.000 105.359 90.000 14282.93 0.0219 0.0151 0.0213 0.000 0.031 0.000 33.26 Corrected for goodness of fit: 0.0287 0.0198 0.0279 0.000 0.041 0.000 43.52 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.233 152.441 67.430 Goniometer zeros (deg): 0.0000 0.0579 0.0000 0.0260 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.329 0.773 0.048 0.211 0.569 0.072 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 6.15064e+002 5.13708e+002 1.31 6 0 Background pixels updated = 78.97% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50 .051 72 -0.10 -0.04 -0.01 0.49 0.36 0.20 7.8761 2 49 0.52 19 0.68 0.53 0.52 1.000 51 .052 64 -0.13 -0.04 -0.00 0.50 0.36 0.18 10.003 3 47 0.55 20 0.68 0.53 0.52 1.000 52 .053 69 -0.05 0.05 0.01 0.39 0.40 0.18 9.1354 3 42 0.52 19 0.68 0.53 0.52 1.000 53 .054 70 -0.12 -0.02 -0.04 0.52 0.32 0.20 9.2527 3 46 0.55 18 0.68 0.53 0.52 1.000 54 .055 61 -0.05 0.00 -0.05 0.61 0.37 0.18 10.418 2 67 0.51 18 0.68 0.53 0.52 1.000 55 .056 63 -0.18 0.05 0.00 0.81 0.65 0.21 7.4456 2 59 0.48 17 0.68 0.53 0.52 1.000 56 .057 66 -0.11 -0.04 0.00 0.45 0.43 0.21 11.661 3 58 0.51 18 0.68 0.53 0.52 1.000 57 .058 70 -0.08 0.04 0.00 0.35 0.39 0.21 10.139 3 53 0.55 19 0.68 0.53 0.52 1.000 58 .059 70 -0.10 -0.04 0.03 0.54 0.39 0.22 7.3268 2 57 0.53 20 0.68 0.53 0.52 1.000 59 .060 59 -0.08 0.01 0.06 0.42 0.39 0.18 8.6793 2 51 0.53 18 0.68 0.53 0.52 1.000 Background pixels updated = 82.31% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 60 .061 70 -0.26 -0.08 0.03 0.53 0.42 0.22 6.8986 2 53 0.49 17 0.68 0.53 0.52 1.000 61 .062 66 -0.05 0.02 -0.02 0.44 0.37 0.20 10.645 3 61 0.49 19 0.68 0.53 0.52 1.000 62 .063 66 -0.07 0.02 0.01 0.55 0.40 0.20 13.368 3 53 0.54 18 0.68 0.53 0.52 1.000 63 .064 67 -0.08 0.03 0.03 0.40 0.35 0.17 8.5944 2 51 0.57 18 0.68 0.53 0.52 1.000 64 .065 60 -0.03 0.05 -0.00 0.70 0.80 0.19 10.121 3 50 0.50 18 0.68 0.53 0.52 1.000 65 .066 75 -0.06 -0.01 0.00 0.42 0.40 0.22 11.938 3 52 0.51 20 0.68 0.53 0.52 1.000 66 .067 63 -0.16 0.03 0.05 0.66 0.38 0.21 4.3658 2 70 0.43 18 0.68 0.53 0.52 1.000 67 .068 67 -0.06 0.04 0.01 0.40 0.34 0.21 14.191 3 61 0.53 19 0.68 0.53 0.52 1.000 68 .069 74 -0.16 -0.04 0.02 0.53 0.56 0.19 18.83 4 43 0.63 20 0.68 0.53 0.52 1.000 69 .070 66 -0.14 0.01 0.03 0.57 0.47 0.22 7.4178 2 56 0.50 19 0.68 0.53 0.52 1.000 70 .071 68 -0.09 0.10 -0.01 0.91 0.79 0.21 6.4132 2 50 0.49 17 0.68 0.53 0.52 1.000 71 .072 74 -0.08 0.01 -0.02 0.53 0.38 0.22 7.9334 3 62 0.51 20 0.68 0.53 0.52 1.000 72 .073 56 -0.04 -0.10 -0.03 0.51 0.37 0.20 7.6717 2 57 0.51 17 0.68 0.53 0.52 1.000 73 .074 58 0.00 0.06 0.05 0.50 0.50 0.23 5.6999 2 57 0.47 19 0.68 0.53 0.52 1.000 74 .075 60 -0.13 -0.02 0.06 0.46 0.40 0.21 11.182 3 55 0.56 19 0.68 0.53 0.52 1.000 75 .076 74 -0.03 0.06 0.01 0.49 0.45 0.20 8.9636 3 46 0.53 18 0.68 0.53 0.52 1.000 76 .077 69 -0.05 -0.03 -0.03 0.43 0.30 0.20 8.0984 2 64 0.53 18 0.68 0.53 0.52 1.000 77 .078 70 -0.04 0.02 0.03 0.52 0.37 0.21 15.812 4 50 0.56 20 0.68 0.53 0.52 1.000 78 .079 59 -0.24 0.06 0.04 0.59 0.39 0.19 10.357 2 54 0.51 18 0.68 0.53 0.52 1.000 79 .080 73 0.03 -0.02 -0.01 0.54 0.35 0.19 7.0371 2 62 0.53 19 0.68 0.53 0.52 1.000 Background pixels updated = 81.83% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80 .081 59 -0.20 0.07 0.03 0.79 0.50 0.18 15.18 3 54 0.56 19 0.68 0.53 0.52 1.000 81 .082 73 -0.06 0.05 0.01 0.43 0.41 0.19 10.783 2 56 0.51 19 0.68 0.53 0.52 1.000 82 .083 71 -0.16 -0.03 -0.04 0.69 0.36 0.24 6.2517 2 62 0.48 18 0.68 0.53 0.52 1.000 83 .084 67 -0.08 0.04 -0.01 0.58 0.38 0.19 7.9945 3 51 0.54 21 0.68 0.53 0.52 1.000 84 .085 53 -0.18 -0.05 0.08 0.74 0.56 0.22 8.7538 2 64 0.52 19 0.68 0.53 0.52 1.000 85 .086 68 -0.08 0.04 0.00 0.68 0.49 0.18 7.3553 2 59 0.53 17 0.68 0.53 0.52 1.000 86 .087 66 -0.10 0.04 0.01 0.66 0.40 0.19 9.1792 2 53 0.51 19 0.68 0.53 0.52 1.000 87 .088 77 -0.14 -0.00 0.01 0.50 0.36 0.24 16.383 4 64 0.51 20 0.68 0.53 0.52 1.000 88 .089 68 -0.15 0.03 0.01 0.54 0.48 0.21 21.378 4 62 0.51 19 0.68 0.53 0.52 1.000 89 .090 61 -0.05 -0.10 0.01 0.56 0.43 0.20 8.5651 2 57 0.56 17 0.68 0.53 0.52 1.000 90 .091 71 -0.23 0.03 -0.00 0.81 0.48 0.21 7.7658 3 54 0.53 18 0.68 0.53 0.52 1.000 91 .092 69 -0.13 0.05 0.02 0.50 0.61 0.23 10.658 3 51 0.54 19 0.68 0.53 0.52 1.000 92 .093 66 -0.11 -0.03 0.07 0.53 0.33 0.22 9.3658 3 53 0.54 18 0.68 0.53 0.52 1.000 93 .094 78 -0.07 -0.07 0.06 0.51 0.61 0.22 8.6552 3 51 0.52 19 0.68 0.53 0.52 1.000 94 .095 65 -0.12 0.02 -0.01 0.57 0.46 0.24 6.7946 2 68 0.43 18 0.68 0.53 0.52 1.000 95 .096 56 -0.19 0.08 0.01 0.86 0.55 0.18 12.36 3 54 0.55 20 0.68 0.53 0.52 1.000 96 .097 47 -0.03 -0.08 -0.00 0.51 0.42 0.21 7.1537 2 62 0.49 18 0.68 0.53 0.52 1.000 97 .098 82 -0.03 -0.02 -0.00 0.54 0.43 0.17 8.6894 2 57 0.52 19 0.68 0.53 0.52 1.000 98 .099 69 -0.15 -0.05 0.02 0.45 0.38 0.16 8.0118 2 59 0.51 19 0.68 0.53 0.52 1.000 99 .100 70 -0.02 0.07 -0.01 0.42 0.37 0.21 6.9785 2 69 0.43 18 0.68 0.53 0.52 1.000 Orientation least squares, component 1 (251 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 251 0 251 7.6639 1.1860 5.315 34.872 A B C Alpha Beta Gamma Vol 23.5209 25.9143 24.2971 90.000 105.400 90.000 14278.02 0.0108 0.0080 0.0100 0.000 0.013 0.000 16.03 Corrected for goodness of fit: 0.0139 0.0103 0.0128 0.000 0.017 0.000 20.58 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.226 152.442 67.422 Goniometer zeros (deg): 0.0000 0.0317 0.0000 0.0466 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.276 0.732 0.046 0.166 0.585 -0.012 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.26714e+003 1.21660e+003 1.28 16 0 BG snapshot written to C:\frames\klat083\work\bgsnap02.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999556; Maximum = 0.0217047 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 2 4 4 3 1 1 0 0 0 1 1 1 0 0 0 0 1 1 2 4 4 3 1 1 0 1 3 7 12 13 9 4 1 1 0 1 1 1 2 1 0 0 0 1 2 5 9 10 7 3 1 0 1 5 13 25 31 22 9 3 1 0 1 1 2 3 1 1 0 0 1 2 6 11 14 10 4 1 0 1 5 16 33 42 31 13 4 1 0 0 1 2 2 1 1 0 0 0 1 4 9 11 8 4 1 0 1 4 12 26 33 25 11 3 1 0 0 1 1 1 1 0 0 0 0 1 2 4 5 4 1 1 0 1 2 6 12 15 11 5 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 2 4 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 0 0 1 1 1 1 1 1 1 0 1 2 4 7 7 5 3 1 1 1 3 5 8 9 6 4 2 1 1 2 4 6 7 5 3 2 1 1 5 11 21 25 18 8 3 1 2 5 14 26 31 22 10 4 1 1 4 11 21 26 19 9 3 1 2 8 23 47 58 42 18 5 1 2 9 27 58 74 54 23 6 1 1 7 22 48 61 45 19 5 1 2 9 28 61 79 59 25 7 1 2 10 34 76100 75 32 8 2 1 8 27 62 83 63 27 7 1 1 7 21 46 61 47 20 6 1 1 8 25 56 76 59 26 8 1 1 6 20 46 63 50 22 7 1 1 4 10 20 27 21 10 4 1 1 4 11 24 33 26 13 4 1 1 3 9 19 27 22 11 4 1 1 2 4 6 7 6 3 1 1 1 2 4 7 9 7 4 2 1 1 2 3 5 7 6 4 2 0 0 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 0 !Averaged profile: Section 7->9 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 4 3 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 12 15 11 5 1 1 0 1 2 4 5 4 1 1 0 0 0 0 1 1 1 0 0 0 1 4 12 26 35 26 11 3 1 0 1 4 9 12 9 4 1 0 0 0 1 1 2 2 1 0 0 1 4 15 34 46 36 16 4 1 0 1 5 12 16 13 6 1 0 0 0 1 2 3 2 1 0 0 1 3 11 25 35 28 13 4 1 0 1 4 9 12 10 5 1 0 0 0 1 1 2 2 1 0 0 0 1 5 10 15 13 7 2 1 0 0 1 4 5 5 2 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 4 4 2 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 79.84% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 100 .101 74 -0.20 0.09 0.01 0.88 0.61 0.19 15.207 3 51 0.52 19 0.68 0.53 0.52 1.000 101 .102 53 -0.11 0.04 0.05 0.61 0.46 0.18 15.405 4 57 0.54 19 0.68 0.53 0.52 1.000 102 .103 79 -0.20 -0.02 0.02 0.53 0.43 0.20 7.6385 3 54 0.53 18 0.68 0.53 0.52 1.000 103 .104 61 -0.05 -0.13 0.03 0.58 0.69 0.20 7.619 2 54 0.50 17 0.68 0.53 0.52 1.000 104 .105 73 -0.16 0.06 -0.01 0.56 0.39 0.22 9.4058 2 52 0.52 18 0.68 0.53 0.52 1.000 105 .106 72 -0.16 0.01 0.02 0.78 0.46 0.19 8.5902 2 60 0.49 19 0.68 0.53 0.52 1.000 106 .107 66 -0.09 0.04 0.00 0.60 0.44 0.21 6.4943 2 65 0.47 18 0.68 0.53 0.52 1.000 107 .108 55 -0.03 0.06 -0.00 0.53 0.36 0.21 8.6636 2 64 0.51 19 0.68 0.53 0.52 1.000 108 .109 52 -0.17 -0.02 0.02 0.88 0.57 0.19 13.52 3 63 0.53 19 0.68 0.53 0.52 1.000 109 .110 79 -0.22 0.11 -0.02 0.81 0.45 0.19 9.7024 3 59 0.51 19 0.68 0.53 0.52 1.000 110 .111 67 -0.14 0.03 0.03 0.47 0.43 0.22 8.6808 2 61 0.53 19 0.68 0.53 0.52 1.000 111 .112 70 -0.09 0.02 0.00 0.48 0.38 0.19 14.139 3 56 0.51 20 0.68 0.53 0.52 1.000 112 .113 71 -0.12 0.06 0.00 0.44 0.39 0.20 12.148 3 46 0.57 19 0.68 0.53 0.52 1.000 113 .114 67 0.03 0.03 0.02 0.53 0.35 0.20 10.951 2 64 0.45 17 0.68 0.53 0.52 1.000 114 .115 61 -0.25 0.09 0.02 0.92 0.80 0.22 8.1675 2 66 0.54 18 0.68 0.53 0.52 1.000 115 .116 77 -0.16 0.02 0.01 0.80 0.58 0.20 11.569 3 64 0.49 19 0.68 0.53 0.52 1.000 116 .117 56 -0.17 0.06 0.06 0.54 0.37 0.23 5.5135 2 59 0.49 18 0.68 0.53 0.52 1.000 117 .118 65 -0.05 0.02 -0.02 0.47 0.42 0.22 10.8 2 68 0.48 18 0.68 0.53 0.52 1.000 118 .119 76 -0.29 0.03 0.00 0.85 0.58 0.19 26.97 3 67 0.50 20 0.68 0.53 0.52 1.000 119 .120 76 -0.13 0.11 0.01 0.88 0.48 0.21 4.9502 2 61 0.51 18 0.68 0.53 0.52 1.000 Background pixels updated = 79.09% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 120 .121 58 -0.31 -0.01 0.02 0.92 0.40 0.19 12.15 3 55 0.55 20 0.68 0.53 0.52 1.000 121 .122 53 -0.16 -0.04 0.08 0.95 0.67 0.23 6.8414 2 60 0.47 18 0.68 0.53 0.52 1.000 122 .123 64 -0.24 0.02 0.00 0.82 0.71 0.22 9.163 2 64 0.46 20 0.68 0.53 0.52 1.000 123 .124 85 -0.15 0.08 0.03 0.85 0.68 0.23 6.6316 2 58 0.52 18 0.68 0.53 0.52 1.000 124 .125 58 -0.07 0.04 -0.02 0.57 0.39 0.21 8.2498 2 71 0.49 19 0.68 0.53 0.52 1.000 125 .126 69 -0.11 0.10 -0.00 0.46 0.43 0.20 9.088 3 55 0.49 19 0.68 0.53 0.52 1.000 126 .127 68 -0.11 -0.01 0.02 0.90 0.49 0.19 8.634 2 51 0.55 21 0.67 0.53 0.52 1.000 127 .128 69 -0.14 -0.01 0.04 0.52 0.40 0.21 7.3249 2 58 0.48 19 0.68 0.53 0.52 1.000 128 .129 65 -0.10 0.06 -0.00 0.53 0.38 0.16 16.207 3 51 0.56 18 0.68 0.53 0.52 1.000 129 .130 68 -0.12 0.15 0.02 0.65 0.82 0.17 7.1213 2 63 0.48 18 0.68 0.53 0.52 1.000 130 .131 55 -0.12 0.05 0.05 0.48 0.34 0.25 7.133 2 51 0.52 18 0.68 0.53 0.52 1.000 131 .132 83 -0.11 -0.04 0.04 0.48 0.34 0.19 6.7995 2 63 0.50 19 0.68 0.53 0.52 1.000 132 .133 53 -0.08 -0.02 -0.01 0.48 0.38 0.19 13.861 3 47 0.53 16 0.68 0.53 0.52 1.000 133 .134 69 -0.09 0.14 -0.02 0.86 0.66 0.22 7.6486 2 52 0.51 17 0.68 0.53 0.52 1.000 134 .135 64 0.01 0.01 0.04 0.45 0.39 0.18 9.7402 3 50 0.54 21 0.68 0.53 0.52 1.000 135 .136 67 -0.18 0.04 -0.02 0.53 0.35 0.21 9.5045 3 57 0.55 17 0.68 0.53 0.52 1.000 136 .137 61 -0.06 -0.03 -0.02 0.48 0.36 0.19 8.9369 2 56 0.48 18 0.68 0.53 0.52 1.000 137 .138 60 -0.19 0.04 -0.02 0.82 0.45 0.21 15.634 4 53 0.58 21 0.68 0.53 0.52 1.000 138 .139 81 -0.05 -0.02 0.02 0.45 0.38 0.21 7.5582 2 49 0.52 20 0.68 0.53 0.52 1.000 139 .140 58 -0.12 0.06 0.04 0.47 0.43 0.18 12.113 2 64 0.50 18 0.68 0.53 0.52 1.000 Background pixels updated = 78.75% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 140 .141 69 -0.07 0.08 0.08 0.46 0.41 0.19 5.9021 2 65 0.48 19 0.68 0.53 0.52 1.000 141 .142 75 -0.01 -0.11 0.00 0.50 0.32 0.19 7.7957 2 56 0.46 19 0.68 0.53 0.52 1.000 142 .143 71 -0.09 0.02 0.04 0.56 0.36 0.23 11.007 3 62 0.49 18 0.68 0.53 0.52 1.000 143 .144 64 0.04 0.09 -0.02 0.46 0.43 0.21 10.819 3 61 0.53 18 0.68 0.53 0.52 1.000 144 .145 52 -0.19 -0.02 0.01 0.46 0.42 0.20 6.7921 2 62 0.51 17 0.68 0.53 0.52 1.000 145 .146 66 -0.09 -0.01 0.01 0.47 0.37 0.18 7.908 2 65 0.47 19 0.68 0.53 0.52 1.000 146 .147 72 -0.07 -0.16 0.05 0.73 0.81 0.20 11.172 3 58 0.50 20 0.67 0.53 0.52 1.000 147 .148 66 -0.09 0.12 0.02 0.54 0.48 0.20 8.0532 2 52 0.48 18 0.67 0.53 0.52 1.000 148 .149 72 -0.02 -0.03 0.01 0.35 0.34 0.22 14.811 3 54 0.49 17 0.67 0.53 0.52 1.000 149 .150 56 -0.16 0.10 -0.03 0.67 0.50 0.23 8.1093 2 59 0.49 19 0.67 0.53 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 7.7099 1.2061 5.284 34.271 A B C Alpha Beta Gamma Vol 23.5192 25.9183 24.3072 90.000 105.410 90.000 14284.43 0.0090 0.0070 0.0079 0.000 0.013 0.000 13.31 Corrected for goodness of fit: 0.0108 0.0084 0.0095 0.000 0.016 0.000 15.98 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.236 152.423 67.432 Goniometer zeros (deg): 0.0000 0.0243 0.0000 0.0820 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.160 0.626 0.048 0.152 0.613 -0.015 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.45775e+003 1.35399e+003 1.20 25 1 Background pixels updated = 78.58% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 150 .151 67 -0.01 0.11 0.04 0.45 0.37 0.20 9.1251 2 60 0.48 18 0.67 0.53 0.52 1.000 151 .152 72 -0.17 0.03 0.04 0.95 0.57 0.20 7.9828 2 53 0.52 18 0.67 0.53 0.52 1.000 152 .153 58 -0.07 -0.05 0.01 0.52 0.37 0.20 13.917 3 57 0.56 18 0.67 0.53 0.52 1.000 153 .154 64 -0.08 0.05 0.00 0.53 0.66 0.19 7.707 2 61 0.51 21 0.67 0.53 0.52 1.000 154 .155 62 -0.17 -0.01 0.05 0.64 0.44 0.22 8.299 3 66 0.50 20 0.68 0.53 0.52 1.000 155 .156 66 -0.19 0.01 0.01 0.48 0.42 0.19 8.7289 3 64 0.48 18 0.68 0.53 0.52 1.000 156 .157 68 -0.09 0.08 0.05 0.79 0.45 0.20 15.125 3 57 0.55 19 0.67 0.53 0.52 1.000 157 .158 72 -0.14 -0.03 0.01 0.77 0.70 0.23 9.2023 3 49 0.53 20 0.67 0.53 0.52 1.000 158 .159 69 -0.07 -0.02 -0.01 0.50 0.38 0.20 10.54 