SAINT V7.16B SAINT C:\SAXI\SAINT32\Int.slm /BATCH /NOPROMPT /SCALES:1020 !==================================================== !04/06/05 10:43:17 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 4 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 10:43:17 Initial background range (deg) = 12.00 Number of BG pixels >= 64K: 0 Initial BG frame written to klat0834._ib Nominal time per frame (s): 30.135 Intensity normalization in deg/min: 0.596859 Output intensities are multiplied by this value to place on scale of 1 min/deg Reading orientation and spatial calibration ========== 04/06/05 10:43:19 Orientation for 1 component(s) read from C:\frames\klat083\klat0834.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\klat0834.p4p Single-detector spatial correction will be used Active pixel mask ================== 04/06/05 10:43:19 Active pixel mask written to klat0834._am Scan axis is 2 Direction cosines of rotation axis: 0.000 0.000 1.000 Starting frame angles (degrees): 332.000 146.000 270.000 54.825 Exposures per frame: 2 Fraction of I to be combined with output sigmas: 0.000 Maximum number of frames to be processed: 400 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 10:43:19 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 = 81.55% # 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 6 -0.21 0.25 0.10 0.42 0.42 0.12 9.633 2 50 0.35 13 0.66 0.66 0.43 1.000 2 .003 65 0.08 0.04 0.01 0.64 0.42 0.22 31.376 4 38 0.48 17 0.66 0.66 0.43 1.000 3 .004 67 0.07 0.10 -0.01 0.45 0.47 0.18 37.696 4 46 0.53 18 0.66 0.66 0.43 1.000 4 .005 74 0.01 0.09 0.05 0.45 0.45 0.21 27.106 4 42 0.53 18 0.66 0.66 0.43 1.000 5 .006 78 0.13 0.05 0.01 0.62 0.51 0.20 41.54 4 44 0.56 19 0.66 0.66 0.43 1.000 6 .007 61 0.15 0.06 -0.02 0.45 0.38 0.22 29.449 4 44 0.53 19 0.66 0.66 0.43 1.000 7 .008 75 0.02 0.12 -0.01 0.88 0.55 0.23 26.657 3 48 0.55 19 0.66 0.66 0.43 1.000 8 .009 65 0.09 0.04 0.03 0.52 0.36 0.23 38.09 5 28 0.58 18 0.66 0.66 0.43 1.000 9 .010 64 -0.03 0.00 0.04 0.54 0.43 0.23 25.578 4 45 0.54 20 0.66 0.66 0.43 1.000 10 .011 61 0.04 0.04 -0.03 0.52 0.37 0.21 24.42 3 46 0.50 18 0.66 0.66 0.43 1.000 11 .012 63 0.05 0.01 0.01 0.51 0.41 0.23 38.836 4 48 0.51 20 0.66 0.66 0.43 1.000 12 .013 79 0.05 0.04 -0.02 0.53 0.46 0.20 19.894 3 53 0.53 19 0.66 0.66 0.43 1.000 13 .014 70 0.04 0.02 -0.04 0.50 0.35 0.19 23.444 3 47 0.53 19 0.66 0.66 0.43 1.000 14 .015 69 0.04 -0.00 0.07 0.47 0.37 0.24 28.853 4 43 0.54 18 0.66 0.66 0.43 1.000 15 .016 66 0.01 0.02 0.03 0.73 0.64 0.19 22.43 3 56 0.54 17 0.66 0.66 0.43 1.000 16 .017 76 -0.04 0.04 -0.01 0.57 0.49 0.23 17.412 2 58 0.52 18 0.66 0.66 0.43 1.000 17 .018 69 0.01 0.09 