3 61 0.56 19 0.67 0.53 0.52 1.000 159 .160 68 0.00 0.04 0.01 0.54 0.39 0.20 13.626 3 56 0.52 19 0.67 0.53 0.52 1.000 Background pixels updated = 79.24% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 160 .161 63 -0.19 -0.03 0.03 0.54 0.37 0.19 9.7701 3 56 0.54 18 0.67 0.53 0.52 1.000 161 .162 63 -0.09 -0.01 0.01 0.44 0.37 0.19 10.137 3 56 0.53 19 0.67 0.53 0.52 1.000 162 .163 66 -0.15 0.08 0.01 0.93 0.60 0.21 7.2607 2 64 0.46 18 0.67 0.53 0.52 1.000 163 .164 61 -0.02 -0.00 0.01 0.56 0.38 0.18 12.39 3 56 0.45 18 0.68 0.53 0.52 1.000 164 .165 65 -0.12 0.03 -0.00 0.53 0.42 0.21 19.122 3 69 0.45 18 0.68 0.53 0.52 1.000 165 .166 72 -0.05 0.01 -0.00 0.49 0.37 0.20 12.156 3 64 0.52 19 0.68 0.53 0.52 1.000 166 .167 60 -0.06 0.01 0.00 0.48 0.36 0.23 6.1567 2 63 0.49 19 0.68 0.53 0.52 1.000 167 .168 79 -0.12 -0.01 0.02 0.46 0.42 0.22 12.483 4 53 0.56 21 0.68 0.53 0.52 1.000 168 .169 61 -0.20 -0.10 0.02 1.05 0.77 0.22 5.9117 2 67 0.45 17 0.68 0.53 0.52 1.000 169 .170 65 -0.01 0.01 -0.02 0.40 0.40 0.23 7.8016 3 46 0.48 19 0.68 0.53 0.52 1.000 170 .171 79 -0.04 -0.07 -0.01 0.60 0.42 0.20 7.2825 2 61 0.50 18 0.68 0.53 0.52 1.000 171 .172 60 -0.08 0.00 0.03 0.41 0.38 0.22 8.129 2 58 0.51 18 0.68 0.53 0.52 1.000 172 .173 61 -0.04 -0.01 0.04 0.52 0.37 0.18 12.303 3 44 0.56 18 0.68 0.53 0.52 1.000 173 .174 65 -0.06 -0.01 0.04 0.46 0.42 0.20 9.6639 3 63 0.53 18 0.68 0.53 0.52 1.000 174 .175 75 -0.16 0.08 0.01 0.56 0.41 0.20 10.699 2 56 0.48 18 0.68 0.53 0.52 1.000 175 .176 59 -0.12 0.07 0.03 0.39 0.38 0.21 7.0924 2 53 0.53 16 0.68 0.53 0.52 1.000 176 .177 58 -0.23 0.09 -0.01 0.97 1.07 0.22 7.9039 2 53 0.51 18 0.68 0.53 0.52 1.000 177 .178 66 0.01 0.08 -0.00 0.48 0.46 0.20 5.694 2 67 0.47 20 0.68 0.53 0.52 1.000 178 .179 71 -0.05 -0.02 -0.01 0.58 0.38 0.19 6.0974 2 54 0.50 20 0.68 0.53 0.52 1.000 179 .180 59 -0.17 -0.16 0.00 1.37 1.19 0.24 9.9422 3 49 0.61 19 0.68 0.53 0.52 1.000 Background pixels updated = 80.03% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 180 .181 57 -0.05 0.06 -0.04 0.43 0.44 0.16 9.5452 3 63 0.51 18 0.68 0.53 0.52 1.000 181 .182 77 -0.08 0.05 0.01 0.50 0.40 0.19 8.0534 2 64 0.53 19 0.68 0.53 0.52 1.000 182 .183 67 0.03 0.06 -0.02 0.47 0.45 0.17 7.8407 2 52 0.50 20 0.68 0.53 0.52 1.000 183 .184 68 -0.02 -0.01 -0.00 0.40 0.35 0.17 9.7427 3 54 0.57 18 0.68 0.53 0.52 1.000 184 .185 58 -0.13 0.01 0.04 0.49 0.39 0.19 7.0274 2 64 0.50 18 0.68 0.53 0.52 1.000 185 .186 83 -0.06 0.04 0.03 0.42 0.45 0.21 9.6978 3 61 0.51 21 0.68 0.53 0.52 1.000 186 .187 59 -0.14 0.08 -0.00 0.56 0.40 0.22 5.202 2 59 0.43 17 0.68 0.53 0.52 1.000 187 .188 61 -0.14 -0.03 0.00 0.53 0.51 0.23 4.5149 2 66 0.45 17 0.68 0.53 0.52 1.000 188 .189 62 -0.11 -0.04 0.04 0.54 0.40 0.22 8.5023 2 56 0.48 17 0.68 0.53 0.52 1.000 189 .190 72 -0.09 -0.01 0.02 0.48 0.38 0.21 7.1946 3 56 0.48 20 0.68 0.53 0.52 1.000 190 .191 64 -0.15 0.07 0.04 0.57 0.41 0.19 14.522 3 61 0.44 17 0.68 0.53 0.52 1.000 191 .192 63 -0.05 -0.01 -0.02 0.45 0.46 0.23 8.7751 3 56 0.52 20 0.68 0.53 0.52 1.000 192 .193 64 -0.22 -0.06 0.04 0.48 0.37 0.19 10.833 3 59 0.55 18 0.68 0.53 0.52 1.000 193 .194 73 0.02 0.02 -0.01 0.53 0.40 0.19 7.631 2 56 0.52 19 0.68 0.53 0.52 1.000 194 .195 65 -0.04 -0.11 0.02 0.47 0.49 0.19 12.74 2 62 0.51 18 0.68 0.52 0.52 1.000 195 .196 74 -0.14 -0.02 0.03 0.63 0.42 0.24 7.7525 2 65 0.46 20 0.68 0.52 0.52 1.000 196 .197 56 0.13 -0.04 -0.01 0.48 0.33 0.20 9.378 3 52 0.54 17 0.68 0.52 0.52 1.000 197 .198 76 -0.04 0.05 0.02 0.51 0.42 0.19 10.472 3 61 0.55 21 0.68 0.52 0.52 1.000 198 .199 70 -0.08 -0.03 0.00 0.47 0.35 0.22 9.2571 3 53 0.53 19 0.68 0.52 0.52 1.000 199 .200 71 -0.07 -0.08 0.00 0.46 0.41 0.21 7.0965 2 59 0.46 20 0.68 0.53 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 7.7152 1.1722 5.280 35.296 A B C Alpha Beta Gamma Vol 23.5070 25.9243 24.3270 90.000 105.376 90.000 14294.19 0.0091 0.0068 0.0074 0.000 0.013 0.000 12.78 Corrected for goodness of fit: 0.0108 0.0081 0.0088 0.000 0.015 0.000 15.28 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.252 152.368 67.449 Goniometer zeros (deg): 0.0000 0.0416 0.0000 0.0927 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.031 0.702 0.046 0.202 0.603 -0.079 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.49603e+003 1.34199e+003 1.20 3 0 BG snapshot written to C:\frames\klat083\work\bgsnap02.001 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999746; Maximum = 0.021687 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 3 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 1 2 3 4 3 1 0 0 1 2 6 10 12 9 4 1 0 0 0 1 1 1 1 0 0 0 0 1 4 8 9 6 3 1 0 1 4 12 23 29 21 9 3 1 0 0 1 2 2 1 1 0 0 0 2 5 10 13 9 4 1 0 1 5 15 31 40 30 13 4 1 0 0 1 1 2 1 1 0 0 0 1 4 8 11 8 4 1 0 1 4 11 24 32 25 11 3 1 0 0 0 1 1 1 0 0 0 0 1 2 4 5 4 1 1 0 1 2 5 11 15 12 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 2 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 0 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 4 6 6 5 3 1 1 1 2 4 7 8 6 4 1 1 1 2 4 6 7 6 3 1 1 1 4 10 20 23 17 8 3 1 1 5 13 25 31 23 10 4 1 1 4 11 22 27 20 9 3 1 1 7 21 45 57 42 18 5 1 1 8 27 57 74 55 24 7 1 1 7 22 49 64 48 21 6 1 1 8 27 59 78 59 25 7 1 2 10 33 75100 77 33 9 2 1 8 27 63 85 66 29 8 1 1 6 20 45 61 47 21 6 1 1 8 24 55 76 61 27 8 1 1 6 20 45 63 51 24 7 1 1 4 9 20 27 22 11 4 1 1 4 11 24 33 27 13 5 1 1 3 9 19 27 23 11 4 1 1 2 3 6 8 7 4 1 1 1 2 4 7 9 8 5 2 1 1 1 3 6 7 6 4 1 0 0 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 0 !Averaged profile: Section 7->9 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 13 16 12 6 1 1 0 1 2 5 6 5 2 1 0 0 0 1 1 1 1 0 0 0 1 4 13 29 38 28 12 4 1 0 1 5 11 15 11 5 1 0 0 0 1 2 3 2 1 0 0 1 4 15 35 49 39 17 5 1 0 1 6 13 18 15 7 1 0 0 0 1 2 4 3 1 0 0 1 3 11 25 36 29 14 4 1 0 1 4 9 13 11 5 1 0 0 0 1 1 2 2 1 0 0 1 1 5 10 15 13 7 2 1 0 1 1 4 5 5 2 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 4 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 79.89% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 200 .201 64 -0.12 0.03 0.05 0.40 0.35 0.20 7.9229 2 59 0.50 17 0.68 0.53 0.52 1.000 201 .202 68 -0.07 -0.01 0.01 0.53 0.46 0.26 11.22 3 51 0.56 20 0.68 0.53 0.52 1.000 202 .203 59 -0.10 0.07 0.01 0.52 0.37 0.19 5.0792 2 68 0.44 19 0.68 0.53 0.52 1.000 203 .204 73 -0.07 0.03 -0.00 0.52 0.42 0.19 8.7195 3 48 0.54 20 0.68 0.53 0.52 1.000 204 .205 80 -0.08 0.02 0.02 0.56 0.40 0.19 6.6534 2 69 0.50 18 0.68 0.53 0.52 1.000 205 .206 40 -0.07 0.12 -0.02 0.69 0.53 0.17 5.029 2 60 0.48 20 0.68 0.53 0.52 1.000 206 .207 73 -0.09 0.10 0.06 0.55 0.33 0.21 8.6824 2 67 0.50 18 0.67 0.53 0.52 1.000 207 .208 55 0.01 0.07 -0.03 0.41 0.41 0.20 6.1505 2 69 0.43 19 0.67 0.53 0.52 1.000 208 .209 67 -0.02 0.17 -0.02 0.47 0.44 0.21 11.201 3 61 0.52 18 0.67 0.53 0.52 1.000 209 .210 64 -0.04 0.11 0.02 0.50 0.48 0.19 5.9798 2 63 0.49 18 0.67 0.53 0.52 1.000 210 .211 58 0.03 -0.05 -0.01 0.57 0.38 0.23 6.2493 2 60 0.48 18 0.67 0.53 0.52 1.000 211 .212 70 -0.11 0.06 0.03 0.56 0.39 0.20 14.167 3 61 0.55 18 0.67 0.53 0.52 1.000 212 .213 63 0.03 0.05 0.02 0.47 0.45 0.21 19.89 3 63 0.49 19 0.68 0.53 0.52 1.000 213 .214 64 -0.11 0.01 0.05 0.46 0.40 0.19 10.068 3 64 0.51 18 0.68 0.53 0.52 1.000 214 .215 69 -0.15 0.01 0.01 0.52 0.40 0.20 4.5438 1 75 0.44 18 0.68 0.53 0.52 1.000 215 .216 69 -0.04 0.09 0.02 0.51 0.36 0.21 18.408 3 55 0.53 19 0.68 0.53 0.52 1.000 216 .217 61 -0.11 0.02 0.00 0.49 0.43 0.19 6.993 2 61 0.48 17 0.68 0.53 0.52 1.000 217 .218 69 -0.04 0.01 0.01 0.45 0.49 0.19 6.7825 2 58 0.54 20 0.68 0.53 0.52 1.000 218 .219 66 -0.09 0.03 0.05 0.38 0.45 0.19 8.3613 3 53 0.50 18 0.68 0.52 0.52 1.000 219 .220 68 -0.22 0.08 -0.02 0.52 0.39 0.19 7.4507 2 56 0.52 18 0.68 0.52 0.52 1.000 Background pixels updated = 79.05% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 220 .221 54 -0.12 -0.05 0.06 0.50 0.39 0.22 15.098 3 54 0.52 18 0.68 0.52 0.52 1.000 221 .222 75 -0.01 -0.01 0.04 0.45 0.45 0.19 8.7237 2 59 0.51 18 0.68 0.52 0.52 1.000 222 .223 67 -0.09 0.04 0.01 0.62 0.41 0.21 7.3402 2 58 0.47 18 0.67 0.52 0.52 1.000 223 .224 71 -0.04 -0.04 0.02 0.44 0.37 0.20 6.8108 2 61 0.50 19 0.67 0.52 0.52 1.000 224 .225 70 -0.10 -0.03 0.02 0.44 0.40 0.21 11.297 3 60 0.51 19 0.67 0.52 0.52 1.000 225 .226 57 -0.00 -0.01 -0.01 0.51 0.37 0.22 5.0288 2 65 0.44 17 0.67 0.52 0.52 1.000 226 .227 71 -0.01 0.01 0.03 0.47 0.35 0.19 16.314 3 49 0.60 19 0.67 0.52 0.52 1.000 227 .228 54 -0.02 0.02 0.04 0.48 0.33 0.24 7.7481 2 65 0.47 19 0.67 0.52 0.52 1.000 228 .229 74 -0.08 0.02 -0.02 0.45 0.42 0.20 5.888 2 65 0.48 19 0.67 0.52 0.52 1.000 229 .230 66 -0.10 -0.08 0.02 0.45 0.33 0.22 7.0591 2 61 0.51 20 0.67 0.52 0.52 1.000 230 .231 67 0.01 0.05 0.04 0.51 0.44 0.20 12.838 3 57 0.51 18 0.67 0.52 0.52 1.000 231 .232 60 -0.01 0.03 -0.02 0.44 0.35 0.20 6.861 2 67 0.47 18 0.67 0.52 0.52 1.000 232 .233 75 -0.20 0.02 0.01 0.50 0.34 0.19 11.177 3 53 0.57 18 0.67 0.52 0.52 1.000 233 .234 62 -0.09 -0.00 0.04 0.44 0.38 0.18 7.2187 2 58 0.47 19 0.67 0.52 0.52 1.000 234 .235 59 -0.12 0.02 0.05 0.50 0.44 0.21 3.9117 1 76 0.36 18 0.67 0.52 0.52 1.000 235 .236 69 0.06 -0.07 0.02 0.46 0.37 0.21 11.721 3 52 0.47 19 0.67 0.52 0.52 1.000 236 .237 65 -0.15 0.00 0.04 0.51 0.46 0.19 4.9123 2 57 0.50 19 0.67 0.52 0.52 1.000 237 .238 65 -0.12 0.03 0.02 0.56 0.48 0.23 7.5919 3 51 0.49 20 0.67 0.52 0.52 1.000 238 .239 60 -0.18 -0.07 0.04 0.49 0.41 0.19 4.0354 1 58 0.48 18 0.67 0.52 0.52 1.000 239 .240 71 0.10 0.04 -0.01 0.44 0.43 0.22 9.0839 3 61 0.53 19 0.67 0.52 0.52 1.000 Background pixels updated = 79.25% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 240 .241 68 -0.04 -0.02 0.00 0.45 0.39 0.20 6.8713 2 59 0.50 17 0.67 0.52 0.52 1.000 241 .242 69 -0.02 0.02 -0.03 0.49 0.44 0.22 6.5395 2 64 0.48 18 0.67 0.53 0.52 1.000 242 .243 62 -0.17 -0.06 0.01 0.45 0.38 0.20 10.191 3 52 0.54 21 0.67 0.53 0.52 1.000 243 .244 66 -0.03 0.02 0.04 0.60 0.45 0.19 4.7538 2 68 0.45 18 0.67 0.53 0.52 1.000 244 .245 57 -0.11 0.02 0.05 0.49 0.36 0.21 11.162 3 63 0.52 18 0.67 0.53 0.52 1.000 245 .246 68 -0.01 0.04 0.05 0.42 0.41 0.20 7.3243 2 63 0.52 18 0.68 0.53 0.52 1.000 246 .247 67 -0.09 0.05 -0.00 0.52 0.39 0.20 4.9797 2 60 0.47 20 0.68 0.53 0.52 1.000 247 .248 66 -0.02 0.02 0.02 0.37 0.37 0.19 12.248 3 48 0.59 18 0.68 0.53 0.52 1.000 248 .249 60 -0.00 -0.03 0.03 0.44 0.37 0.19 7.5416 2 68 0.47 18 0.68 0.53 0.52 1.000 249 .250 70 -0.12 0.06 0.00 0.54 0.45 0.20 26.806 3 61 0.47 19 0.68 0.53 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 7.7164 1.1725 5.279 35.287 A B C Alpha Beta Gamma Vol 23.4951 25.9342 24.3325 90.000 105.325 90.000 14299.28 0.0089 0.0070 0.0076 0.000 0.012 0.000 12.80 Corrected for goodness of fit: 0.0111 0.0088 0.0095 0.000 0.015 0.000 16.00 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.268 152.337 67.474 Goniometer zeros (deg): 0.0000 0.0719 0.0000 0.1498 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.024 0.525 0.045 0.193 0.639 -0.092 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.81161e+003 1.46710e+003 1.25 3 0 Background pixels updated = 80.03% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 250 .251 64 -0.07 0.11 0.05 0.44 0.46 0.19 4.8438 2 61 0.45 18 0.67 0.52 0.52 1.000 251 .252 51 -0.21 -0.03 0.04 0.56 0.41 0.23 4.9439 2 61 0.44 17 0.67 0.52 0.52 1.000 252 .253 77 -0.05 0.02 -0.01 0.46 0.41 0.19 13.414 4 52 0.57 21 0.67 0.53 0.52 1.000 253 .254 74 -0.11 0.02 0.04 0.49 0.38 0.19 5.6675 2 66 0.45 18 0.67 0.53 0.52 1.000 254 .255 61 -0.15 -0.04 0.04 0.47 0.32 0.18 6.5632 2 62 0.53 18 0.67 0.53 0.52 1.000 255 .256 71 -0.02 0.02 0.04 0.40 0.43 0.21 11.797 3 54 0.55 19 0.67 0.53 0.52 1.000 256 .257 65 -0.07 0.14 0.04 0.50 0.42 0.21 5.7049 2 66 0.46 18 0.67 0.53 0.52 1.000 257 .258 64 0.08 0.01 -0.05 0.47 0.38 0.19 5.6384 2 55 0.49 18 0.67 0.53 0.52 1.000 258 .259 46 0.03 0.00 0.02 0.44 0.40 0.21 11.36 3 54 0.54 18 0.67 0.53 0.52 1.000 259 .260 77 -0.03 -0.02 0.00 0.56 0.33 0.19 4.2626 1 61 0.46 18 0.67 0.53 0.52 1.000 Background pixels updated = 78.29% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 260 .261 70 0.02 0.04 0.01 0.51 0.44 0.20 6.7132 2 69 0.45 18 0.67 0.53 0.52 1.000 261 .262 56 -0.05 0.01 -0.02 0.37 0.35 0.18 10.78 3 57 0.54 19 0.67 0.53 0.52 1.000 262 .263 78 -0.12 0.07 0.05 0.49 0.39 0.20 13.565 3 54 0.55 17 0.67 0.53 0.52 1.000 263 .264 54 -0.10 -0.03 0.03 0.51 0.35 0.24 6.8574 2 65 0.47 19 0.67 0.53 0.52 1.000 264 .265 63 -0.03 0.05 0.01 0.46 0.35 0.20 12.537 3 71 0.51 18 0.67 0.53 0.52 1.000 265 .266 63 -0.08 0.08 0.00 0.50 0.44 0.21 6.9819 2 62 0.48 20 0.67 0.53 0.52 1.000 266 .267 75 -0.15 0.02 0.03 0.51 0.40 0.23 21.001 3 63 0.49 18 0.67 0.53 0.52 1.000 267 .268 67 -0.17 0.06 0.06 0.47 0.40 0.20 7.7241 2 58 0.51 19 0.67 0.53 0.52 1.000 268 .269 64 -0.11 0.05 0.06 0.57 0.38 0.21 8.0762 2 58 0.48 20 0.67 0.53 0.52 1.000 269 .270 64 -0.03 -0.01 0.01 0.57 0.48 0.20 12.013 2 73 0.45 17 0.67 0.53 0.52 1.000 270 .271 77 -0.10 -0.01 0.01 0.60 0.39 0.19 6.0303 1 73 0.40 18 0.67 0.53 0.52 1.000 271 .272 53 -0.00 0.03 -0.03 0.42 0.39 0.20 7.4558 2 62 0.48 17 0.67 0.53 0.52 1.000 272 .273 70 -0.07 -0.02 -0.01 0.50 0.44 0.20 7.8756 2 59 0.45 19 0.67 0.53 0.52 1.000 273 .274 63 0.01 -0.11 -0.00 0.50 0.41 0.21 6.6554 2 68 0.45 19 0.67 0.52 0.52 1.000 274 .275 63 -0.08 0.04 0.03 0.54 0.46 0.21 5.912 2 67 0.44 18 0.67 0.52 0.52 1.000 275 .276 62 -0.01 0.06 -0.01 0.47 0.44 0.20 5.8343 2 56 0.47 19 0.67 0.52 0.52 1.000 276 .277 72 -0.03 -0.03 0.04 0.54 0.38 0.20 8.5089 3 60 0.54 20 0.67 0.52 0.52 1.000 277 .278 68 -0.05 0.04 0.04 0.45 0.43 0.21 14.451 3 63 0.47 18 0.67 0.52 0.52 1.000 278 .279 69 0.05 -0.01 -0.01 0.51 0.34 0.20 7.7992 2 55 0.49 19 0.67 0.52 0.52 1.000 279 .280 62 -0.27 -0.00 0.02 0.51 0.37 0.19 9.7545 3 63 0.48 19 0.67 0.52 0.52 1.000 Background pixels updated = 78.80% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 280 .281 74 -0.09 0.03 0.01 0.43 0.39 0.19 12.323 3 45 0.56 19 0.67 0.52 0.52 1.000 281 .282 64 -0.05 0.04 0.01 0.48 0.39 0.19 5.8866 2 63 0.48 18 0.67 0.52 0.52 1.000 282 .283 53 -0.02 -0.01 -0.00 0.41 0.36 0.21 4.0251 1 72 0.43 20 0.67 0.52 0.52 1.000 283 .284 78 -0.10 0.06 0.02 0.47 0.32 0.20 15.529 3 68 0.48 19 0.67 0.52 0.52 1.000 284 .285 47 0.02 0.08 -0.02 0.39 0.37 0.19 5.7728 2 55 0.51 17 0.67 0.52 0.52 1.000 285 .286 80 -0.01 -0.06 -0.01 0.45 0.42 0.21 6.6582 2 58 0.48 19 0.67 0.52 0.52 1.000 286 .287 67 0.01 -0.11 -0.01 0.47 0.44 0.19 4.1043 2 70 0.45 19 0.67 0.52 0.52 1.000 287 .288 66 0.01 0.01 0.01 0.48 0.34 0.18 14.749 3 61 0.55 18 0.67 0.52 0.52 1.000 288 .289 59 -0.07 -0.01 0.01 0.46 0.40 0.17 17.072 3 66 0.53 18 0.67 0.52 0.52 1.000 289 .290 63 -0.04 0.06 0.02 0.53 0.50 0.21 6.3568 2 59 0.46 19 0.67 0.52 0.52 1.000 290 .291 69 -0.05 0.02 0.01 0.48 0.43 0.22 8.0234 2 65 0.49 18 0.67 0.52 0.52 1.000 291 .292 65 -0.17 -0.09 0.02 0.57 0.34 0.23 15.136 3 66 0.49 18 0.67 0.52 0.52 1.000 292 .293 62 -0.06 0.03 -0.02 0.52 0.44 0.22 5.8023 2 69 0.42 18 0.67 0.52 0.52 1.000 293 .294 72 -0.04 0.09 0.01 0.52 0.40 0.22 4.369 2 69 0.45 18 0.67 0.53 0.52 1.000 294 .295 72 -0.12 -0.07 0.06 0.47 0.45 0.21 11.741 3 58 0.51 19 0.67 0.53 0.52 1.000 295 .296 70 -0.09 0.05 0.05 0.52 0.32 0.20 6.3812 2 60 0.49 17 0.67 0.53 0.52 1.000 296 .297 60 0.03 0.02 0.01 0.47 0.32 0.18 6.1466 2 62 0.49 18 0.67 0.52 0.52 1.000 297 .298 56 -0.11 -0.04 0.00 0.55 0.39 0.18 4.5586 2 63 0.48 18 0.67 0.52 0.52 1.000 298 .299 58 0.08 -0.02 -0.03 0.44 0.45 0.25 9.0107 2 66 0.52 18 0.67 0.52 0.52 1.000 299 .300 70 0.02 0.03 -0.00 0.45 0.40 0.17 7.0355 2 57 0.47 17 0.67 0.52 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 7.7151 1.2452 5.280 33.165 A B C Alpha Beta Gamma Vol 23.4894 25.9399 24.3294 90.000 105.275 90.000 14300.50 0.0085 0.0070 0.0084 0.000 0.011 0.000 12.88 Corrected for goodness of fit: 0.0117 0.0097 0.0115 0.000 0.015 0.000 17.71 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.306 152.299 67.489 Goniometer zeros (deg): 0.0000 0.0796 0.0000 0.2103 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.022 0.357 0.043 0.173 0.679 -0.092 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 2.10731e+003 1.77382e+003 1.37 3 0 BG snapshot written to C:\frames\klat083\work\bgsnap02.002 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999846; Maximum = 0.0220932 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 0 0 1 2 5 10 12 8 4 1 0 0 0 1 1 1 1 0 0 0 0 1 4 8 9 7 3 1 0 1 4 11 23 29 21 9 3 1 0 0 1 1 2 1 1 0 0 0 1 5 11 13 10 4 1 0 1 4 14 31 41 30 13 4 1 0 0 1 1 2 1 1 0 0 0 1 4 8 11 8 4 1 0 1 4 11 24 32 25 11 3 1 0 0 0 1 1 1 0 0 0 0 1 2 4 5 4 1 1 0 1 2 5 11 15 12 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 2 3 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 0 1 1 1 1 1 0 0 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 3 6 6 5 3 1 1 1 2 4 7 8 6 3 1 1 1 1 3 6 7 5 3 1 1 1 4 10 19 23 17 8 3 1 1 4 12 25 31 22 10 4 1 1 4 11 22 27 20 9 3 1 1 7 21 44 57 41 17 5 1 1 8 26 57 74 54 23 6 1 1 6 22 49 64 47 20 6 1 1 8 26 59 79 59 25 7 1 2 9 32 74100 76 33 8 2 1 7 26 62 85 66 28 7 1 1 6 20 45 61 48 21 6 1 1 7 24 55 76 60 27 7 1 1 6 19 45 64 51 23 6 1 1 3 9 20 27 22 10 3 1 1 4 11 24 33 27 13 4 1 1 3 9 19 27 22 11 4 1 1 2 3 6 7 6 3 1 0 1 2 4 7 9 7 4 1 0 1 1 3 6 7 6 3 1 0 0 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 0 0 0 1 1 1 1 1 1 0 0 !Averaged profile: Section 7->9 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 3 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 6 13 16 12 5 2 1 0 1 2 5 6 5 2 1 0 0 0 0 1 1 1 0 0 0 1 4 12 28 38 28 12 3 1 0 1 5 11 15 11 5 1 0 0 0 1 2 3 2 1 0 0 1 4 15 35 49 38 16 4 1 0 1 5 13 18 14 6 1 0 0 0 1 2 4 2 1 0 0 1 3 10 25 35 29 13 4 1 0 1 4 9 13 11 5 1 0 0 0 1 1 2 2 1 0 0 0 1 5 10 14 12 6 2 1 0 1 1 4 5 4 2 1 0 0 0 0 1 1 1 0 0 0 0 1 1 3 4 3 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 80.22% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 300 .301 72 -0.12 0.07 0.03 0.62 0.40 0.20 11.592 3 61 0.50 19 0.67 0.52 0.52 1.000 301 .302 76 0.05 0.02 -0.01 0.48 0.37 0.21 12.091 3 59 0.49 18 0.67 0.52 0.52 1.000 302 .303 56 -0.02 0.06 -0.04 0.57 0.43 0.20 6.5901 2 68 0.45 18 0.67 0.52 0.52 1.000 303 .304 73 -0.08 0.04 0.03 0.49 0.36 0.20 6.6187 2 62 0.53 19 0.67 0.52 0.52 1.000 304 .305 65 -0.03 -0.15 0.02 0.43 0.44 0.21 4.8694 2 71 0.43 19 0.67 0.52 0.52 1.000 305 .306 61 -0.13 -0.05 0.01 0.43 0.42 0.22 11.888 3 64 0.52 20 0.67 0.52 0.52 1.000 306 .307 62 0.02 -0.09 -0.04 0.45 0.38 0.23 10.681 3 61 0.49 19 0.67 0.52 0.52 1.000 307 .308 58 -0.09 0.00 0.04 0.49 0.37 0.21 5.6351 2 74 0.45 19 0.67 0.52 0.52 1.000 308 .309 66 -0.14 0.04 0.02 0.51 0.41 0.22 5.6685 2 61 0.44 20 0.67 0.52 0.52 1.000 309 .310 71 -0.08 0.06 -0.05 0.46 0.36 0.20 8.9452 2 58 0.51 17 0.67 0.52 0.52 1.000 310 .311 78 0.07 0.06 -0.00 0.55 0.38 0.20 5.4531 2 72 0.44 18 0.67 0.52 0.52 1.000 311 .312 62 -0.04 -0.02 0.04 0.48 0.37 0.20 15.565 4 58 0.57 19 0.67 0.52 0.52 1.000 312 .313 61 0.04 0.04 -0.03 0.46 0.37 0.21 6.0863 2 59 0.44 19 0.67 0.52 0.52 1.000 313 .314 48 -0.17 -0.07 0.02 0.56 0.37 0.24 6.5367 2 60 0.50 17 0.67 0.52 0.52 1.000 314 .315 66 -0.13 -0.04 0.07 0.46 0.40 0.20 7.1507 2 64 0.47 20 0.67 0.52 0.52 1.000 315 .316 67 -0.08 0.03 -0.02 0.46 0.40 0.22 9.2162 3 58 0.51 18 0.67 0.52 0.52 1.000 316 .317 75 -0.06 -0.00 0.08 0.50 0.38 0.24 9.0534 2 65 0.50 19 0.67 0.52 0.52 1.000 317 .318 78 -0.17 -0.02 0.02 0.65 0.40 0.20 6.6646 2 69 0.48 17 0.67 0.52 0.52 1.000 318 .319 59 -0.18 0.07 0.07 0.60 0.37 0.20 7.4908 2 58 0.48 18 0.67 0.52 0.52 1.000 319 .320 60 -0.06 0.01 -0.01 0.43 0.36 0.22 8.1171 2 60 0.53 19 0.67 0.52 0.52 1.000 Background pixels updated = 80.21% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 320 .321 69 -0.06 0.08 0.03 0.47 0.40 0.17 17.173 3 57 0.56 18 0.67 0.52 0.52 1.000 321 .322 63 0.00 0.04 0.01 0.42 0.32 0.20 24.565 3 59 0.49 17 0.67 0.52 0.52 1.000 322 .323 57 -0.15 -0.06 0.01 0.57 0.36 0.22 9.3657 2 70 0.50 18 0.67 0.52 0.52 1.000 323 .324 60 -0.11 0.07 0.03 0.50 0.35 0.19 8.9689 2 65 0.45 19 0.67 0.52 0.52 1.000 324 .325 83 0.05 -0.03 -0.01 0.51 0.39 0.23 8.1723 2 55 0.46 20 0.67 0.53 0.52 1.000 325 .326 74 -0.02 0.05 0.02 0.54 0.37 0.19 6.0179 2 59 0.51 19 0.67 0.53 0.52 1.000 326 .327 67 -0.11 -0.04 0.05 0.51 0.40 0.22 5.9818 2 66 0.46 18 0.67 0.53 0.52 1.000 327 .328 58 -0.11 0.07 0.01 0.63 0.35 0.21 9.462 2 66 0.50 18 0.67 0.53 0.52 1.000 328 .329 60 -0.09 -0.01 0.07 0.47 0.41 0.19 10.938 2 63 0.50 17 0.67 0.53 0.52 1.000 329 .330 65 -0.05 -0.07 -0.01 0.47 0.41 0.19 7.3602 2 62 0.48 17 0.67 0.53 0.52 1.000 330 .331 64 0.07 -0.02 0.02 0.44 0.39 0.22 18.002 4 63 0.50 19 0.67 0.53 0.52 1.000 331 .332 71 -0.02 -0.02 0.04 0.52 0.33 0.23 6.4147 2 61 0.48 20 0.67 0.53 0.52 1.000 332 .333 70 -0.08 0.06 0.06 0.47 0.37 0.23 14.087 3 66 0.48 19 0.67 0.53 0.52 1.000 333 .334 80 0.04 0.02 0.02 0.46 0.36 0.20 6.1781 2 79 0.42 20 0.67 0.53 0.52 1.000 334 .335 68 -0.11 0.00 0.05 0.45 0.35 0.20 18.245 4 59 0.56 20 0.67 0.53 0.52 1.000 335 .336 46 -0.04 0.03 -0.02 0.47 0.36 0.18 7.7183 2 67 0.47 18 0.67 0.53 0.52 1.000 336 .337 60 -0.01 0.06 0.02 0.48 0.35 0.20 12.332 3 58 0.51 19 0.67 0.53 0.52 1.000 337 .338 68 -0.05 -0.04 0.00 0.52 0.39 0.19 8.151 2 56 0.53 17 0.67 0.53 0.52 1.000 338 .339 64 -0.04 0.07 0.07 0.47 0.42 0.20 11.772 3 64 0.52 19 0.67 0.53 0.52 1.000 339 .340 73 -0.13 0.06 0.05 0.52 0.45 0.21 4.9253 2 60 0.40 18 0.67 0.53 0.52 1.000 Background pixels updated = 79.33% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 340 .341 70 -0.06 0.05 0.02 0.47 0.35 0.21 5.7946 2 60 0.45 18 0.67 0.53 0.52 1.000 341 .342 77 -0.06 0.12 0.04 0.46 0.42 0.22 6.745 2 64 0.47 18 0.67 0.53 0.52 1.000 342 .343 62 -0.13 -0.03 0.06 0.45 0.40 0.20 10.338 3 65 0.52 18 0.67 0.53 0.52 1.000 343 .344 66 -0.02 0.08 -0.05 0.48 0.41 0.19 10.184 3 58 0.54 18 0.67 0.53 0.52 1.000 344 .345 51 -0.09 0.11 -0.00 0.60 0.40 0.21 7.284 2 63 0.50 18 0.67 0.53 0.52 1.000 345 .346 55 -0.04 0.01 -0.00 0.55 0.36 0.18 7.249 2 67 0.47 17 0.67 0.53 0.52 1.000 346 .347 73 0.03 -0.00 0.03 0.50 0.38 0.20 7.3527 2 64 0.49 20 0.67 0.53 0.52 1.000 347 .348 58 -0.08 -0.03 -0.02 0.49 0.40 0.19 5.1162 2 76 0.45 21 0.67 0.53 0.52 1.000 348 .349 79 -0.07 0.04 -0.02 0.50 0.43 0.21 6.6901 2 63 0.45 19 0.67 0.53 0.52 1.000 349 .350 82 -0.07 -0.02 -0.01 0.54 0.40 0.23 7.4831 2 49 0.52 19 0.67 0.53 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 8.8864 1.1071 4.584 37.444 A B C Alpha Beta Gamma Vol 23.5071 25.9430 24.3262 90.000 105.227 90.000 14314.36 0.0080 0.0067 0.0093 0.000 0.010 0.000 12.91 Corrected for goodness of fit: 0.0108 0.0091 0.0125 0.000 0.014 0.000 17.40 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.357 152.299 67.504 Goniometer zeros (deg): 0.0000 0.1056 0.0000 0.2325 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.130 0.144 0.042 0.175 0.720 -0.167 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.88136e+003 1.70544e+003 1.35 3 0 Background pixels updated = 78.88% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 350 .351 61 -0.03 0.05 -0.00 0.40 0.38 0.25 8.8419 2 62 0.45 18 0.67 0.53 0.52 1.000 351 .352 67 -0.11 -0.03 0.02 0.44 0.38 0.18 9.5143 2 66 0.47 18 0.67 0.53 0.52 1.000 352 .353 55 -0.03 0.06 -0.06 0.42 0.40 0.17 8.9075 3 64 0.51 20 0.67 0.53 0.52 1.000 353 .354 64 -0.07 0.05 0.01 0.53 0.40 0.21 4.8614 2 69 0.44 18 0.67 0.53 0.52 1.000 354 .355 65 -0.10 -0.02 0.01 0.52 0.29 0.19 6.8737 2 68 0.53 20 0.67 0.53 0.52 1.000 355 .356 64 -0.07 0.04 0.00 0.44 0.38 0.17 19.013 4 53 0.55 19 0.67 0.53 0.52 1.000 356 .357 69 -0.13 0.00 0.02 0.40 0.37 0.18 7.1179 2 55 0.49 18 0.67 0.53 0.52 1.000 357 .358 56 -0.17 -0.05 0.06 0.52 0.36 0.21 6.9656 2 61 0.49 19 0.67 0.53 0.52 1.000 358 .359 73 -0.05 -0.03 -0.02 0.42 0.37 0.18 7.3276 2 53 0.50 19 0.67 0.53 0.52 1.000 359 .360 77 -0.00 0.01 -0.02 0.43 0.31 0.18 8.3222 2 61 0.54 18 0.67 0.53 0.52 1.000 Background pixels updated = 78.29% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 360 .361 79 -0.10 0.05 0.02 0.46 0.32 0.20 5.907 2 68 0.46 18 0.67 0.53 0.52 1.000 361 .362 43 0.02 -0.02 -0.04 0.43 0.45 0.20 4.6281 1 72 0.42 17 0.67 0.53 0.52 1.000 362 .363 54 0.02 0.01 -0.02 0.48 0.41 0.17 8.737 3 44 0.55 19 0.67 0.53 0.52 1.000 363 .364 55 -0.06 0.02 0.01 0.40 0.30 0.22 10.752 2 62 0.47 18 0.67 0.53 0.52 1.000 364 .365 73 0.03 -0.07 -0.01 0.47 0.39 0.19 9.9815 2 59 0.54 20 0.67 0.53 0.52 1.000 365 .366 67 -0.10 0.04 -0.01 0.47 0.40 0.20 23.791 4 69 0.51 20 0.68 0.53 0.52 1.000 366 .367 66 -0.05 -0.06 -0.02 0.51 0.37 0.17 5.7848 2 67 0.50 18 0.67 0.53 0.52 1.000 367 .368 68 0.02 -0.00 -0.02 0.46 0.44 0.20 4.8538 2 63 0.43 18 0.68 0.53 0.52 1.000 368 .369 77 -0.09 0.03 0.05 0.44 0.35 0.20 27.417 4 57 0.52 19 0.68 0.53 0.52 1.000 369 .370 70 -0.07 -0.00 -0.02 0.41 0.36 0.22 8.1837 3 46 0.49 20 0.68 0.53 0.52 1.000 370 .371 73 -0.09 -0.05 0.05 0.47 0.34 0.17 8.7354 2 60 0.48 18 0.68 0.53 0.52 1.000 371 .372 52 -0.12 -0.03 0.04 0.40 0.45 0.22 12.642 3 52 0.51 19 0.68 0.53 0.52 1.000 372 .373 68 -0.10 0.03 0.03 0.48 0.47 0.19 6.6918 2 59 0.49 19 0.68 0.53 0.52 1.000 373 .374 61 -0.07 -0.06 0.02 0.41 0.42 0.21 9.8156 3 59 0.54 18 0.68 0.53 0.52 1.000 374 .375 54 -0.05 -0.03 -0.02 0.48 0.39 0.21 8.2431 2 57 0.49 18 0.68 0.53 0.52 1.000 375 .376 76 -0.12 0.02 -0.03 0.50 0.36 0.20 5.3636 2 64 0.48 18 0.68 0.53 0.52 1.000 376 .377 66 -0.06 0.07 0.04 0.45 0.40 0.21 12.567 3 55 0.50 16 0.68 0.53 0.52 1.000 377 .378 63 0.01 0.07 0.01 0.41 0.41 0.21 10.579 2 57 0.48 20 0.68 0.53 0.52 1.000 378 .379 63 -0.17 0.08 0.00 0.49 0.43 0.20 8.1568 2 59 0.50 19 0.68 0.53 0.52 1.000 379 .380 87 -0.06 0.01 0.00 0.50 0.34 0.24 6.9614 2 59 0.45 18 0.68 0.53 0.52 1.000 Background pixels updated = 79.27% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 380 .381 75 -0.04 0.03 -0.03 0.55 0.33 0.21 8.3918 2 61 0.51 18 0.68 0.53 0.52 1.000 381 .382 55 -0.03 0.02 0.04 0.41 0.39 0.21 3.8368 1 71 0.43 19 0.67 0.53 0.52 1.000 382 .383 61 -0.10 -0.01 0.01 0.41 0.40 0.19 12.98 3 66 0.54 19 0.67 0.53 0.52 1.000 383 .384 55 -0.09 0.08 -0.01 0.47 0.45 0.19 10.411 2 56 0.51 18 0.67 0.53 0.52 1.000 384 .385 64 -0.02 0.05 -0.03 0.41 0.37 0.19 3.7869 1 73 0.39 18 0.67 0.53 0.52 1.000 385 .386 57 -0.11 -0.04 0.01 0.54 0.43 0.22 8.2042 2 61 0.44 19 0.67 0.53 0.52 1.000 386 .387 75 -0.09 -0.04 0.02 0.42 0.43 0.19 8.015 2 52 0.48 20 0.67 0.53 0.52 1.000 387 .388 68 -0.11 -0.02 0.05 0.43 0.34 0.22 6.9242 2 50 0.51 18 0.67 0.53 0.52 1.000 388 .389 67 -0.06 -0.04 -0.03 0.44 0.36 0.19 9.751 2 63 0.44 18 0.67 0.53 0.52 1.000 389 .390 72 -0.05 -0.03 -0.01 0.59 0.41 0.17 6.9008 2 58 0.49 18 0.67 0.53 0.52 1.000 390 .391 69 -0.07 -0.06 -0.02 0.42 0.40 0.24 6.6828 2 59 0.50 19 0.67 0.53 0.52 1.000 391 .392 69 -0.06 0.02 0.00 0.44 0.40 0.24 9.7557 2 62 0.52 18 0.67 0.53 0.52 1.000 392 .393 78 -0.12 0.02 0.00 0.47 0.40 0.20 9.1597 3 63 0.46 20 0.67 0.53 0.52 1.000 393 .394 54 -0.16 -0.07 0.01 0.51 0.36 0.26 14.178 3 48 0.48 19 0.67 0.53 0.52 1.000 394 .395 64 -0.18 -0.08 0.06 0.53 0.41 0.20 5.422 2 70 0.45 19 0.67 0.53 0.52 1.000 395 .396 52 -0.02 0.04 0.03 0.48 0.41 0.18 9.6974 3 58 0.54 19 0.67 0.53 0.52 1.000 396 .397 72 -0.12 -0.06 0.03 0.48 0.42 0.23 9.2662 2 65 0.48 17 0.67 0.53 0.52 1.000 397 .398 69 -0.06 -0.01 -0.03 0.48 0.38 0.21 10.41 3 61 0.50 19 0.67 0.53 0.52 1.000 398 .399 51 -0.08 -0.03 0.04 0.43 0.37 0.23 7.9452 3 61 0.50 20 0.67 0.53 0.52 1.000 399 .400 69 -0.03 -0.02 0.02 0.36 0.37 0.20 11.308 3 64 0.54 19 0.67 0.53 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 8.8787 1.1067 4.588 37.458 A B C Alpha Beta Gamma Vol 23.5086 25.9417 24.3018 90.000 105.252 90.000 14298.48 0.0079 0.0069 0.0099 0.000 0.010 0.000 13.38 Corrected for goodness of fit: 0.0109 0.0094 0.0136 0.000 0.013 0.000 18.40 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.351 152.290 67.498 Goniometer zeros (deg): 0.0000 0.1193 0.0000 0.2393 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw 0.021 0.189 0.042 0.178 0.712 -0.137 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.92194e+003 1.77663e+003 1.38 3 0 BG snapshot written to C:\frames\klat083\work\bgsnap02.003 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999886; Maximum = 0.0217491 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 2 3 4 3 1 1 0 0 0 0 1 1 0 0 0 0 0 1 2 4 4 3 1 0 0 1 2 6 11 13 9 4 1 0 0 0 1 1 2 1 0 0 0 0 1 4 8 10 7 3 1 0 1 4 11 24 31 22 10 3 1 0 0 1 2 3 2 1 0 0 0 1 5 11 14 10 4 1 0 1 5 14 32 43 32 14 4 1 0 0 1 2 2 1 1 0 0 0 1 4 9 12 9 4 1 0 1 4 11 25 34 26 11 3 1 0 0 0 1 1 1 0 0 0 0 1 2 4 5 4 1 1 0 1 2 6 11 15 12 6 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 2 4 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 0 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 4 6 7 5 3 1 0 1 2 4 7 9 7 4 1 1 1 2 4 6 7 6 3 1 1 1 4 10 20 24 18 8 3 1 1 5 13 25 32 24 11 4 1 1 4 10 21 27 20 10 3 1 1 7 20 45 58 43 19 5 1 1 8 25 56 74 56 24 7 1 1 6 20 47 63 48 21 6 1 1 8 26 59 80 61 26 7 1 2 9 31 73100 78 34 9 2 1 7 25 60 83 66 29 8 1 1 6 20 45 62 48 21 6 1 1 7 23 54 76 61 27 8 1 1 6 19 44 62 51 23 7 1 1 4 10 20 27 22 10 4 1 1 4 11 24 33 27 13 5 1 1 3 9 19 27 22 11 4 1 1 2 4 6 8 6 4 1 1 1 2 4 7 9 8 4 2 1 1 2 3 6 7 6 4 2 1 0 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 0 !Averaged profile: Section 7->9 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 4 4 2 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 2 6 12 16 12 6 2 1 0 1 2 5 6 5 2 1 0 0 0 0 1 1 1 1 0 0 1 3 11 26 36 28 12 4 1 0 1 4 10 13 11 5 1 0 0 0 1 2 2 2 1 0 0 1 4 14 33 47 38 17 5 1 0 1 5 12 17 14 6 2 0 0 0 1 2 3 2 1 0 0 1 3 10 24 34 29 14 4 1 0 1 3 8 12 10 5 2 0 0 0 1 1 2 2 1 0 0 1 1 5 10 14 13 7 2 1 0 1 1 3 5 5 2 1 0 0 0 0 1 1 1 1 0 0 0 1 1 3 4 4 2 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 80.67% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 400 .401 64 -0.03 -0.04 0.04 0.50 0.43 0.22 10.428 2 63 0.49 19 0.67 0.53 0.52 1.000 401 .402 78 -0.02 0.03 0.01 0.44 0.34 0.18 4.6113 2 67 0.42 18 0.67 0.53 0.52 1.000 402 .403 66 -0.03 0.06 -0.00 0.43 0.42 0.21 8.7494 2 58 0.51 18 0.67 0.53 0.52 1.000 403 .404 72 -0.01 0.06 -0.00 0.52 0.46 0.22 6.6142 2 63 0.48 19 0.67 0.53 0.52 1.000 404 .405 71 -0.03 -0.03 -0.03 0.47 0.36 0.20 7.1599 2 63 0.51 19 0.67 0.53 0.52 1.000 405 .406 72 -0.17 0.05 0.04 0.48 0.44 0.20 7.5781 2 61 0.51 19 0.67 0.53 0.52 1.000 406 .407 68 0.00 0.01 0.03 0.36 0.42 0.20 7.8748 2 59 0.46 20 0.67 0.53 0.52 1.000 407 .408 56 -0.12 0.12 -0.02 0.51 0.44 0.17 32.374 4 57 0.46 19 0.67 0.53 0.52 1.000 408 .409 73 -0.00 -0.06 -0.02 0.51 0.38 0.19 4.2469 1 78 0.40 18 0.67 0.53 0.52 1.000 409 .410 46 -0.12 -0.01 -0.00 0.42 0.43 0.24 4.0169 1 78 0.39 18 0.67 0.53 0.52 1.000 410 .411 64 0.06 0.11 -0.02 0.47 0.37 0.21 13.657 3 55 0.58 18 0.67 0.53 0.52 1.000 411 .412 69 -0.05 0.07 0.01 0.50 0.34 0.18 8.1012 2 57 0.45 18 0.67 0.53 0.52 1.000 412 .413 73 -0.04 0.02 0.02 0.43 0.33 0.20 8.8303 2 60 0.47 19 0.67 0.53 0.52 1.000 413 .414 54 0.01 0.00 0.03 0.54 0.40 0.23 10.243 3 56 0.49 19 0.67 0.53 0.52 1.000 414 .415 65 -0.10 0.02 0.03 0.46 0.43 0.21 7.5816 3 60 0.50 19 0.67 0.53 0.52 1.000 415 .416 65 -0.02 0.02 0.01 0.41 0.37 0.17 9.4918 3 54 0.51 19 0.67 0.53 0.52 1.000 416 .417 84 -0.04 -0.05 -0.03 0.44 0.37 0.19 7.523 2 51 0.46 18 0.67 0.53 0.52 1.000 417 .418 64 -0.09 0.04 0.00 0.46 0.38 0.22 12.64 3 55 0.57 21 0.67 0.53 0.52 1.000 418 .419 70 -0.03 0.01 0.02 0.45 0.39 0.22 7.7265 2 57 0.44 20 0.67 0.53 0.52 1.000 419 .420 62 -0.14 0.05 -0.00 0.45 0.36 0.21 9.2737 2 66 0.50 17 0.67 0.53 0.52 1.000 Background pixels updated = 80.83% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 420 .421 70 -0.05 0.02 0.05 0.52 0.47 0.21 7.4884 2 60 0.49 19 0.67 0.53 0.52 1.000 421 .422 78 -0.12 0.05 0.01 0.43 0.38 0.23 10.197 2 56 0.54 17 0.67 0.53 0.52 1.000 422 .423 60 -0.11 -0.06 0.07 0.47 0.41 0.19 5.6713 2 60 0.43 18 0.67 0.53 0.52 1.000 423 .424 62 -0.10 0.08 0.03 0.43 0.30 0.20 11.814 3 55 0.46 20 0.67 0.52 0.52 1.000 424 .425 71 -0.02 -0.01 -0.05 0.45 0.42 0.21 6.5113 2 59 0.46 17 0.66 0.52 0.52 1.000 425 .426 56 0.03 0.02 -0.02 0.52 0.37 0.22 8.795 2 68 0.47 18 0.66 0.52 0.52 1.000 426 .427 52 -0.08 0.01 0.02 0.50 0.38 0.19 8.0037 2 62 0.46 18 0.66 0.52 0.52 1.000 427 .428 67 -0.12 -0.06 0.02 0.47 0.37 0.24 9.0478 2 54 0.53 18 0.66 0.52 0.52 1.000 428 .429 68 -0.06 -0.01 -0.00 0.49 0.40 0.21 8.2074 2 68 0.49 18 0.67 0.52 0.52 1.000 429 .430 70 -0.09 0.00 -0.00 0.45 0.42 0.21 6.6193 2 56 0.46 18 0.67 0.53 0.52 1.000 430 .431 60 -0.11 0.02 -0.02 0.49 0.35 0.19 5.8761 2 63 0.48 18 0.66 0.52 0.52 1.000 431 .432 63 -0.08 0.09 -0.03 0.41 0.39 0.19 10.591 3 49 0.54 18 0.66 0.52 0.52 1.000 432 .433 68 0.03 0.07 0.00 0.38 0.36 0.21 8.9801 2 63 0.50 19 0.66 0.52 0.52 1.000 433 .434 66 -0.13 0.03 0.02 0.42 0.44 0.18 12.189 3 56 0.50 18 0.66 0.52 0.52 1.000 434 .435 65 -0.08 0.13 0.06 0.52 0.44 0.21 9.0209 3 49 0.48 20 0.66 0.52 0.52 1.000 435 .436 74 -0.04 0.05 -0.02 0.40 0.40 0.18 8.3427 2 65 0.52 18 0.66 0.52 0.52 1.000 436 .437 63 -0.11 0.01 0.05 0.45 0.37 0.19 6.4307 2 59 0.48 18 0.66 0.52 0.52 1.000 437 .438 68 -0.06 0.05 -0.00 0.46 0.32 0.19 9.7427 2 62 0.52 19 0.66 0.52 0.52 1.000 438 .439 69 -0.11 -0.02 0.03 0.46 0.40 0.20 21.894 4 48 0.57 19 0.66 0.52 0.52 1.000 439 .440 68 -0.02 0.04 0.01 0.41 0.33 0.20 13.322 3 44 0.57 20 0.66 0.52 0.52 1.000 Background pixels updated = 80.51% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 440 .441 70 -0.07 0.06 -0.01 0.41 0.36 0.21 11.764 3 51 0.56 19 0.66 0.52 0.52 1.000 441 .442 75 -0.06 0.03 -0.01 0.47 0.38 0.20 6.4548 2 64 0.52 18 0.66 0.52 0.52 1.000 442 .443 78 -0.12 0.06 0.03 0.45 0.37 0.20 9.6942 2 46 0.53 19 0.66 0.52 0.52 1.000 443 .444 57 -0.14 0.04 -0.00 0.54 0.37 0.20 9.6353 2 63 0.47 18 0.66 0.52 0.52 1.000 444 .445 56 0.04 0.05 -0.00 0.39 0.43 0.22 7.4324 2 46 0.44 18 0.66 0.52 0.52 1.000 445 .446 71 -0.06 0.05 0.02 0.43 0.41 0.20 12.265 3 62 0.46 18 0.66 0.52 0.52 1.000 446 .447 59 -0.10 0.00 0.03 0.51 0.45 0.19 9.3008 2 58 0.52 18 0.66 0.52 0.52 1.000 447 .448 64 0.07 0.05 0.03 0.52 0.41 0.23 4.8455 2 63 0.38 18 0.66 0.52 0.52 1.000 448 .449 59 -0.09 0.05 0.01 0.40 0.47 0.19 7.1977 2 59 0.48 18 0.66 0.52 0.52 1.000 449 .450 66 -0.16 0.10 0.04 0.49 0.40 0.22 10.586 2 70 0.47 19 0.66 0.52 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 8.8724 1.1063 4.591 37.473 A B C Alpha Beta Gamma Vol 23.5141 25.9365 24.2962 90.000 105.317 90.000 14291.30 0.0075 0.0069 0.0098 0.000 0.010 0.000 13.38 Corrected for goodness of fit: 0.0097 0.0089 0.0126 0.000 0.013 0.000 17.25 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.295 152.259 67.490 Goniometer zeros (deg): 0.0000 0.1258 0.0000 0.2356 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.069 0.456 0.041 0.223 0.657 -0.140 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.94698e+003 1.56153e+003 1.29 3 0 Background pixels updated = 79.96% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 450 .451 71 0.01 0.10 -0.04 0.49 0.35 0.19 10.778 3 46 0.53 18 0.66 0.52 0.52 1.000 451 .452 60 -0.04 0.05 -0.00 0.50 0.41 0.20 6.4491 2 62 0.46 17 0.66 0.52 0.52 1.000 452 .453 64 0.03 -0.05 0.02 0.34 0.35 0.22 8.3379 3 64 0.48 20 0.66 0.52 0.52 1.000 453 .454 60 -0.07 0.03 -0.02 0.50 0.35 0.19 13.448 3 57 0.48 18 0.66 0.52 0.52 1.000 454 .455 64 -0.02 -0.04 0.01 0.39 0.44 0.21 7.0459 2 63 0.48 18 0.66 0.52 0.52 1.000 455 .456 73 -0.05 0.00 -0.00 0.56 0.44 0.20 8.4513 2 64 0.45 18 0.66 0.52 0.52 1.000 456 .457 72 -0.09 0.04 0.01 0.45 0.37 0.18 22.358 3 58 0.56 18 0.66 0.52 0.52 1.000 457 .458 54 -0.13 -0.04 0.06 0.57 0.39 0.20 9.8767 2 63 0.49 18 0.66 0.52 0.52 1.000 458 .459 64 -0.01 -0.01 -0.00 0.43 0.36 0.21 4.6073 2 58 0.40 18 0.66 0.52 0.52 1.000 459 .460 71 -0.06 -0.04 -0.01 0.46 0.33 0.21 9.8705 3 48 0.52 19 0.66 0.52 0.52 1.000 Background pixels updated = 78.79% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 460 .461 67 -0.12 0.00 -0.00 0.46 0.40 0.20 9.2195 2 60 0.50 18 0.66 0.52 0.52 1.000 461 .462 77 -0.07 -0.01 -0.02 0.45 0.42 0.20 5.68 2 68 0.45 17 0.66 0.52 0.52 1.000 462 .463 52 0.01 0.12 0.01 0.41 0.46 0.19 11.246 3 54 0.51 18 0.66 0.52 0.52 1.000 463 .464 68 -0.10 -0.05 0.02 0.45 0.36 0.19 8.1191 2 57 0.50 19 0.66 0.52 0.52 1.000 464 .465 56 0.01 0.03 0.01 0.43 0.47 0.19 7.1958 2 66 0.47 18 0.66 0.52 0.52 1.000 465 .466 75 -0.11 0.08 0.01 0.40 0.34 0.20 9.7803 3 44 0.52 18 0.66 0.52 0.52 1.000 466 .467 69 -0.14 0.03 -0.02 0.54 0.38 0.18 13.039 3 46 0.55 19 0.66 0.52 0.52 1.000 467 .468 81 -0.06 0.02 -0.03 0.50 0.39 0.22 6.6276 2 65 0.47 19 0.66 0.52 0.52 1.000 468 .469 63 -0.11 0.08 -0.01 0.41 0.39 0.23 8.2153 3 59 0.52 20 0.66 0.52 0.52 1.000 469 .470 58 -0.07 0.07 -0.01 0.52 0.38 0.21 9.5775 3 62 0.53 20 0.66 0.52 0.52 1.000 470 .471 67 -0.05 -0.03 -0.01 0.44 0.35 0.23 7.4941 2 60 0.47 19 0.66 0.52 0.52 1.000 471 .472 64 -0.07 -0.01 0.01 0.55 0.38 0.22 12.825 3 52 0.55 19 0.66 0.52 0.52 1.000 472 .473 66 -0.12 0.01 -0.02 0.56 0.40 0.20 7.6006 2 61 0.45 17 0.66 0.52 0.52 1.000 473 .474 82 -0.10 0.11 -0.01 0.50 0.47 0.20 8.0691 2 62 0.48 19 0.67 0.52 0.52 1.000 474 .475 65 -0.17 0.03 0.02 0.51 0.40 0.21 18.357 4 46 0.55 19 0.67 0.52 0.52 1.000 475 .476 56 -0.13 -0.03 0.00 0.42 0.40 0.24 14.369 4 55 0.57 22 0.67 0.52 0.52 1.000 476 .477 69 -0.06 -0.01 -0.01 0.40 0.37 0.18 7.9596 2 55 0.48 18 0.67 0.52 0.52 1.000 477 .478 61 -0.02 -0.03 -0.02 0.37 0.36 0.18 8.4359 3 46 0.54 19 0.67 0.52 0.52 1.000 478 .479 71 -0.13 0.05 -0.01 0.49 0.40 0.21 6.564 2 68 0.44 18 0.67 0.52 0.52 1.000 479 .480 78 -0.06 0.01 -0.04 0.49 0.35 0.19 9.6244 2 59 0.51 19 0.67 0.52 0.52 1.000 Background pixels updated = 79.80% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 480 .481 73 -0.03 -0.05 -0.00 0.43 0.43 0.19 6.2328 2 63 0.43 20 0.67 0.52 0.52 1.000 481 .482 53 -0.11 0.06 -0.00 0.45 0.43 0.23 38.423 5 60 0.61 21 0.67 0.52 0.52 1.000 482 .483 65 -0.05 0.02 -0.04 0.42 0.38 0.19 17.233 3 71 0.50 21 0.67 0.52 0.52 1.000 483 .484 57 -0.06 0.03 0.01 0.48 0.36 0.20 7.2428 2 61 0.52 16 0.67 0.52 0.52 1.000 484 .485 74 -0.03 0.08 -0.04 0.55 0.41 0.22 7.033 2 64 0.44 19 0.67 0.52 0.52 1.000 485 .486 64 -0.10 0.05 0.03 0.47 0.39 0.23 7.3732 2 61 0.51 19 0.67 0.52 0.52 1.000 486 .487 79 -0.03 0.06 -0.02 0.40 0.39 0.20 7.6959 2 54 0.47 18 0.67 0.52 0.52 1.000 487 .488 64 -0.06 0.07 -0.01 0.37 0.39 0.21 10.894 3 52 0.46 17 0.67 0.52 0.52 1.000 488 .489 65 -0.05 -0.03 -0.03 0.48 0.32 0.20 11.965 3 54 0.53 18 0.67 0.52 0.52 1.000 489 .490 58 -0.03 -0.06 -0.04 0.38 0.37 0.19 16.333 4 48 0.58 19 0.67 0.52 0.52 1.000 490 .491 65 -0.02 0.05 -0.01 0.46 0.39 0.23 8.5812 3 57 0.49 19 0.67 0.52 0.52 1.000 491 .492 66 -0.11 0.02 0.00 0.48 0.43 0.19 9.4117 2 62 0.51 18 0.67 0.52 0.52 1.000 492 .493 70 -0.11 0.12 0.00 0.48 0.37 0.19 7.838 2 57 0.47 20 0.66 0.52 0.52 1.000 493 .494 81 -0.09 0.05 0.00 0.49 0.35 0.18 11.618 3 56 0.55 19 0.66 0.52 0.52 1.000 494 .495 62 -0.13 0.03 0.01 0.52 0.40 0.18 6.0411 2 47 0.47 18 0.66 0.52 0.52 1.000 495 .496 54 -0.14 0.05 0.01 0.53 0.35 0.23 7.2106 2 59 0.52 19 0.66 0.52 0.52 1.000 496 .497 67 -0.08 0.04 -0.03 0.51 0.28 0.23 10.577 3 52 0.49 21 0.66 0.52 0.52 1.000 497 .498 62 0.07 0.02 -0.03 0.32 0.40 0.22 27.858 4 55 0.55 19 0.66 0.52 0.52 1.000 498 .499 74 -0.15 -0.02 0.02 0.55 0.39 0.20 5.0745 2 73 0.46 17 0.66 0.52 0.52 1.000 499 .500 61 -0.12 0.03 -0.00 0.40 0.40 0.22 6.8126 2 59 0.48 21 0.66 0.52 0.52 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 8.5366 1.3139 4.772 31.383 A B C Alpha Beta Gamma Vol 23.5208 25.9431 24.3219 90.000 105.405 90.000 