0.02 0.59 0.38 0.18 35.88 4 43 0.57 20 0.66 0.66 0.43 1.000 18 .019 70 0.01 0.10 -0.00 0.50 0.36 0.22 29.5 3 44 0.53 20 0.66 0.66 0.43 1.000 19 .020 69 -0.02 0.05 0.00 0.48 0.45 0.19 29.734 4 42 0.52 18 0.66 0.66 0.43 1.000 Background pixels updated = 83.89% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 66 0.03 0.02 -0.00 0.79 0.48 0.19 26.311 3 53 0.56 18 0.66 0.66 0.43 1.000 21 .022 59 -0.02 -0.01 0.01 0.69 0.50 0.20 23.275 3 53 0.53 18 0.66 0.66 0.43 1.000 22 .023 62 -0.10 0.04 0.02 0.74 0.51 0.22 19.777 2 48 0.49 19 0.66 0.66 0.43 1.000 23 .024 64 -0.02 0.01 0.04 0.53 0.41 0.21 23.497 3 36 0.50 18 0.66 0.66 0.43 1.000 24 .025 73 -0.07 0.07 -0.03 0.84 0.59 0.22 18.062 2 47 0.49 18 0.66 0.66 0.43 1.000 25 .026 67 -0.01 0.06 0.05 0.44 0.35 0.20 23.946 3 37 0.53 18 0.66 0.66 0.43 1.000 26 .027 61 -0.04 0.13 -0.03 0.51 0.36 0.19 30.205 4 39 0.55 19 0.66 0.66 0.43 1.000 27 .028 75 0.01 0.12 -0.01 0.62 0.43 0.21 34.882 4 32 0.58 20 0.66 0.66 0.43 1.000 28 .029 71 -0.07 0.00 -0.01 0.45 0.36 0.19 27.83 3 39 0.52 18 0.66 0.66 0.43 1.000 29 .030 63 -0.03 0.05 -0.04 0.44 0.35 0.19 36.045 4 30 0.55 17 0.66 0.66 0.43 1.000 30 .031 79 0.00 0.13 0.00 0.44 0.38 0.22 35.192 3 43 0.50 18 0.66 0.66 0.43 1.000 31 .032 69 -0.02 -0.03 0.04 0.44 0.48 0.21 24.36 3 48 0.53 18 0.66 0.66 0.43 1.000 32 .033 71 -0.08 0.12 -0.04 0.42 0.37 0.20 19.728 2 52 0.52 18 0.66 0.66 0.43 1.000 33 .034 65 -0.03 0.02 0.05 0.46 0.40 0.19 25.462 3 49 0.51 20 0.66 0.66 0.43 1.000 34 .035 65 -0.04 0.01 0.03 0.75 0.52 0.21 22.866 3 58 0.49 20 0.66 0.66 0.43 1.000 35 .036 73 -0.02 0.10 0.03 0.64 0.62 0.20 14.617 2 68 0.50 18 0.66 0.66 0.43 1.000 36 .037 58 0.02 0.07 0.01 0.44 0.38 0.19 17.913 2 55 0.46 16 0.66 0.66 0.43 1.000 37 .038 76 -0.00 0.09 -0.01 0.49 0.39 0.22 20.879 3 49 0.52 19 0.66 0.66 0.43 1.000 38 .039 62 0.07 0.01 0.01 0.51 0.38 0.20 22.695 3 40 0.50 18 0.66 0.66 0.43 1.000 39 .040 55 0.00 0.11 0.01 0.55 0.39 0.23 39.483 4 51 0.54 18 0.66 0.66 0.43 1.000 Background pixels updated = 81.78% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 74 0.01 -0.04 0.01 0.72 0.42 0.18 23.119 3 47 0.54 20 0.66 0.66 0.43 1.000 41 .042 67 -0.08 0.12 0.00 0.53 0.42 0.21 18.352 2 58 0.48 18 0.66 0.66 0.43 1.000 42 .043 73 -0.04 -0.02 0.02 0.68 0.67 0.19 23.263 2 60 0.52 18 0.66 0.66 0.43 1.000 43 .044 67 -0.05 0.09 0.01 0.68 0.49 0.21 24.671 3 46 0.48 17 0.66 0.66 0.43 1.000 44 .045 78 0.03 0.05 -0.04 0.50 0.41 0.22 17.549 2 54 0.46 18 0.66 0.66 0.43 1.000 45 .046 63 0.02 0.07 0.02 0.48 0.46 0.19 22.596 3 41 0.55 18 0.66 0.66 0.43 1.000 46 .047 71 0.02 0.14 -0.05 0.67 0.38 0.17 39.077 4 48 0.58 19 0.66 0.66 0.43 1.000 47 .048 63 0.02 0.05 -0.04 0.49 0.48 0.21 22.565 3 40 0.56 18 0.66 0.66 0.43 1.000 48 .049 80 0.00 0.03 0.02 0.71 0.44 0.20 26.07 3 38 0.56 20 0.66 0.66 0.43 1.000 49 .050 67 -0.04 0.07 -0.05 0.75 0.43 0.20 24.611 3 48 0.52 19 0.66 0.66 0.43 1.000 50 .051 70 -0.14 0.08 -0.01 0.78 0.45 0.21 19.894 3 49 0.51 19 0.66 0.66 0.43 1.