14308.05 0.0080 0.0073 0.0099 0.000 0.012 0.000 14.30 Corrected for goodness of fit: 0.0102 0.0094 0.0126 0.000 0.015 0.000 18.32 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.210 152.236 67.469 Goniometer zeros (deg): 0.0000 0.1376 0.0000 0.2385 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.115 0.803 0.041 0.194 0.588 -0.172 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 2.16372e+003 1.54087e+003 1.28 3 0 BG snapshot written to C:\frames\klat083\work\bgsnap02.004 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.99992; Maximum = 0.0222936 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 4 4 3 1 1 0 0 0 1 1 1 1 0 0 0 0 1 2 4 5 4 1 0 0 1 2 6 11 14 10 5 1 0 0 1 1 2 2 1 1 0 0 0 1 5 10 12 8 4 1 0 1 4 12 26 34 25 11 3 0 0 1 1 3 4 2 1 0 0 0 2 6 14 17 12 5 1 0 1 5 16 36 48 35 15 4 1 0 0 1 2 3 2 1 0 0 0 1 5 11 14 10 4 1 0 1 4 12 28 37 27 12 3 1 0 0 1 1 1 1 0 0 0 0 1 2 5 6 4 1 1 0 0 2 6 13 16 12 5 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 2 4 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 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 0 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 0 0 0 1 1 1 1 1 1 0 0 1 2 3 6 7 5 3 1 0 1 2 4 7 8 7 4 1 0 1 1 3 5 7 6 3 1 0 1 4 9 19 25 19 9 3 1 1 4 11 23 31 25 12 4 1 1 3 8 18 25 20 10 3 1 1 6 19 45 61 46 20 6 1 1 7 22 53 74 58 26 7 1 1 5 17 41 59 48 21 6 1 1 7 25 61 83 64 27 7 1 2 8 29 71100 79 34 9 2 1 6 22 54 79 64 28 7 1 1 6 20 47 64 49 21 6 1 1 6 22 54 76 60 27 7 1 1 5 17 41 59 48 22 6 1 1 3 10 21 28 22 10 3 1 1 4 11 24 33 26 12 4 1 1 3 8 18 25 21 10 4 1 1 1 3 6 7 6 3 1 1 1 1 4 7 9 7 4 2 1 0 1 3 5 7 6 4 2 1 0 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 0 !Averaged profile: Section 7->9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 10 14 11 6 2 0 0 1 1 3 5 4 2 1 0 0 0 0 1 1 1 0 0 0 1 3 9 22 32 26 12 4 1 0 1 3 7 11 9 4 1 0 0 0 0 1 2 2 1 0 0 1 3 11 28 42 35 16 4 1 0 1 4 9 14 12 6 1 0 0 0 1 1 3 2 1 0 0 1 3 8 21 31 26 12 4 1 0 1 3 6 10 9 5 1 0 0 0 0 1 1 1 1 0 0 0 1 4 9 13 11 6 2 1 0 0 1 3 4 4 2 1 0 0 0 0 0 1 1 0 0 0 0 1 1 3 4 3 2 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 79.07% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 500 .501 83 -0.13 -0.10 -0.00 0.47 0.41 0.22 8.0248 2 55 0.46 19 0.66 0.52 0.52 1.000 501 .502 84 -0.14 0.01 0.01 0.53 0.37 0.30 9.4007 2 73 0.41 20 0.66 0.52 0.52 1.000 502 .503 46 0.08 -0.03 0.02 0.43 0.35 0.22 8.9853 2 57 0.42 19 0.66 0.52 0.52 1.000 503 .504 61 0.06 -0.04 -0.06 0.60 0.43 0.29 9.9393 3 61 0.48 20 0.66 0.52 0.52 1.000 504 .505 60 -0.11 0.02 0.01 0.54 0.31 0.21 31.849 4 53 0.55 17 0.66 0.52 0.52 1.000 505 .506 64 -0.02 0.03 -0.03 0.44 0.47 0.19 11.852 3 50 0.52 19 0.66 0.52 0.52 1.000 506 .507 80 -0.11 -0.00 -0.04 0.43 0.39 0.19 10.394 2 61 0.50 19 0.66 0.52 0.52 1.000 507 .508 68 -0.08 -0.01 -0.02 0.44 0.38 0.20 15.966 3 46 0.51 20 0.66 0.52 0.52 1.000 508 .509 76 -0.01 0.03 -0.04 0.47 0.33 0.22 8.3053 2 50 0.48 18 0.66 0.52 0.52 1.000 509 .510 66 -0.05 -0.03 -0.03 0.47 0.36 0.20 7.7409 2 67 0.51 18 0.66 0.52 0.52 1.000 510 .511 61 -0.04 -0.01 -0.04 0.46 0.41 0.22 7.5062 2 67 0.47 17 0.66 0.52 0.52 1.000 511 .512 51 -0.15 0.03 0.02 0.52 0.40 0.24 4.8322 2 65 0.45 20 0.66 0.52 0.52 1.000 512 .513 70 -0.14 -0.03 0.01 0.55 0.41 0.20 5.3673 2 60 0.45 18 0.66 0.52 0.52 1.000 513 .514 65 -0.05 0.07 -0.02 0.48 0.39 0.20 12.206 3 62 0.51 19 0.66 0.52 0.52 1.000 514 .515 75 -0.14 0.07 0.04 0.57 0.37 0.20 12.988 3 52 0.49 18 0.66 0.52 0.52 1.000 515 .516 65 -0.01 -0.01 -0.01 0.42 0.39 0.21 7.6967 2 60 0.48 18 0.66 0.52 0.52 1.000 516 .517 73 -0.04 -0.02 -0.02 0.45 0.42 0.21 8.2945 2 56 0.47 18 0.66 0.52 0.52 1.000 517 .518 72 -0.21 -0.04 0.00 0.52 0.40 0.21 11.696 3 50 0.56 18 0.66 0.52 0.52 1.000 518 .519 68 -0.06 0.01 -0.04 0.52 0.38 0.20 6.0291 2 57 0.48 19 0.66 0.52 0.52 1.000 519 .520 49 -0.11 0.07 -0.01 0.41 0.35 0.23 20.543 4 47 0.58 17 0.66 0.52 0.52 1.000 Background pixels updated = 80.21% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 520 .521 67 -0.10 0.05 -0.03 0.56 0.40 0.20 7.866 2 61 0.49 18 0.66 0.52 0.52 1.000 521 .522 69 0.04 -0.02 -0.04 0.32 0.37 0.21 11.165 3 52 0.51 19 0.66 0.52 0.52 1.000 522 .523 65 0.02 0.04 -0.04 0.42 0.32 0.23 12.588 3 54 0.57 21 0.66 0.52 0.52 1.000 523 .524 79 -0.01 0.03 -0.02 0.43 0.43 0.19 9.0294 2 65 0.49 19 0.66 0.52 0.52 1.000 524 .525 65 -0.11 -0.03 0.01 0.43 0.41 0.25 7.494 2 63 0.47 18 0.66 0.52 0.52 1.000 525 .526 64 -0.15 0.01 -0.01 0.46 0.43 0.21 6.9573 2 58 0.51 19 0.66 0.52 0.52 1.000 526 .527 67 -0.02 0.01 -0.06 0.43 0.46 0.21 8.8108 3 54 0.46 17 0.66 0.52 0.52 1.000 527 .528 63 -0.02 -0.03 -0.03 0.48 0.30 0.17 7.8971 2 44 0.53 19 0.66 0.52 0.52 1.000 528 .529 65 -0.16 0.03 -0.00 0.50 0.39 0.19 10.365 2 62 0.48 19 0.66 0.52 0.52 1.000 529 .530 52 -0.12 -0.02 -0.04 0.53 0.36 0.21 8.8774 2 63 0.44 16 0.66 0.52 0.52 1.000 530 .531 76 -0.12 -0.04 0.03 0.53 0.47 0.19 24.986 3 66 0.43 17 0.66 0.52 0.52 1.000 531 .532 65 -0.06 0.10 -0.01 0.38 0.42 0.22 13.317 3 48 0.57 19 0.66 0.52 0.52 1.000 532 .533 71 -0.10 -0.06 -0.03 0.51 0.31 0.18 11.455 3 61 0.48 19 0.66 0.52 0.52 1.000 533 .534 70 -0.11 0.07 0.00 0.43 0.42 0.19 17.189 3 61 0.53 19 0.66 0.52 0.52 1.000 534 .535 81 -0.21 0.01 -0.02 0.45 0.39 0.22 12.541 3 52 0.54 19 0.66 0.52 0.52 1.000 535 .536 64 -0.04 -0.02 0.02 0.45 0.44 0.21 6.6304 2 64 0.47 19 0.66 0.52 0.52 1.000 536 .537 55 0.03 0.06 -0.05 0.48 0.39 0.19 7.2148 2 56 0.49 18 0.66 0.52 0.52 1.000 537 .538 69 -0.01 -0.00 -0.07 0.48 0.33 0.19 8.2076 3 43 0.52 18 0.66 0.52 0.52 1.000 538 .539 62 0.05 -0.09 0.00 0.37 0.40 0.20 8.0055 2 61 0.51 18 0.66 0.52 0.52 1.000 539 .540 61 -0.14 0.01 -0.03 0.55 0.40 0.17 6.8136 2 66 0.44 18 0.66 0.52 0.52 1.000 Background pixels updated = 80.38% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 540 .541 73 -0.06 0.04 -0.06 0.53 0.37 0.23 10.943 3 55 0.50 18 0.66 0.52 0.52 1.000 541 .542 66 0.02 -0.01 -0.01 0.48 0.41 0.22 6.9736 2 53 0.50 19 0.66 0.52 0.52 1.000 542 .543 68 -0.12 -0.02 -0.03 0.42 0.40 0.21 12.413 3 46 0.54 18 0.66 0.52 0.52 1.000 543 .544 76 -0.03 0.07 -0.02 0.45 0.46 0.23 6.025 2 67 0.43 18 0.66 0.52 0.52 1.000 544 .545 66 -0.08 0.01 0.01 0.51 0.42 0.22 28.773 4 58 0.52 20 0.66 0.52 0.52 1.000 545 .546 59 -0.14 0.02 0.01 0.58 0.31 0.21 5.2405 2 64 0.47 18 0.66 0.52 0.51 1.000 546 .547 72 -0.08 0.05 0.00 0.45 0.32 0.19 11.604 3 50 0.47 19 0.66 0.52 0.51 1.000 547 .548 64 0.05 0.00 -0.05 0.41 0.41 0.22 9.2814 3 55 0.47 19 0.66 0.52 0.51 1.000 548 .549 64 -0.16 0.09 0.05 0.57 0.39 0.21 7.0852 2 53 0.43 18 0.66 0.52 0.51 1.000 549 .550 60 -0.09 -0.03 -0.03 0.56 0.43 0.21 8.1371 2 60 0.52 19 0.66 0.52 0.51 1.000 Orientation least squares, component 1 (318 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 318 0 318 8.5415 1.3148 4.769 31.363 A B C Alpha Beta Gamma Vol 23.5365 25.9585 24.3752 90.000 105.427 90.000 14356.00 0.0082 0.0075 0.0093 0.000 0.013 0.000 14.35 Corrected for goodness of fit: 0.0107 0.0097 0.0121 0.000 0.017 0.000 18.65 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.138 152.238 67.447 Goniometer zeros (deg): 0.0000 0.1676 0.0000 0.2331 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.030 1.020 0.042 0.167 0.536 -0.234 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.95848e+003 1.58504e+003 1.30 3 0 Background pixels updated = 80.46% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 550 .551 69 -0.17 -0.02 -0.02 0.50 0.36 0.19 9.1533 3 55 0.57 18 0.66 0.52 0.51 1.000 551 .552 62 -0.05 -0.01 0.03 0.49 0.34 0.23 17.771 3 50 0.46 20 0.66 0.52 0.51 1.000 552 .553 75 0.04 0.01 0.02 0.44 0.46 0.22 6.3857 2 57 0.46 19 0.66 0.52 0.51 1.000 553 .554 73 0.06 0.02 0.00 0.45 0.30 0.19 10.053 3 48 0.53 20 0.66 0.52 0.51 1.000 554 .555 71 -0.07 0.01 -0.00 0.53 0.37 0.16 12.064 3 58 0.51 17 0.66 0.52 0.51 1.000 555 .556 81 -0.11 0.12 -0.02 0.57 0.42 0.23 5.5111 2 58 0.50 18 0.66 0.52 0.51 1.000 556 .557 69 -0.13 0.08 -0.01 0.58 0.47 0.22 6.2905 2 54 0.49 19 0.66 0.52 0.51 1.000 557 .558 55 -0.02 0.01 -0.04 0.33 0.39 0.17 8.7554 3 51 0.53 18 0.66 0.52 0.51 1.000 558 .559 67 0.00 0.03 -0.03 0.38 0.41 0.19 10.126 3 63 0.51 19 0.66 0.52 0.51 1.000 559 .560 56 -0.08 0.00 -0.01 0.47 0.36 0.18 7.6933 2 46 0.53 19 0.66 0.52 0.51 1.000 Background pixels updated = 80.14% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 560 .561 72 -0.00 0.00 -0.04 0.46 0.38 0.19 9.7127 3 50 0.52 18 0.66 0.52 0.51 1.000 561 .562 66 -0.00 0.00 -0.02 0.42 0.35 0.22 17.267 4 55 0.54 20 0.66 0.52 0.52 1.000 562 .563 66 0.02 -0.01 -0.02 0.52 0.44 0.19 7.7702 2 62 0.46 19 0.66 0.52 0.52 1.000 563 .564 62 0.00 0.01 -0.00 0.50 0.52 0.21 16.872 3 53 0.53 20 0.66 0.52 0.52 1.000 564 .565 77 -0.09 0.05 -0.01 0.51 0.47 0.22 6.1486 2 52 0.51 19 0.66 0.52 0.52 1.000 565 .566 76 -0.13 -0.02 0.02 0.45 0.40 0.21 11.988 3 57 0.50 19 0.66 0.52 0.52 1.000 566 .567 67 -0.05 0.05 0.02 0.41 0.34 0.19 15.469 3 58 0.55 18 0.66 0.52 0.52 1.000 567 .568 63 -0.17 0.04 -0.01 0.51 0.42 0.18 18.498 3 48 0.55 18 0.66 0.52 0.52 1.000 568 .569 78 -0.08 0.03 -0.07 0.43 0.37 0.21 10.004 2 62 0.49 19 0.66 0.52 0.52 1.000 569 .570 64 0.03 0.01 0.03 0.45 0.47 0.21 6.7037 2 61 0.47 19 0.66 0.52 0.52 1.000 570 .571 63 -0.11 0.03 0.04 0.60 0.38 0.22 4.9331 2 59 0.43 19 0.66 0.52 0.52 1.000 571 .572 59 -0.07 -0.17 0.01 0.58 0.41 0.20 6.5228 2 58 0.46 18 0.66 0.52 0.52 1.000 572 .573 74 -0.11 0.06 0.02 0.59 0.39 0.19 15.366 3 54 0.51 18 0.66 0.52 0.52 1.000 573 .574 61 -0.10 0.09 0.02 0.55 0.44 0.18 6.0873 2 57 0.48 19 0.66 0.52 0.52 1.000 574 .575 63 -0.04 -0.07 -0.04 0.48 0.41 0.20 7.1936 2 52 0.47 18 0.66 0.52 0.52 1.000 575 .576 71 -0.06 0.03 -0.05 0.45 0.30 0.21 8.3617 2 59 0.48 18 0.66 0.52 0.52 1.000 576 .577 63 -0.07 -0.11 -0.05 0.52 0.44 0.21 12.33 3 54 0.53 19 0.66 0.52 0.52 1.000 577 .578 70 -0.12 -0.01 -0.05 0.60 0.43 0.22 14.356 3 56 0.53 19 0.66 0.52 0.52 1.000 578 .579 73 0.01 -0.10 -0.03 0.53 0.49 0.19 11.028 2 51 0.56 18 0.66 0.52 0.52 1.000 579 .580 66 -0.05 0.02 -0.02 0.43 0.34 0.18 8.5399 2 52 0.52 18 0.66 0.52 0.52 1.000 Background pixels updated = 80.92% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 580 .581 59 0.01 -0.01 -0.05 0.45 0.32 0.22 12.877 3 59 0.50 20 0.66 0.52 0.52 1.000 581 .582 67 -0.06 0.02 -0.02 0.52 0.37 0.17 12.016 3 51 0.58 18 0.66 0.52 0.52 1.000 582 .583 75 -0.03 -0.02 0.03 0.48 0.45 0.20 12.389 3 51 0.53 19 0.66 0.52 0.52 1.000 583 .584 77 -0.07 -0.05 -0.02 0.47 0.33 0.22 8.5059 2 53 0.52 19 0.66 0.52 0.52 1.000 584 .585 70 -0.20 0.04 -0.05 0.58 0.37 0.22 10.534 2 56 0.52 19 0.66 0.52 0.52 1.000 585 .586 66 -0.05 -0.01 -0.00 0.40 0.43 0.19 11.004 3 58 0.55 20 0.66 0.52 0.52 1.000 586 .587 67 -0.00 -0.05 -0.02 0.51 0.38 0.16 8.8529 2 63 0.50 19 0.66 0.52 0.52 1.000 587 .588 63 -0.08 -0.03 -0.00 0.51 0.41 0.23 5.2001 2 67 0.44 18 0.66 0.52 0.52 1.000 588 .589 72 0.05 0.03 -0.01 0.46 0.38 0.19 17.882 3 69 0.49 18 0.66 0.52 0.52 1.000 589 .590 65 -0.00 0.02 -0.03 0.45 0.39 0.21 7.4308 2 52 0.50 19 0.66 0.52 0.52 1.000 590 .591 69 -0.04 0.07 -0.04 0.41 0.33 0.20 8.1308 3 49 0.51 19 0.66 0.52 0.52 1.000 591 .592 52 -0.06 -0.13 -0.02 0.45 0.41 0.19 6.8829 2 63 0.51 18 0.66 0.52 0.52 1.000 592 .593 66 -0.06 -0.03 0.00 0.48 0.41 0.21 8.896 2 55 0.56 18 0.66 0.52 0.52 1.000 593 .594 69 -0.06 -0.06 0.01 0.66 0.62 0.20 6.3266 2 57 0.47 18 0.66 0.52 0.52 1.000 594 .595 69 -0.04 0.03 -0.04 0.47 0.37 0.21 9.1825 2 61 0.47 18 0.66 0.52 0.52 1.000 595 .596 74 -0.04 0.01 -0.02 0.60 0.40 0.23 6.3546 2 61 0.47 20 0.66 0.52 0.52 1.000 596 .597 64 -0.04 0.05 0.01 0.50 0.45 0.18 8.4111 2 63 0.54 18 0.66 0.52 0.52 1.000 597 .598 62 -0.07 0.06 0.04 0.53 0.35 0.22 8.6148 2 58 0.50 18 0.66 0.52 0.52 1.000 598 .599 7 -0.07 -0.05 -0.11 0.35 0.37 0.13 8.6693 2 29 0.76 12 0.66 0.52 0.52 1.000 599 .600 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.66 0.52 0.52 1.000 Requested number of frames processed: C:\frames\klat083\klat0832.600 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999683; Maximum = 0.022245 !Averaged profile: Section 1->3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 3 4 3 1 1 0 0 0 1 1 1 1 0 0 0 0 1 2 4 5 4 1 0 0 1 2 6 11 14 11 5 1 0 0 0 1 2 2 1 1 0 0 0 2 5 11 13 9 4 1 0 1 4 12 27 35 26 11 3 0 0 1 1 3 4 2 1 0 0 0 2 7 15 18 13 5 1 0 1 5 16 38 49 35 14 4 1 0 0 1 2 2 2 1 0 0 0 1 6 12 15 10 4 1 0 1 4 13 30 38 27 11 3 1 0 0 1 1 1 1 0 0 0 0 1 2 5 6 4 1 0 0 0 2 6 13 17 12 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 2 4 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 1 1 1 1 1 0 0 !Averaged profile: Section 4->6 0 0 1 1 1 1 1 0 0 0 1 1 1 2 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 3 5 7 5 3 1 0 1 1 3 6 8 7 4 1 0 1 1 3 5 7 6 3 1 0 1 3 9 19 25 20 9 3 1 1 4 10 22 30 25 12 4 1 1 3 8 18 25 21 10 3 1 1 6 20 46 62 48 21 6 1 1 7 22 52 73 59 26 7 1 1 5 17 40 59 49 23 6 1 1 7 27 63 86 65 28 7 1 2 8 29 71100 79 34 9 2 1 6 22 54 79 65 29 8 1 1 6 21 49 66 50 21 6 1 1 6 23 55 76 59 26 7 1 1 5 17 41 59 48 22 6 1 1 3 10 22 29 21 10 3 1 1 3 11 24 33 25 12 4 1 0 3 8 18 25 20 10 4 1 0 1 3 6 8 6 3 1 1 0 1 4 7 9 7 4 1 1 0 1 3 5 7 6 3 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 0 !Averaged profile: 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 1 3 4 3 2 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 9 13 12 6 2 0 0 0 1 3 5 4 2 1 0 0 0 0 0 1 1 0 0 0 0 3 8 20 31 27 13 4 1 0 1 3 7 10 10 5 1 0 0 0 0 1 1 1 1 0 0 0 3 10 27 40 35 17 5 1 0 1 3 8 13 12 6 1 0 0 0 0 1 2 2 1 0 0 0 2 8 20 30 26 12 4 1 0 1 3 6 10 9 5 1 0 0 0 0 1 1 1 1 0 0 0 1 4 9 13 11 6 2 1 0 0 1 3 4 4 2 1 0 0 0 0 0 1 1 0 0 0 0 1 1 3 4 3 2 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics Total spots predicted: 46834 # Outside active pixel mask or within 5 pixels of frame edge: 5696 # Outside frame limits: 280 # Outside resolution limit: 0 # with absolute HKL > 511: 0 # Below worst I/sigma threshold: 1389 # Exceeding dynamic range: 0 # with large Lorentz factor: 0 # Collisions: 0 # Spots with rescanned pixels: 0 Total rescanned pixels: 0 Minimum pixel ceiling(frame): 1677696(klat0832.001) Maximum pixel ceiling(frame): 1677696(klat0832.001) # Exceeding frame queue size: 20 # with too many components: 0 # Left in Write-Behind Cache: 0 # Good spots written: 39449 # HKLs (components) written: 39449 Twin overlaps written: 0 Twin partial overlaps written: 0 Number excl. partial overlaps (these are the spots used in the stats below): 39449 # 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 Average Intensity: 9.62 Average I/sigma: 3.283 % over "strong" threshold: 3.98 % less than 2 sigma: 58.55 % which spanned more than 1 frame: 77.37 Average X,Y,Z positional errors: -0.07 0.01 0.01 RMS X,Y,Z positional errors: 0.52 0.42 0.20 % X,Y,Z more than 0.5 pixel: 26.49 19.24 0.97 % X,Y,Z more than 1 pixel: 4.52 1.83 0.00 Avg % profile volume populated: 100.00 Avg % profile volume integrated: 43.58 X fraction of prof. volume used: 100.00 Y fraction of prof. volume used: 100.00 Z fraction of prof. volume used: 100.00 Max profile % on X boundaries: 10.88 Max profile % on Y boundaries: 11.09 Max profile % on Z boundaries: 7.02 Number of filled spots: 0 Average fraction filled: 0.0000 Average spot shape correlation: 0.317 RMS spot shape correlation: 0.500 Profile Shape Correlation I/sigma from to Correl +/- # 0.00 1.00 0.23 0.225 13747 1.00 2.00 0.36 0.238 9351 2.00 4.00 0.56 0.266 10473 4.00 8.00 0.83 0.206 3605 8.00 16.00 0.96 0.082 1610 16.00 32.00 0.99 0.007 526 32.00 64.00 1.00 0.002 121 64.00 128.00 0.99 0.002 16 128.00 256.00 0.00 0.000 0 Total integration time (sec): 121.125 Total time in cell LS (sec): 4.672 Per-frame integration time (sec): 0.193 Integration completed normally ======================== 04/06/05 10:40:33 Applying profile correlation filter from C:\frames\klat083\work\unsorted.raw to C:\frames\klat083\work\corrfilt.raw Scale of 1.317 will be applied to LS-fit intensities Number of reflections read = 39449 # Rejected due to poor spot shape; # written: 13 39436 Number of LS-fit intensities scaled: 37231 Sorting Reflection File ============================== 04/06/05 10:40:34 klat083 Sorting input files: C:\frames\klat083\work\corrfilt.raw Sorting to output file C:\frames\klat083\work\klat0832.raw Point group sequence #, name: 3, "2/m(B-unique)" Number of symmetry operators: 4 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 39436 reflections read from C:\frames\klat083\work\corrfilt.raw 39436 reflections written to C:\frames\klat083\work\klat0832.raw Computing Reflection File Statistics ========== 04/06/05 10:40:46 klat083 Point group sequence #, name: 3, "2/m(B-unique)" Number of symmetry operators: 4 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 Orientation read from C:\frames\klat083\klat0832.p4p: Cell constants computed from input file: 23.535 25.876 24.307 90.000 105.453 90.000 ............................. Statistics for reflections in C:\frames\klat083\work\klat0832.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of spots read from file = 39436 Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 128 30 120 113 6.2 81.807 41.15 1.81 0.046 0.027 1.4 0.000 0.042 0.00-.03-.01 .04 .28 .23 .21 32.000 495 134 458 455 12.1 71.893 26.76 2.15 0.045 -0.002 1.4 0.000 0.077 0.00-.02-.01 .02 .26 .34 .20 64.000 835 284 761 781 14.9 59.623 17.78 2.39 0.046 -0.004 0.8 0.000 0.085 0.00-.01 .01 .01 .25 .28 .19 96.000 1222 448 1098 1138 19.9 35.116 9.95 2.30 0.062 0.001 0.7 0.000 0.119 0.00-.01 .01 .01 .29 .30 .18 128.000 1613 630 1451 1476 26.6 26.004 6.83 2.17 0.078 0.014 0.6 0.000 0.144 0.00-.03 .02 .01 .31 .33 .18 160.000 2042 841 1833 1786 33.1 20.798 5.01 2.11 0.103 0.017 0.6 0.000 0.184 0.00-.02 .01 .01 .35 .33 .18 192.000 2467 1039 2220 2078 44.1 14.692 3.41 2.07 0.145 0.020 0.5 0.000 0.274 0.00-.02 .04 .00 .38 .38 .19 224.000 2898 1168 2608 2289 53.9 11.607 2.56 2.04 0.178 0.004 0.5 0.000 0.355 0.00-.03 .03 .01 .42 .39 .19 256.000 3229 1215 2898 2355 63.9 8.279 1.88 1.97 0.250 -0.036 0.5 0.000 0.505 0.00-.07 .00 .00 .44 .40 .19 288.000 3573 1242 3210 2366 64.4 7.792 1.83 1.84 0.257 -0.023 0.6 0.000 0.508 0.00-.04 .01 .01 .43 .39 .20 320.000 3788 1173 3403 2236 65.5 6.657 1.74 1.67 0.306 -0.012 0.6 0.000 0.604 0.00-.01-.00 .00 .45 .40 .21 352.000 3992 1061 3583 2048 65.1 5.721 1.65 1.50 0.390 -0.005 0.7 0.000 0.748 0.00-.03 .01-.00 .47 .41 .21 384.000 4062 929 3657 1814 64.9 5.002 1.53 1.29 0.498 -0.007 0.8 0.000 0.972 0.00-.03 .02 .00 .48 .42 .22 416.000 4053 805 3669 1583 69.3 4.172 1.27 1.08 0.559 -0.021 0.8 0.000 1.103 0.00-.04 .01 .00 .51 .44 .22 448.000 3802 657 3436 1266 75.4 2.828 0.82 0.82 0.585 0.029 0.8 0.000 1.152 0.00-.17 .01 .01 .66 .50 .22 480.000 1237 161 1163 322 93.2 -2.105 -0.59 0.56 0.556 -0.029 0.7 0.000 1.096 0.00-.96 .02 .03 1.4 .76 .22 512.000 Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1037 0 1037 813 44.4 6.199 2.35 0.99 0.309 0.008 1.1 0.000 0.000 0.00-.11 .27 .01 .62 .75 .21 32.000 2118 56 2110 1488 46.6 7.386 2.38 1.22 0.256 0.051 0.9 0.000 0.854 0.00-.09 .05 .01 .57 .48 .23 64.000 2301 162 2293 1573 51.2 8.351 2.48 1.39 0.219 0.049 0.7 0.000 0.706 0.00-.07 .01 .01 .53 .41 .25 96.000 2521 311 2501 1693 57.0 8.690 2.40 1.51 0.201 0.010 0.6 0.000 0.654 0.00-.07 .01 .01 .49 .39 .23 128.000 2709 463 2688 1780 61.6 9.926 2.57 1.63 0.173 -0.014 0.6 0.000 0.573 0.00-.08 .02 .01 .51 .39 .21 160.000 2863 619 2840 1833 65.6 11.247 2.82 1.73 0.142 -0.026 0.5 0.000 0.541 0.00-.05 .02 .00 .51 .39 .18 192.000 2986 781 2960 1885 63.1 13.882 3.39 1.79 0.124 -0.016 0.6 0.000 0.360 0.00-.06 .02 .01 .49 .37 .17 224.000 3040 921 3014 1874 65.0 15.392 3.75 1.83 0.117 -0.032 0.6 0.000 0.273 0.00-.08 .02 .01 .52 .39 .16 256.000 3039 1058 3014 1863 68.7 13.419 3.14 1.93 0.126 -0.029 0.5 0.000 0.250 0.00-.06-.00 .00 .49 .39 .16 288.000 2991 1134 2967 1743 66.5 13.483 3.16 1.90 0.124 -0.014 0.5 0.000 0.207 0.00-.07 .01 .00 .50 .37 .17 320.000 2901 1194 2880 1630 64.4 14.103 3.39 1.82 0.116 -0.005 0.5 0.000 0.208 0.00-.06 .01 .01 .49 .36 .18 352.000 2755 1241 2731 1546 59.5 11.613 2.91 1.70 0.140 0.005 0.6 0.000 0.275 0.00-.06 .01 .00 .48 .36 .20 384.000 2577 1218 2560 1428 55.3 10.396 2.84 1.55 0.165 0.032 0.7 0.000 0.333 0.00-.06 .01 .01 .49 .37 .23 416.000 2372 1146 2361 1279 48.8 9.970 2.88 1.42 0.185 0.052 0.7 0.000 0.423 0.00-.08-.00 .01 .50 .40 .24 448.000 2146 1020 2134 1124 47.4 8.433 2.66 1.27 0.237 0.053 0.9 0.000 0.529 0.00-.10-.02 .00 .56 .44 .24 480.000 1080 493 1074 554 41.8 7.383 2.69 1.03 0.282 0.018 1.2 0.000 0.582 0.00-.15-.23 .01 .71 .76 .22 512.000 Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 651 324 636 570 72.4 10.053 1.93 2.31 0.220 -0.118 0.5 0.000 0.438 0.00-.02 .02 .00 .47 .42 .15 30.000 1867 849 1792 1518 70.1 10.447 2.05 2.26 0.181 -0.073 0.4 0.000 0.375 0.00-.04 .01 .00 .45 .40 .16 60.000 3051 1256 2908 2278 68.3 11.861 2.41 2.18 0.153 -0.035 0.4 0.000 0.312 0.00-.03 .01 .00 .44 .39 .16 90.000 4091 1534 3885 2807 64.6 12.076 2.67 2.07 0.144 -0.021 0.5 0.000 0.294 0.00-.04 .02 .00 .44 .39 .18 120.000 4981 1640 4720 3162 58.7 12.031 2.95 1.94 0.143 -0.003 0.5 0.000 0.265 0.00-.04 .01 .01 .43 .37 .20 150.000 5766 1704 5460 3535 55.6 14.472 3.93 1.76 0.127 0.007 0.6 0.000 0.268 0.00-.02 .01 .00 .44 .37 .20 180.000 6277 1700 5950 3680 51.5 12.529 3.75 1.52 0.145 0.019 0.7 0.000 0.283 0.00-.02 .00 .00 .44 .37 .21 210.000 6715 1591 6387 3627 52.4 10.433 3.35 1.22 0.173 0.030 0.8 0.000 0.385 0.00-.08 .02 .01 .49 .38 .22 240.000 4156 893 4002 2147 56.0 7.680 2.48 0.97 0.207 0.030 1.0 0.000 0.459 0.00-.18 .01 .00 .62 .41 .24 270.000 1881 326 1837 782 73.8 2.884 0.87 0.68 0.267 -0.077 1.4 0.000 0.867 0.00-.44 .00 .03 1.1 .88 .27 300.000 Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 5843 3667 5059 4687 32.9 26.236 6.47 2.13 0.082 0.009 0.6 0.000 0.170 0.00-.02 .01 .01 .36 .34 .19 2.000 14018 4837 12582 6480 69.3 5.509 1.47 1.44 0.353 0.001 0.7 0.000 0.699 0.00-.09-.02 .00 .57 .44 .21 3.000 5859 907 4952 5431 38.7 23.855 5.98 2.13 0.093 0.007 0.6 0.000 0.177 0.00-.02 .03 .01 .36 .36 .18 4.000 13716 2406 11875 7508 67.1 5.159 1.43 1.34 0.362 -0.033 0.7 0.000 0.716 0.00-.10 .03 .01 .58 .45 .21 5.000 Region# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 5970 2593 5370 4651 69.2 11.203 2.24 2.22 0.168 -0.054 0.4 0.000 0.344 0.00-.03 .01 .00 .45 .40 .16 2.000 5932 1147 5646 2299 73.4 3.751 1.12 1.18 0.503 -0.025 0.8 0.000 0.969 0.00-.14 .01 .01 .62 .38 .18 3.000 7270 2480 6816 3124 69.1 4.902 1.36 1.29 0.411 0.017 0.7 0.000 0.846 0.00-.10-.04 .00 .62 .48 .23 4.000 3748 2085 3677 2163 44.2 10.507 2.81 1.71 0.204 0.047 0.7 0.000 0.411 0.00-.05 .03 .00 .38 .38 .22 5.000 2327 1555 2087 2021 21.9 28.861 8.09 2.01 0.074 0.010 0.7 0.000 0.146 0.00-.01-.01 .01 .32 .31 .20 6.000 1286 540 964 1119 27.0 71.628 16.06 3.01 0.040 -0.001 0.5 0.000 0.086 0.00-.04 .02 .00 .30 .29 .14 7.000 2320 94 2226 2232 27.2 22.923 6.76 1.98 0.089 0.011 0.8 0.000 0.152 0.00-.01 .02 .02 .32 .33 .19 8.000 3666 304 3367 3067 49.4 9.013 2.45 1.71 0.239 0.041 0.6 0.000 0.461 0.00-.04 .01 .01 .40 .39 .22 9.000 6917 1019 6418 3430 66.9 4.540 1.32 1.18 0.418 -0.025 0.7 0.000 0.726 0.00-.10 .06 .01 .62 .50 .23 10.000 Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.410 1959 179 1780 762 56.1 11.356 2.99 1.53 0.132 -0.011 0.7 0.000 0.435 0.00-.06-.01 .01 .50 .43 .21 31.218 1995 323 1821 1024 53.2 11.585 3.02 1.52 0.165 -0.010 0.7 0.000 0.424 0.00-.08-.00-.01 .55 .44 .20 61.025 1958 395 1811 1341 56.0 11.956 3.21 1.48 0.151 -0.020 0.7 0.000 0.302 0.00-.10 .01 .01 .58 .45 .20 90.833 2009 497 1880 1766 59.0 11.571 3.28 1.48 0.174 -0.024 0.7 0.000 0.343 0.00-.13 .03 .01 .65 .49 .20 120.640 1957 596 1850 1856 57.4 10.728 3.03 1.48 0.195 -0.006 0.7 0.000 0.357 0.00-.10 .03 .02 .60 .49 .20 150.448 1970 717 1863 1864 58.0 11.236 3.16 1.50 0.182 0.015 0.7 0.000 0.386 0.00-.10 .01 .01 .65 .52 .21 180.255 1973 866 1878 1869 59.9 9.879 2.81 1.55 0.196 0.037 0.7 0.000 0.372 0.00-.06 .02 .01 .51 .41 .21 210.062 1939 976 1850 1835 59.6 10.709 3.08 1.55 0.191 0.025 0.7 0.000 0.405 0.00-.07 .01 .02 .49 .40 .20 239.870 1959 1085 1873 1815 61.1 10.756 3.07 1.57 0.187 0.029 0.7 0.000 0.382 0.00-.06 .02 .02 .49 .40 .20 269.678 1945 1080 1865 1677 62.2 9.892 2.80 1.59 0.190 0.022 0.6 0.000 0.401 0.00-.05 .00 .01 .49 .40 .20 299.485 1966 970 1888 1463 62.8 10.479 2.90 1.62 0.176 -0.003 0.6 0.000 0.364 0.00-.06 .01 .02 .51 .38 .21 329.293 1978 815 1911 1214 62.2 10.355 2.77 1.65 0.151 0.001 0.6 0.000 0.311 0.00-.06 .02 .01 .48 .38 .20 359.100 1933 667 1876 993 60.0 10.991 2.81 1.69 0.134 -0.003 0.5 0.000 0.252 0.00-.07 .01 .00 .46 .39 .20 388.908 1977 562 1921 855 60.6 10.904 2.67 1.75 0.127 -0.005 0.6 0.000 0.271 0.00-.06 .01 .01 .46 .39 .21 418.715 1962 470 1904 736 57.8 10.946 2.66 1.75 0.128 -0.007 0.6 0.000 0.241 0.00-.07 .03 .01 .46 .39 .21 448.523 1975 398 1911 648 57.9 11.418 2.76 1.74 0.111 -0.005 0.6 0.000 0.235 0.00-.08 .02-.00 .47 .39 .20 478.330 2015 345 1926 606 58.0 13.288 3.14 1.75 0.098 -0.007 0.6 0.000 0.200 0.00-.07 .02-.01 .47 .38 .21 508.138 1948 296 1835 551 57.5 11.992 3.03 1.70 0.114 -0.010 0.7 0.000 0.234 0.00-.08 .01-.02 .47 .39 .21 537.945 2011 320 1810 602 55.4 12.516 3.22 1.69 0.110 -0.004 0.6 0.000 0.228 0.00-.06 .02-.01 .49 .40 .21 567.753 2007 260 1772 629 57.1 11.022 2.86 1.66 0.122 -0.001 0.6 0.000 0.315 0.00-.05-.01-.01 .51 .41 .20 597.560 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 70.