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999843; Maximum = 0.0130184 !Averaged profile: Section 1->3 0 1 1 1 1 1 1 1 0 1 2 2 2 3 3 2 2 1 2 4 4 5 5 5 4 4 2 1 2 2 2 2 2 2 1 1 2 5 5 5 6 5 5 4 2 4 9 10 10 11 10 9 8 4 1 2 2 2 2 2 2 1 1 2 5 7 8 7 6 4 4 2 5 10 14 16 16 12 9 7 3 1 2 2 3 3 2 2 1 1 2 6 9 12 11 8 5 4 2 5 12 21 31 29 19 10 7 3 1 2 3 4 3 3 2 1 1 2 6 12 17 16 10 6 4 2 5 14 28 44 43 26 13 8 4 1 2 3 3 3 2 2 1 1 2 6 11 15 15 10 6 4 2 5 13 25 39 39 25 13 9 4 1 2 2 2 2 2 2 2 1 2 5 7 9 9 7 5 4 2 5 10 16 22 22 16 10 8 4 1 1 2 2 2 2 2 2 1 2 4 5 6 5 5 5 4 2 4 8 10 12 11 10 9 8 4 0 1 1 1 1 1 1 1 0 1 2 2 2 2 2 3 2 1 2 3 4 5 5 4 4 4 2 !Averaged profile: Section 4->6 3 5 5 6 7 6 5 5 2 3 6 6 7 7 6 6 5 2 3 6 6 6 6 5 5 4 2 6 11 13 14 14 13 11 10 5 7 13 14 15 15 14 12 10 5 6 12 13 14 13 12 11 9 4 6 14 19 25 24 18 12 10 4 7 15 22 28 29 22 15 11 5 6 14 19 24 25 19 14 10 5 7 17 33 51 52 33 16 11 5 7 19 38 62 65 42 20 13 6 7 17 32 53 58 39 19 12 6 7 20 45 77 79 48 21 13 6 8 23 52 93100 62 27 15 7 7 19 43 80 90 58 25 14 7 7 19 40 67 70 44 20 13 6 7 21 46 81 89 57 26 15 7 7 18 39 71 80 53 24 14 7 6 15 24 36 37 26 15 11 5 7 16 27 42 46 32 18 13 6 6 14 23 37 42 30 17 12 6 5 11 14 17 16 14 11 10 4 5 11 15 19 19 16 12 10 5 5 10 13 16 17 14 11 9 5 2 5 6 6 6 6 5 5 2 2 5 6 7 7 6 5 5 2 2 5 6 6 6 5 5 4 2 !Averaged profile: Section 7->9 3 5 5 5 4 4 3 3 1 2 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 0 5 9 10 10 9 8 8 7 3 2 5 5 5 4 4 4 4 2 1 2 2 2 1 1 2 1 1 4 10 13 16 16 13 10 8 4 2 5 6 8 7 6 5 5 2 1 2 2 2 2 2 2 2 1 5 12 20 33 37 26 14 9 5 2 6 9 14 15 11 7 5 3 1 2 3 3 4 3 2 2 1 5 13 27 49 57 38 18 11 5 3 6 11 20 23 17 9 6 3 1 2 3 5 5 4 2 2 1 5 12 24 44 51 35 17 11 5 2 6 10 18 21 16 8 6 3 1 2 3 4 5 4 2 2 1 4 10 15 24 27 21 12 9 5 2 5 7 10 12 10 6 5 3 1 2 2 3 3 3 2 2 1 3 7 9 11 12 10 8 7 4 2 4 5 6 6 5 4 4 2 1 1 2 2 2 2 1 1 1 2 4 4 4 4 4 3 3 2 1 2 2 2 2 2 2 2 1 0 1 1 1 1 1 1 1 1 Orientation least squares, component 1 (140 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 140 0 140 7.4889 0.7835 5.440 53.944 A B C Alpha Beta Gamma Vol 23.5159 25.7998 24.3045 90.000 105.515 90.000 14208.38 0.0082 0.0204 0.0080 0.000 0.006 0.000 19.96 Corrected for goodness of fit: 0.0179 0.0444 0.0175 0.000 0.014 0.000 43.46 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.217 152.408 67.438 Goniometer zeros (deg): 0.0000 0.0851 0.0000 -0.0175 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.491 0.873 0.040 0.217 0.565 0.062 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 4.16467e+003 1.91996e+003 2.18 25 1 Repeat orientation and spot-shape refinement ============= 04/06/05 10:43:29 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 = 82.22% # 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 0.51 1.000 1 .002 4 -0.12 0.17 0.06 0.33 0.43 0.13 6.0456 1 75 0.22 13 0.78 0.62 0.51 1.000 2 .003 69 -0.00 0.05 0.01 0.54 0.44 0.20 24.643 3 43 0.52 17 0.78 0.62 0.51 1.000 3 .004 70 -0.05 0.08 0.01 0.48 0.35 0.19 22.244 3 53 0.50 19 0.76 0.60 0.53 1.000 4 .005 73 -0.02 0.02 0.02 0.38 0.42 0.17 12.502 2 48 0.51 17 0.75 0.60 0.53 1.000 5 .006 77 0.04 -0.05 0.00 0.49 0.43 0.17 28.415 3 58 0.54 20 0.75 0.60 0.53 1.000 6 .007 55 0.03 0.02 -0.02 0.44 0.40 0.21 19.548 2 55 0.50 20 0.75 0.59 0.53 1.000 7 .008 74 -0.12 0.06 0.01 0.86 0.59 0.22 13.504 2 65 0.51 18 0.75 0.59 0.53 1.000 8 .009 70 0.00 0.04 0.03 0.45 0.35 0.17 18.942 3 51 0.54 19 0.75 0.59 0.53 1.000 9 .010 67 -0.11 -0.04 0.02 0.54 0.40 0.19 14.728 2 69 0.49 18 0.75 0.59 0.54 1.000 10 .011 57 0.04 0.06 -0.04 0.43 0.36 0.20 13.321 2 67 0.48 19 0.75 0.59 0.54 1.000 11 .012 64 -0.05 -0.04 -0.01 0.56 0.42 0.22 25.766 3 59 0.44 19 0.75 0.59 0.54 1.000 12 .013 73 -0.01 0.01 -0.03 0.40 0.36 0.22 12.914 2 64 0.52 20 0.75 0.59 0.54 1.000 13 .014 70 0.05 0.01 -0.05 0.52 0.37 0.21 9.5275 2 69 0.45 18 0.75 0.59 0.54 1.000 14 .015 77 0.00 -0.00 0.04 0.49 0.39 0.20 14.673 2 69 0.50 20 0.75 0.59 0.54 1.000 15 .016 64 -0.11 -0.00 0.03 0.78 0.57 0.22 17.005 2 70 0.49 17 0.75 0.59 0.54 1.000 16 .017 77 -0.03 -0.01 -0.01 0.56 0.52 0.19 13.669 2 68 0.50 19 0.75 0.59 0.54 1.000 17 .018 71 -0.05 0.05 0.02 0.52 0.32 0.20 22.196 3 46 0.47 19 0.75 0.59 0.54 1.000 18 .019 71 0.01 0.06 0.02 0.41 0.34 0.19 23.683 3 52 0.50 19 0.75 0.59 0.54 1.000 19 .020 69 -0.07 0.05 0.00 0.55 0.47 0.20 23.691 3 65 0.49 18 0.75 0.59 0.54 1.000 Background pixels updated = 84.11% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 63 -0.11 0.05 0.01 0.84 0.56 0.22 14.157 2 59 0.49 17 0.75 0.59 0.54 1.000 21 .022 60 -0.11 -0.09 0.01 0.69 0.45 0.20 16.978 2 65 0.49 18 0.75 0.59 0.54 1.000 22 .023 65 -0.06 0.04 -0.01 0.70 0.49 0.20 13.995 2 55 0.46 19 0.75 0.59 0.54 1.000 23 .024 60 -0.02 0.08 0.05 0.55 0.38 0.22 14.538 2 48 0.42 18 0.76 0.60 0.54 1.000 24 .025 78 -0.09 0.03 -0.02 0.79 0.57 0.22 11.641 2 60 0.43 19 0.76 0.60 0.54 1.000 25 .026 66 -0.07 0.03 0.03 0.41 0.36 0.22 16.615 2 55 0.48 18 0.76 0.60 0.54 1.000 26 .027 58 -0.07 0.05 -0.01 0.49 0.30 0.20 25.475 3 48 0.53 18 0.76 0.60 0.54 1.000 