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 752 42 710 255 56.5 10.559 2.79 1.55 0.127 -0.005 0.7 0.000 0.513 0.00-.06-.02 .00 .45 .39 .21 150.000 2212 286 1996 980 54.7 12.280 3.20 1.52 0.140 -0.011 0.7 0.000 0.394 0.00-.06-.00 .00 .54 .44 .21 160.000 2207 409 2008 1348 54.1 11.099 2.96 1.51 0.165 -0.018 0.7 0.000 0.392 0.00-.09 .01 .01 .55 .45 .20 170.000 2221 515 2053 1813 57.6 11.531 3.20 1.47 0.169 -0.023 0.7 0.000 0.304 0.00-.12 .02 .01 .62 .46 .20 180.000 2229 658 2080 2110 59.0 10.991 3.12 1.48 0.188 -0.015 0.7 0.000 0.352 0.00-.12 .03 .02 .65 .48 .20 190.000 2173 779 2045 2057 57.6 11.431 3.22 1.50 0.181 0.017 0.7 0.000 0.391 0.00-.09 .01 .01 .61 .50 .21 200.000 2188 958 2066 2070 60.0 10.407 2.95 1.55 0.191 0.032 0.7 0.000 0.376 0.00-.07 .02 .01 .55 .45 .20 210.000 2213 1143 2093 2097 59.8 9.877 2.86 1.55 0.199 0.033 0.7 0.000 0.410 0.00-.07 .01 .02 .48 .40 .20 220.000 2167 1206 2062 1973 61.4 10.778 3.07 1.57 0.185 0.026 0.7 0.000 0.381 0.00-.06 .02 .02 .49 .40 .20 230.000 2174 1162 2073 1784 62.8 10.022 2.82 1.60 0.184 0.010 0.6 0.000 0.390 0.00-.04 .01 .01 .49 .40 .20 240.000 2207 1010 2106 1507 62.6 10.924 2.95 1.64 0.161 0.000 0.6 0.000 0.331 0.00-.06 .02 .03 .50 .38 .21 250.000 2198 810 2117 1200 60.1 10.870 2.82 1.67 0.139 0.000 0.6 0.000 0.269 0.00-.07 .01 .00 .46 .39 .20 260.000 2176 643 2104 981 61.8 10.449 2.59 1.74 0.132 -0.006 0.6 0.000 0.275 0.00-.06 .00 .01 .47 .39 .21 270.000 2229 551 2158 855 57.2 11.150 2.71 1.75 0.126 -0.008 0.6 0.000 0.242 0.00-.07 .03 .01 .46 .39 .21 280.000 2199 442 2122 719 58.1 11.247 2.73 1.74 0.113 -0.005 0.6 0.000 0.237 0.00-.07 .02-.00 .47 .39 .20 290.000 2201 365 2097 647 58.4 12.788 3.05 1.74 0.100 -0.007 0.6 0.000 0.205 0.00-.07 .01-.01 .47 .39 .21 300.000 2240 352 2072 644 56.9 12.568 3.18 1.71 0.112 -0.009 0.7 0.000 0.231 0.00-.07 .01-.02 .47 .39 .21 310.000 2237 359 1982 682 55.0 11.998 3.10 1.67 0.112 -0.002 0.6 0.000 0.244 0.00-.06 .01-.01 .50 .41 .20 320.000 1213 127 1086 384 58.0 10.936 2.84 1.66 0.123 0.000 0.6 0.000 0.355 0.00-.05-.00-.01 .50 .40 .20 330.000 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 Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 5.080 1896 167 1729 729 56.0 11.494 3.03 1.52 0.129 -0.010 0.7 0.000 0.432 0.00-.06-.01 .01 .51 .43 .21 5.329 1996 324 1818 1024 53.0 11.551 3.01 1.52 0.165 -0.011 0.7 0.000 0.419 0.00-.07-.00-.00 .55 .44 .21 5.579 1996 403 1844 1352 56.5 11.877 3.19 1.48 0.152 -0.019 0.7 0.000 0.308 0.00-.10 .01 .01 .58 .45 .20 5.828 2013 494 1880 1769 58.8 11.439 3.24 1.48 0.177 -0.024 0.7 0.000 0.354 0.00-.13 .03 .01 .66 .49 .20 6.078 1938 588 1832 1838 57.5 10.832 3.07 1.49 0.191 -0.008 0.7 0.000 0.348 0.00-.10 .02 .02 .61 .49 .20 6.327 1972 717 1868 1867 57.7 11.332 3.18 1.50 0.182 0.016 0.7 0.000 0.381 0.00-.09 .01 .01 .61 .49 .21 6.577 1979 863 1883 1874 60.0 9.873 2.81 1.55 0.196 0.036 0.7 0.000 0.372 0.00-.07 .02 .01 .55 .46 .21 6.826 1953 982 1866 1848 59.7 10.594 3.04 1.55 0.193 0.025 0.7 0.000 0.412 0.00-.07 .01 .02 .49 .40 .20 7.076 1975 1095 1887 1830 61.1 10.799 3.08 1.57 0.186 0.029 0.7 0.000 0.380 0.00-.06 .02 .02 .49 .40 .20 7.326 1949 1084 1868 1681 62.2 9.871 2.79 1.59 0.190 0.022 0.6 0.000 0.403 0.00-.05 .00 .01 .49 .40 .20 7.575 1966 969 1888 1463 62.7 10.494 2.90 1.62 0.175 -0.003 0.6 0.000 0.362 0.00-.06 .01 .02 .51 .38 .21 7.824 1929 799 1864 1187 62.2 10.367 2.78 1.65 0.152 0.001 0.6 0.000 0.314 0.00-.06 .02 .01 .48 .38 .20 8.074 1960 676 1896 1008 60.2 10.979 2.80 1.68 0.134 -0.002 0.5 0.000 0.250 0.00-.06 .01 .00 .46 .39 .20 8.323 1997 568 1939 865 60.5 10.898 2.67 1.75 0.127 -0.005 0.6 0.000 0.271 0.00-.06 .00 .01 .46 .39 .21 8.573 1966 473 1907 740 57.7 11.035 2.68 1.75 0.127 -0.008 0.6 0.000 0.240 0.00-.07 .03 .01 .46 .39 .21 8.823 2011 398 1948 651 58.0 11.333 2.75 1.74 0.111 -0.004 0.6 0.000 0.235 0.00-.07 .02-.00 .47 .39 .20 9.072 1924 338 1837 589 57.9 13.429 3.17 1.75 0.098 -0.007 0.6 0.000 0.201 0.00-.07 .02-.01 .47 .39 .21 9.321 1994 300 1878 560 57.7 11.931 3.02 1.70 0.114 -0.010 0.7 0.000 0.234 0.00-.08 .01-.02 .47 .39 .21 9.571 2029 328 1819 610 55.3 12.434 3.19 1.69 0.111 -0.004 0.6 0.000 0.230 0.00-.06 .02-.01 .49 .40 .21 9.820 1993 251 1763 621 57.0 11.082 2.87 1.66 0.121 0.000 0.6 0.000 0.318 0.00-.05-.01-.01 .51 .41 .20 10.070 Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 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 2.000 39436 11817 27383 24106 58.6 11.184 2.96 1.61 0.157 0.000 0.7 0.000 0.321 0.00-.07 .01 .01 .52 .42 .20 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 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.000 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 12.000 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 13.000 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 14.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 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 17.000 Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 12704 3235 11179 6470 94.6 0.581 0.18 1.37 0.863 -1.108 0.7 0.000 1.734 0.00-.12 .00 .00 .66 .50 .22 0.100 4059 1097 3924 2149 79.0 3.888 1.16 1.43 0.506 -0.011 0.6 0.000 1.020 0.00-.08 .02-.00 .55 .44 .22 0.200 3827 1032 3699 2076 68.5 5.222 1.53 1.47 0.405 0.035 0.6 0.000 0.797 0.00-.06 .01 .01 .50 .42 .21 0.300 3514 985 3404 1969 55.9 6.492 1.85 1.52 0.344 0.063 0.6 0.000 0.699 0.00-.05 .01 .00 .49 .40 .21 0.400 3207 947 3101 1924 45.2 7.751 2.14 1.60 0.307 0.075 0.7 0.000 0.612 0.00-.06 .02 .01 .46 .40 .21 0.500 1993 654 1922 1314 38.3 8.974 2.35 1.69 0.275 0.069 0.7 0.000 0.548 0.00-.05 .01 .01 .44 .39 .19 0.600 1976 682 1883 1368 31.2 10.501 2.58 1.80 0.224 0.046 0.6 0.000 0.430 0.00-.04 .03 .00 .40 .37 .20 0.700 1549 556 1441 1137 21.8 12.803 2.87 1.90 0.181 0.032 0.6 0.000 0.355 0.00-.05 .02 .02 .39 .35 .19 0.800 2084 778 1766 1653 5.6 17.198 3.52 1.98 0.133 0.018 0.6 0.000 0.253 0.00-.06 .01 .01 .35 .34 .18 0.900 4523 1851 2759 4046 0.1 56.582 10.46 2.27 0.054 0.003 0.6 0.000 0.108 0.00-.02 .03 .01 .22 .21 .14 1.000 Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 39436 11817 27383 24106 58.6 11.184 2.96 1.61 0.157 0.000 0.7 0.000 0.321 0.00-.07 .01 .01 .52 .42 .20 0.020 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 0.040 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.060 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.080 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.100 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.120 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 0.140 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 0.160 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.180 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.220 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 0.240 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.280 0 0 0 0 0.0 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 PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 53 2 53 2100.0 -9.262 -2.07 0.07 0.227 0.002 0.5 0.000 0.454 0.00-4.3-.16 .18 4.7 3.8 .38 91.305 66 3 66 17100.0 -7.957 -2.19 0.32 0.401 -0.035 0.8 0.000 0.776 0.00-2.0 .10-.01 2.2 .78 .18 182.609 942 130 900 327 94.8 -3.012 -0.87 0.54 0.603 -0.127 0.9 0.000 1.095 0.00-.84 .05 .03 1.2 .59 .19 365.219 10266 2172 9236 4583 75.5 3.559 1.05 1.16 0.509 -0.048 0.7 0.000 1.026 0.00-.10 .01 .01 .55 .44 .19 730.438 23857 8163 18324 15347 57.5 8.955 2.26 1.77 0.213 0.000 0.6 0.000 0.428 0.00-.03 .01 .00 .43 .38 .21 1460.875 3767 1204 3148 3377 16.6 29.242 8.21 2.06 0.075 0.016 0.7 0.000 0.126 0.00-.02 .01 .01 .28 .29 .18 2921.750 384 111 339 369 0.8 99.535 24.98 2.30 0.038 0.000 1.1 0.000 0.070 0.00-.06 .00 .03 .15 .13 .17 5843.500 80 26 69 66 0.0 350.792 48.45 2.74 0.030 0.005 1.4 0.000 0.055 0.00-.05 .01 .01 .09 .05 .18 11687.000 17 5 15 15 0.0 796.705 73.00 2.85 0.033 -0.003 2.4 0.000 0.076 0.00-.09-.00-.03 .11 .04 .15 23374.000 4 1 4 3 0.0 1186.651 96.57 2.73 0.042 0.029 3.7 0.000 0.024 0.00-.12 .02 .03 .13 .04 .16 46748.000 BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 291 25 282 84 97.9 -7.214 -1.86 0.30 0.515 -0.107 1.5 0.000 0.929 0.00-2.0 .03 .08 2.6 1.8 .28 0.428 4230 710 3668 1709 81.7 1.454 0.42 0.68 0.545 -0.046 0.9 0.000 1.185 0.00-.33 .04 .02 .71 .48 .23 0.856 7598 1688 6668 3617 58.0 5.748 1.90 1.08 0.376 0.018 0.9 0.000 0.816 0.00-.02-.00 .00 .48 .40 .22 1.283 10316 2980 8751 6264 52.1 8.030 2.50 1.51 0.241 0.026 0.8 0.000 0.508 0.00-.02 .01 .00 .44 .38 .21 1.711 9276 2850 7783 6248 59.4 11.025 2.61 1.91 0.165 0.005 0.5 0.000 0.324 0.00-.04 .01 .01 .42 .38 .19 2.139 5880 2582 4956 4575 59.5 16.287 3.27 2.32 0.117 -0.026 0.4 0.000 0.281 0.00-.03 .02 .00 .42 .38 .17 2.567 1115 600 975 985 34.1 40.811 8.91 2.74 0.051 0.000 0.4 0.000 0.116 0.00-.03 .02-.00 .33 .32 .16 2.995 503 228 434 434 27.6 74.229 16.32 3.19 0.038 -0.006 0.5 0.000 0.088 0.00-.06 .02-.00 .29 .29 .15 3.422 207 135 188 170 22.2 123.322 22.82 3.59 0.037 -0.007 0.6 0.000 0.083 0.00-.07 .03-.02 .27 .23 .13 3.850 20 19 20 20 15.0 203.826 29.95 3.95 0.040 -0.027 0.9 0.000 0.082 0.00-.10 .01-.02 .17 .09 .11 4.278 ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 481 67 470 128 96.0 -4.777 -1.28 0.58 0.434 -0.053 0.7 0.000 0.847 0.00-2.1 .03 .13 2.4 1.4 .27 -1.380 150 38 150 60 90.0 -0.523 -0.14 0.94 0.646 -0.294 0.7 0.000 1.235 0.00-1.3 .03 .12 1.3 .67 .23 -1.260 239 54 237 121 87.9 0.788 0.23 1.14 0.615 -0.599 0.7 0.000 1.391 0.00-1.2 .00 .10 1.2 .53 .22 -1.140 365 89 365 186 81.1 1.694 0.49 1.19 0.465 -0.194 0.7 0.000 0.997 0.00-1.1 .10 .11 1.1 .53 .22 -1.020 561 146 558 276 80.2 2.916 0.82 1.36 0.479 -0.071 0.7 0.000 0.918 0.00-.95 .02 .11 .96 .49 .23 -0.900 853 243 848 459 75.0 4.159 1.16 1.42 0.399 -0.049 0.7 0.000 0.767 0.00-.84 .01 .10 .84 .46 .23 -0.780 1300 357 1286 721 69.0 4.914 1.35 1.44 0.342 -0.035 0.6 0.000 0.696 0.00-.72 .03 .06 .72 .43 .22 -0.660 1714 473 1695 979 68.2 5.534 1.51 1.52 0.323 -0.017 0.6 0.000 0.622 0.00-.59 .04 .07 .60 .42 .22 -0.540 2245 655 2199 1299 65.3 6.574 1.75 1.56 0.275 -0.006 0.6 0.000 0.531 0.00-.48 .03 .05 .48 .42 .21 -0.420 3011 880 2946 1795 58.1 8.209 2.18 1.61 0.228 0.004 0.6 0.000 0.439 0.00-.36 .03 .03 .36 .39 .20 -0.300 3733 1094 3622 2302 53.5 12.292 3.20 1.66 0.147 0.006 0.6 0.000 0.322 0.00-.24 .02 .02 .24 .37 .20 -0.180 4397 1411 4196 2935 47.8 20.072 5.08 1.75 0.104 0.002 0.7 0.000 0.212 0.00-.12 .01 .01 .13 .36 .19 -0.060 5064 1627 4759 3376 47.8 21.486 5.39 1.74 0.088 0.006 0.7 0.000 0.176 0.00-.00 .01 .00 .04 .36 .19 0.060 4112 1312 3956 2685 50.0 14.262 3.67 1.69 0.128 0.006 0.6 0.000 0.270 0.00 .12-.01-.01 .13 .37 .20 0.180 3267 1018 3186 2074 55.3 9.788 2.61 1.65 0.193 0.004 0.7 0.000 0.377 0.00 .24 .01-.02 .24 .38 .20 0.300 2571 775 2503 1571 61.3 7.557 2.08 1.62 0.239 0.002 0.6 0.000 0.468 0.00 .36 .01-.04 .36 .39 .21 0.420 1795 517 1770 1076 61.2 6.628 1.82 1.61 0.282 0.011 0.7 0.000 0.555 0.00 .48-.00-.04 .48 .41 .21 0.540 1348 416 1334 807 68.6 5.506 1.53 1.60 0.322 -0.018 0.6 0.000 0.621 0.00 .59-.02-.06 .59 .41 .21 0.660 953 270 945 548 69.7 4.896 1.38 1.54 0.367 -0.047 0.6 0.000 0.772 0.00 .71-.02-.08 .71 .41 .22 0.780 528 164 524 308 71.0 4.512 1.28 1.56 0.398 -0.042 0.7 0.000 0.705 0.00 .84-.03-.08 .84 .43 .22 0.900 314 92 314 166 77.4 4.164 1.19 1.52 0.524 -0.056 0.8 0.000 1.065 0.00 .96-.01-.10 .96 .46 .21 1.020 221 64 221 124 79.2 3.628 1.08 1.49 0.639 -0.153 0.8 0.000 1.276 0.00 1.1-.04-.11 1.1 .48 .22 1.140 105 25 105 51 84.8 3.044 0.88 1.49 0.598 -0.183 0.7 0.000 1.536 0.00 1.2-.08-.13 1.2 .49 .22 1.260 51 15 51 30 88.2 2.079 0.61 1.54 0.736 -0.401 0.8 0.000 1.590 0.00 1.3-.04-.14 1.3 .41 .25 1.380 58 15 58 29 84.5 3.236 0.96 1.45 0.462 -0.007 0.6 0.000 0.783 0.00 1.5 .07-.13 1.5 .60 .22 1.500 ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 77 27 77 37 94.8 -4.482 -1.22 0.74 0.696 -0.324 1.5 0.000 1.265 0.00-1.7-2.3 .16 2.8 2.6 .33 -1.380 34 5 34 13 94.1 0.055 0.02 1.08 0.422 -4.524 0.6 0.000 1.699 0.00-.45-1.3 .09 1.0 1.3 .28 -1.260 81 16 81 37 82.7 1.658 0.50 1.40 0.437 0.003 0.6 0.000 0.811 0.00-.20-1.2 .03 .94 1.2 .26 -1.140 131 36 131 70 76.3 2.177 0.65 1.43 0.491 -0.252 0.8 0.000 0.961 0.00-.18-1.1 .02 .72 1.1 .26 -1.020 266 81 265 157 79.3 3.646 1.08 1.55 0.423 -0.063 0.6 0.000 0.915 0.00-.04-.95 .01 .52 .95 .23 -0.900 433 121 431 246 72.3 4.010 1.17 1.48 0.408 -0.051 0.7 0.000 0.829 0.00-.06-.84 .00 .62 .84 .22 -0.780 825 251 821 474 73.3 4.358 1.25 1.53 0.402 -0.016 0.7 0.000 0.866 0.00-.06-.72 .01 .56 .72 .22 -0.660 1277 370 1270 744 68.0 5.045 1.43 1.53 0.346 -0.009 0.7 0.000 0.747 0.00-.05-.59 .00 .54 .59 .22 -0.540 1885 561 1862 1102 67.1 5.490 1.52 1.55 0.313 -0.008 0.7 0.000 0.645 0.00-.04-.47-.00 .50 .48 .21 -0.420 2857 825 2778 1718 62.0 6.701 1.82 1.57 0.262 -0.008 0.6 0.000 0.546 0.00-.05-.36 .00 .48 .36 .21 -0.300 3646 1056 3549 2183 57.6 8.184 2.22 1.59 0.221 0.001 0.7 0.000 0.470 0.00-.05-.24 .00 .47 .24 .21 -0.180 4639 1422 4443 2931 53.8 12.390 3.23 1.65 0.141 0.005 0.6 0.000 0.297 0.00-.04-.12-.00 .45 .12 .20 -0.060 5797 1809 5406 3752 48.2 24.707 6.10 1.74 0.083 0.004 0.7 0.000 0.172 0.00-.06-.00 .01 .44 .04 .19 0.060 4844 1487 4651 3037 51.9 15.873 4.00 1.69 0.116 0.004 0.6 0.000 0.229 0.00-.06 .12 .00 .46 .12 .20 0.180 3976 1224 3843 2455 55.2 10.015 2.61 1.63 0.178 0.005 0.6 0.000 0.338 0.00-.07 .24 .00 .47 .24 .20 0.300 3265 995 3196 1954 61.0 7.284 1.97 1.60 0.251 0.005 0.6 0.000 0.486 0.00-.08 .36 .00 .49 .36 .20 0.420 2074 599 2025 1255 62.8 6.493 1.78 1.55 0.277 0.005 0.6 0.000 0.526 0.00-.09 .48 .01 .51 .48 .21 0.540 1404 441 1386 853 66.7 5.517 1.52 1.55 0.296 -0.013 0.6 0.000 0.520 0.00-.10 .59 .00 .55 .60 .22 0.660 869 247 859 510 72.4 4.461 1.24 1.54 0.373 -0.064 0.6 0.000 0.736 0.00-.14 .71 .02 .58 .72 .22 0.780 443 121 442 266 74.0 3.774 1.08 1.50 0.447 -0.130 0.7 0.000 0.804 0.00-.16 .84 .04 .59 .84 .23 0.900 278 62 278 148 82.7 2.681 0.77 1.42 0.531 -0.192 0.8 0.000 1.029 0.00-.26 .95 .05 .70 .95 .23 1.020 149 31 149 80 79.2 2.437 0.72 1.39 0.465 -0.132 0.7 0.000 0.752 0.00-.26 1.1 .05 .69 1.1 .24 1.140 68 20 68 36 83.8 2.183 0.63 1.37 0.684 -0.249 0.8 0.000 1.455 0.00-.19 1.2 .03 .62 1.2 .26 1.260 41 6 41 23 85.4 1.737 0.54 1.14 0.710 -0.357 1.5 0.000 1.033 0.00-.19 1.3 .07 .81 1.3 .27 1.380 77 4 77 25 89.6 -4.961 -1.37 0.53 0.670 -0.217 1.9 0.000 0.539 0.00-1.7 2.3 .13 2.8 2.6 .32 1.500 ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -0.780 5 1 5 2 60.0 5.900 1.29 1.37 0.494 0.226 1.2 0.000 1.246 0.00 .12-.24-.72 .97 .59 .72 -0.660 65 14 65 36 66.2 4.969 1.53 1.55 0.412 0.007 0.8 0.000 0.670 0.00 .18-.09-.58 .50 .52 .58 -0.540 565 141 563 297 72.0 4.397 1.32 1.39 0.362 -0.036 0.7 0.000 0.906 0.00 .17-.03-.46 .58 .49 .46 -0.420 2162 625 2126 1207 65.4 6.007 1.74 1.44 0.300 0.012 0.7 0.000 0.686 0.00 .12 .02-.35 .51 .42 .35 -0.300 4524 1335 4357 2671 62.8 8.006 2.19 1.57 0.234 -0.009 0.7 0.000 0.480 0.00 .05-.00-.23 .47 .42 .24 -0.180 7143 2163 6755 4360 56.9 11.921 3.08 1.67 0.152 -0.001 0.6 0.000 0.284 0.00-.01 .01-.12 .47 .38 .12 -0.060 9717 2994 8884 6132 54.2 15.599 3.94 1.70 0.116 -0.002 0.6 0.000 0.257 0.00-.06 .02 .00 .48 .39 .04 0.060 7458 2190 6999 4684 56.2 12.488 3.25 1.65 0.142 0.002 0.6 0.000 0.282 0.00-.12 .01 .12 .50 .40 .12 0.180 4566 1441 4381 2867 61.1 8.919 2.41 1.56 0.191 0.004 0.6 0.000 0.347 0.00-.20 .02 .24 .56 .43 .24 0.300 2420 694 2372 1422 63.8 5.996 1.71 1.45 0.272 0.021 0.7 0.000 0.522 0.00-.28 .01 .35 .61 .49 .35 0.420 700 198 698 372 66.7 5.086 1.50 1.34 0.319 -0.006 0.8 0.000 0.695 0.00-.37-.02 .46 .72 .57 .46 0.540 97 21 97 51 66.0 3.052 0.97 1.20 0.400 -0.095 1.1 0.000 0.789 0.00-.65 .16 .58 1.4 .98 .58 0.660 12 0 12 4 75.0 4.907 1.38 0.53 0.200 -0.321 4.6 0.000 0.000 0.00-2.7 .76 .72 4.1 3.2 .72 0.780 1 0 1 1 0.0 3.956 4.19 1.47 0.614 0.614 2.6 0.000 0.000 0.00 .18-.22 .79 .18 .22 .79 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 1 0 1 0100.0 -7.838 -1.82 0.04 0.000 0.000 0.0 0.000 0.000 0.00-10.-8.5 1.1 10. 8.5 1.1 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.500 #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 15330 0 15330 0 66.1 6.981 1.84 1.41 0.000 0.000 0.0 0.000 0.000 0.00-.12 .01 .00 .62 .47 .21 1.000 24106 11817 12053 24106 53.8 13.857 3.67 1.74 0.157 0.000 0.7 0.000 0.321 0.00-.05 .01 .01 .45 .39 .20 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 Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 6759 2864 3694 6130 31.3 34.481 8.41 2.32 0.065 0.000 0.6 0.000 0.130 0.00-.02 .02 .01 .34 .33 .17 1.618 5965 2342 3591 4748 55.2 10.788 2.48 2.02 0.196 0.000 0.6 0.000 0.388 0.00-.04 .02 .01 .41 .39 .19 1.284 5076 1703 3370 3412 61.2 8.472 1.99 1.86 0.239 0.000 0.6 0.000 0.484 0.00-.05 .01 .00 .44 .40 .20 1.122 4563 1339 3224 2678 60.9 7.084 1.91 1.66 0.291 0.000 0.6 0.000 0.584 0.00-.04 .01 .00 .44 .39 .20 1.019 4181 1085 3096 2170 62.5 5.718 1.72 1.48 0.386 0.000 0.7 0.000 0.763 0.00-.02 .00 .00 .47 .40 .21 0.946 3870 889 2981 1778 63.2 5.052 1.60 1.27 0.478 0.000 0.8 0.000 0.953 0.00-.00 .00-.00 .48 .40 .21 0.891 3574 729 2845 1458 66.7 4.572 1.42 1.07 0.554 0.000 0.9 0.000 1.089 0.00-.04 .02-.00 .50 .43 .22 0.846 3280 579 2701 1158 72.6 3.683 1.08 0.83 0.592 0.000 0.8 0.000 1.117 0.00-.08 .00 .01 .53 .44 .23 0.809 2089 287 1802 574 90.8 -1.380 -0.38 0.59 0.582 0.000 0.7 0.000 1.201 0.00-.67 .02 .02 1.0 .53 .24 0.778 79 0 79 0100.0 -8.637 -2.00 0.19 0.000 0.000 0.0 0.000 0.000 0.00-3.5 .03 .16 4.0 3.0 .37 0.751 Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 12830 3564 11053 7176 99.5 -0.404 -0.12 1.46 1.123 -2.101 0.7 0.000 2.254 0.00-.15 .01 .00 .69 .52 .22 2.974 7994 2322 7354 4773 92.3 4.439 1.33 1.56 0.380 0.016 0.6 0.000 0.761 0.00-.03 .01 .00 .47 .40 .21 5.948 9920 2806 8871 5704 29.4 8.444 2.32 1.55 0.260 0.070 0.7 0.000 0.526 0.00-.04 .01 .01 .44 .38 .21 11.897 4933 1564 4040 3248 0.8 16.228 3.70 1.75 0.151 0.039 0.7 0.000 0.306 0.00-.04 .02 .01 .37 .34 .19 23.794 2239 913 1560 1839 0.0 33.225 5.90 2.12 0.082 0.008 0.6 0.000 0.163 0.00-.04 .03 .01 .27 .24 .15 47.588 1024 444 644 926 0.0 63.675 10.47 2.31 0.050 0.010 0.6 0.000 0.103 0.00-.02 .03 .01 .18 .14 .13 95.175 330 142 191 299 0.0 129.430 19.59 2.58 0.031 0.000 0.7 0.000 0.064 0.00-.02 .03 .02 .11 .09 .13 190.350 118 45 69 106 0.0 253.165 32.25 2.90 0.033 0.002 1.1 0.000 0.068 0.00-.03 .02-.02 .10 .06 .12 380.700 33 12 21 25 0.0 529.793 53.65 3.20 0.025 0.001 1.4 0.000 0.052 0.00-.05 .01-.00 .09 .05 .11 761.400 15 5 10 10 0.0 1151.826 75.99 3.36 0.037 0.000 2.9 0.000 0.076 0.00-.07 .02 .01 .11 .05 .13 1522.800 #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 19488 5612 16012 10870100.0 1.299 0.38 1.53 0.709 -0.452 0.6 0.000 1.354 0.00-.11 .01 .00 .62 .48 .22 1.590 7601 2208 7097 4412 47.5 7.563 2.04 1.59 0.263 0.045 0.6 0.000 0.505 0.00-.04 .01 .00 .45 .38 .21 2.529 6539 1877 6035 4030 0.0 12.535 3.17 1.59 0.189 0.060 0.7 0.000 0.373 0.00-.04 .01 .01 .41 .36 .20 4.022 3098 1055 2751 2309 0.0 23.052 4.93 1.78 0.114 0.049 0.7 0.000 0.223 0.00-.02 .02 .00 .32 .31 .18 6.396 1181 477 1016 1069 0.0 37.599 8.06 2.12 0.081 0.012 0.8 0.000 0.150 0.00-.02 .03 .01 .22 .24 .15 10.171 883 358 742 823 0.0 55.642 12.69 2.09 0.049 -0.005 0.8 0.000 0.095 0.00-.01 .02 .02 .16 .21 .15 16.175 426 158 351 401 0.0 101.517 19.99 2.25 0.039 -0.003 0.9 0.000 0.078 0.00-.02 .01 .02 .12 .13 .15 25.723 143 48 117 130 0.0 183.511 32.26 2.60 0.032 0.002 1.1 0.000 0.065 0.00-.05 .01 .02 .10 .07 .17 40.907 62 20 51 50 0.0 426.087 52.02 2.84 0.029 0.005 1.6 0.000 0.052 0.00-.04 .02 .01 .08 .05 .14 65.054 15 4 11 12 0.0 1028.589 81.86 2.98 0.036 0.003 2.8 0.000 0.079 0.00-.10 .00-.01 .12 .04 .16 103.454 Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2817 1058 1744 2197 29.7 37.620 8.16 1.99 0.015 0.000 0.1 0.000 0.030 0.00-.05 .02 .01 .38 .34 .19 0.030 2043 928 1243 1885 25.5 32.782 7.19 2.03 0.043 0.006 0.3 0.000 0.087 0.00-.04 .02 .01 .41 .32 .17 0.060 1933 790 1420 1673 29.7 24.413 5.52 1.92 0.074 0.008 0.4 0.000 0.148 0.00-.06 .02 .01 .41 .32 .19 0.090 2471 724 2265 1436 43.7 15.518 3.75 1.72 0.104 0.009 0.4 0.000 0.208 0.00-.05 .02 .01 .49 .45 .20 0.120 1498 602 1498 1238 36.5 14.763 3.69 1.75 0.134 0.026 0.5 0.000 0.267 0.00-.05 .02 .01 .43 .39 .19 0.150 1400 528 1400 1111 41.8 11.449 2.96 1.73 0.165 0.020 0.5 0.000 0.329 0.00-.05 .02 .01 .46 .39 .21 0.180 1107 479 1107 987 43.5 9.987 2.67 1.69 0.195 0.047 0.6 0.000 0.389 0.00-.05 .02 .01 .47 .39 .20 0.210 1078 452 1078 916 48.2 8.833 2.34 1.73 0.225 0.060 0.6 0.000 0.451 0.00-.05 .00 .01 .43 .38 .20 0.240 905 349 905 776 50.7 7.824 2.19 1.64 0.254 0.083 0.6 0.000 0.507 0.00-.07 .03 .01 .54 .47 .21 0.270 1691 341 1691 742 54.9 8.162 2.34 1.45 0.284 0.055 0.7 0.000 0.569 0.00-.09 .03 .00 .56 .49 .20 0.300 797 373 797 733 53.8 7.321 2.06 1.66 0.314 0.118 0.7 0.000 0.629 0.00-.07 .02 .03 .50 .41 .21 0.330 857 301 857 633 55.3 7.202 2.07 1.58 0.344 0.105 0.7 0.000 0.687 0.00-.06 .00 .01 .46 .39 .21 0.360 807 313 807 620 57.7 6.676 1.89 1.57 0.374 0.113 0.8 0.000 0.748 0.00-.04 .00-.01 .48 .41 .21 0.390 574 253 574 508 58.2 6.192 1.79 1.58 0.405 0.179 0.9 0.000 0.809 0.00-.05-.04 .00 .48 .42 .21 0.420 1115 251 1115 495 67.6 5.646 1.53 1.55 0.434 0.083 0.8 0.000 0.868 0.00-.06-.02 .00 .54 .43 .22 0.450 1015 192 1015 413 69.3 5.106 1.41 1.47 0.465 0.081 0.9 0.000 0.930 0.00-.07-.02 .01 .56 .42 .21 0.480 476 192 476 403 64.7 5.535 1.63 1.62 0.494 0.201 0.9 0.000 0.986 0.00-.06 .01 .01 .49 .39 .20 0.510 469 208 469 399 67.4 5.279 1.57 1.53 0.525 0.193 0.9 0.000 1.050 0.00-.06 .04 .01 .50 .38 .22 0.540 441 176 441 329 67.6 4.761 1.41 1.52 0.555 0.152 1.0 0.000 1.112 0.00-.09 .06 .01 .51 .42 .22 0.570 15942 3307 14418 6612 78.3 3.972 1.13 1.44 1.219 -0.147 1.0 0.000 2.413 0.00-.10 .01 .00 .58 .45 .21 0.600 dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 12481 2685 12481 5412 80.5 3.913 1.10 1.52 1.281 -0.327 0.9 0.000 2.559 0.00-.08 .00 .00 .57 .45 .21 -0.460 813 117 813 246 74.5 4.894 1.30 1.54 0.439 -0.135 0.6 0.000 0.876 0.00-.08-.03 .00 .58 .45 .22 -0.420 364 111 364 243 75.0 4.886 1.30 1.65 0.399 -0.299 0.6 0.000 0.796 0.00-.07-.04-.00 .52 .45 .21 -0.380 570 148 570 294 67.4 6.848 1.86 1.64 0.361 -0.156 0.6 0.000 0.724 0.00-.06 .01-.00 .52 .41 .20 -0.340 376 177 376 343 70.2 5.957 1.58 1.76 0.319 -0.323 0.6 0.000 0.642 0.00-.08 .01 .02 .51 .43 .20 -0.300 1109 154 1109 354 63.7 5.970 1.69 1.42 0.278 -0.098 0.5 0.000 0.555 0.00-.11 .04 .01 .53 .45 .20 -0.260 529 201 529 403 61.8 7.459 1.95 1.72 0.237 -0.196 0.6 0.000 0.473 0.00-.07 .00 .01 .54 .46 .20 -0.220 576 225 576 494 51.0 9.259 2.45 1.73 0.199 -0.180 0.6 0.000 0.397 0.00-.06 .03 .02 .44 .39 .20 -0.180 854 290 854 621 45.6 12.287 3.13 1.75 0.159 -0.121 0.5 0.000 0.318 0.00-.06 .02 .01 .47 .40 .21 -0.140 1023 369 1023 764 41.9 13.850 3.39 1.79 0.118 -0.096 0.4 0.000 0.234 0.00-.08 .02 .01 .49 .45 .19 -0.100 1662 434 1662 952 45.2 17.511 4.15 1.79 0.078 -0.066 0.4 0.000 0.155 0.00-.05 .01 .01 .48 .42 .20 -0.060 1280 581 1280 1193 25.5 36.434 7.89 2.06 0.036 -0.036 0.3 0.000 0.072 0.00-.04 .02 .01 .42 .31 .17 -0.020 2090 719 1356 1495 31.8 33.571 7.42 1.95 0.010 0.000 0.1 0.000 0.019 0.00-.06 .01 .01 .39 .35 .19 0.020 1490 686 1490 1394 24.6 37.684 8.09 2.03 0.037 0.037 0.3 0.000 0.077 0.00-.04 .02 .02 .37 .32 .17 0.060 1385 583 1385 1206 28.1 23.238 5.21 1.88 0.078 0.074 0.4 0.000 0.156 0.00-.06 .03 .02 .40 .33 .19 0.100 1254 537 1254 1043 31.9 18.167 4.43 1.76 0.119 0.090 0.5 0.000 0.236 0.00-.03 .02 .00 .42 .38 .20 0.140 1124 431 1124 872 38.0 13.300 3.44 1.70 0.158 0.115 0.5 0.000 0.316 0.00-.04 .03 .01 .45 .39 .20 0.180 924 395 924 816 41.1 9.926 2.64 1.69 0.200 0.185 0.6 0.000 0.398 0.00-.05 .01 .00 .47 .39 .20 0.220 764 354 764 719 39.5 9.001 2.55 1.64 0.240 0.225 0.6 0.000 0.478 0.00-.05 .01 .01 .44 .39 .21 0.260 879 292 879 635 43.1 10.822 3.11 1.56 0.280 0.165 0.8 0.000 0.563 0.00-.07 .03 .00 .60 .53 .21 0.300 674 309 674 620 45.3 7.814 2.28 1.58 0.319 0.303 0.8 0.000 0.637 0.00-.08 .01 .02 .48 .39 .21 0.340 586 264 586 540 46.2 7.525 2.25 1.53 0.360 0.345 0.9 0.000 0.721 0.00-.03-.00 .01 .44 .39 .21 0.380 465 231 465 454 44.3 7.206 2.24 1.51 0.400 0.397 1.0 0.000 0.800 0.00-.02-.01 .00 .43 .39 .21 0.420 437 192 437 381 52.2 6.998 2.05 1.55 0.438 0.393 1.0 0.000 0.876 0.00-.01 .01 .00 .44 .40 .20 0.460 5727 1332 5727 2612 69.6 4.564 1.33 1.30 0.692 0.315 1.1 0.000 1.403 0.00-.12 .02 .01 .60 .43 .22 0.500 dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 28079 9655 19229 19169 58.9 11.178 2.88 1.68 0.120 0.002 0.4 0.000 0.252 0.00-.07 .01 .01 .51 .41 .20 1.000 9556 1877 8252 4152 59.1 10.115 2.83 1.46 0.283 -0.001 1.4 0.000 0.586 0.00-.08 .01 .00 .55 .43 .21 2.000 1607 242 1494 638 53.0 13.907 4.24 1.34 0.241 -0.013 2.3 0.000 0.436 0.00-.09 .02 .00 .54 .45 .21 3.000 124 34 119 104 28.2 35.778 14.35 1.33 0.178 0.009 3.4 0.000 0.537 0.00-.03-.01 .01 .34 .37 .22 4.000 28 7 28 23 21.4 27.861 12.41 1.37 0.250 -0.074 4.4 0.000 1.401 0.00 .05-.04-.00 .32 .29 .23 5.000 7 1 7 7 42.9 4.759 4.15 0.85 0.929 -0.457 5.4 0.000 0.874 0.00 .29 .12 .15 .50 .97 .36 6.000 10 1 9 4 20.0 264.193 45.61 2.08 0.076 -0.005 6.5 0.000 0.154 0.00 .17-.12 .03 .49 .61 .15 7.000 10 0 10 3 50.0 10.201 3.03 1.71 1.029 -0.214 7.4 0.000 0.000 0.00 .32-.07-.01 .50 1.1 .27 8.000 1 0 1 1 0.0 8.540 14.58 1.25 0.549 0.549 8.0 0.000 0.000 0.00 .10 .18-.03 .10 .18 .03 9.000 7 0 7 2 28.6 16.646 4.01 1.85 1.051 -0.143 9.8 0.000 0.000 0.00 .02 .32 .03 .53 .65 .16 10.000 1 0 1 1 0.0 8.284 9.52 0.62 1.119 -1.119 10.7 0.000 0.000 0.00 .04-.66-.17 .04 .66 .17 11.000 6 0 6 2 50.0 10.661 3.94 1.55 1.005 -0.341 11.8 0.000 0.000 0.00 .01 .47 .04 .63 .96 .49 12.000 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 13.000 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 14.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 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 17.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 18.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 21.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 22.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 25.000 Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 39436 11817 27383 24106 58.6 11.184 2.96 1.61 0.157 0.000 0.7 0.000 0.321 0.00-.07 .01 .01 .52 .42 .20 1.000 Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1345 0 1345 0 70.0 18.534 4.76 1.79 0.000 0.000 0.0 0.000 0.000 0.00-.08 .02 .01 .47 .43 .21 1.000 Coverage Statistics for klat0832.raw .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.618 3694 3692 100.00 1.83 0.065 2864 77.57 0.065 8.41 31.3 to 1.284 7285 7336 99.30 1.75 0.092 5206 70.97 0.196 2.48 55.2 to 1.122 10655 10922 97.56 1.67 0.106 6909 63.26 0.239 1.99 61.2 to 1.019 13879 14520 95.59 1.61 0.118 8248 56.80 0.291 1.91 60.9 to 0.946 16975 18137 93.59 1.56 0.128 9333 51.46 0.386 1.72 62.5 to 0.891 19956 21727 91.85 1.52 0.138 10222 47.05 0.478 1.60 63.2 to 0.846 22801 25298 90.13 1.49 0.147 10951 43.29 0.554 1.42 66.7 to 0.809 25502 28854 88.38 1.46 0.154 11530 39.96 0.592 1.08 72.6 to 0.778 27304 32454 84.13 1.44 0.157 11817 36.41 0.582 -0.38 90.8 to 0.751 27383 36040 75.98 1.44 0.157 11817 32.79 0.000 -2.00100.0