27 .028 72 -0.02 0.09 -0.01 0.42 0.40 0.22 27.276 3 46 0.54 19 0.76 0.60 0.54 1.000 28 .029 77 -0.13 -0.06 0.03 0.55 0.43 0.22 23.408 3 44 0.51 19 0.76 0.60 0.54 1.000 29 .030 65 -0.05 0.05 -0.07 0.44 0.34 0.23 27.694 3 42 0.50 18 0.76 0.60 0.54 1.000 30 .031 70 0.02 0.15 0.02 0.42 0.39 0.20 32.002 3 51 0.49 18 0.76 0.60 0.54 1.000 31 .032 74 -0.06 -0.01 0.02 0.50 0.42 0.22 14.28 2 64 0.47 18 0.76 0.60 0.54 1.000 32 .033 71 -0.09 0.08 -0.06 0.46 0.39 0.19 19.879 3 59 0.50 18 0.76 0.60 0.54 1.000 33 .034 69 -0.07 0.03 0.02 0.44 0.40 0.20 19.988 2 64 0.48 19 0.76 0.60 0.54 1.000 34 .035 59 -0.06 -0.07 -0.01 0.77 0.48 0.17 16.369 2 61 0.45 20 0.76 0.60 0.54 1.000 35 .036 74 -0.04 0.14 0.01 0.69 0.66 0.19 15.45 2 68 0.52 19 0.76 0.60 0.54 1.000 36 .037 55 -0.02 0.10 0.02 0.49 0.40 0.21 13.629 2 71 0.45 16 0.76 0.60 0.54 1.000 37 .038 75 0.02 0.01 0.00 0.46 0.38 0.21 16.936 2 60 0.52 18 0.76 0.60 0.54 1.000 38 .039 68 0.08 -0.04 0.03 0.49 0.38 0.21 15.012 2 49 0.46 18 0.76 0.60 0.54 1.000 39 .040 57 -0.07 0.12 -0.01 0.56 0.40 0.23 31.867 3 53 0.47 20 0.76 0.60 0.54 1.000 Background pixels updated = 81.98% # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 69 -0.00 -0.04 0.01 0.69 0.33 0.20 19.077 3 49 0.53 18 0.76 0.60 0.54 1.000 41 .042 69 -0.02 0.07 -0.02 0.50 0.43 0.21 13.609 2 55 0.44 18 0.76 0.60 0.54 1.000 42 .043 70 -0.11 -0.07 -0.03 0.62 0.63 0.21 16.818 2 63 0.53 20 0.76 0.60 0.54 1.000 43 .044 70 -0.01 0.12 -0.02 0.66 0.49 0.21 22.874 2 70 0.47 18 0.76 0.60 0.54 1.000 44 .045 74 -0.09 0.01 0.06 0.58 0.46 0.20 10.845 2 62 0.43 18 0.76 0.60 0.54 1.000 45 .046 67 -0.04 0.05 0.01 0.49 0.45 0.19 19.668 3 57 0.51 18 0.76 0.60 0.54 1.000 46 .047 71 0.02 0.11 -0.08 0.55 0.33 0.21 32.706 4 45 0.52 20 0.76 0.60 0.54 1.000 47 .048 64 -0.08 0.07 -0.04 0.63 0.46 0.23 18.896 3 47 0.55 17 0.76 0.60 0.54 1.000 48 .049 77 -0.09 0.02 -0.01 0.74 0.47 0.17 21.679 3 48 0.55 20 0.76 0.60 0.54 1.000 49 .050 67 -0.03 0.07 -0.01 0.74 0.37 0.22 20.564 2 52 0.47 18 0.76 0.60 0.54 1.000 50 .051 76 -0.14 0.07 -0.04 0.70 0.43 0.20 11.319 2 64 0.49 19 0.76 0.60 0.54 1.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999689; Maximum = 0.0230008 !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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 4 3 1 0 0 0 1 5 10 12 9 4 1 0 0 0 1 1 1 1 0 0 0 0 1 4 8 10 6 2 0 0 1 4 12 25 30 20 8 2 0 0 0 1 1 2 1 0 0 0 0 1 6 12 13 9 3 0 0 1 5 16 34 41 28 11 3 0 0 0 1 1 1 1 0 0 0 0 1 5 9 10 7 3 1 0 1 4 13 26 32 22 9 3 0 0 0 1 1 1 0 0 0 0 0 1 2 4 5 3 1 0 0 1 2 6 12 14 10 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 2 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 !Averaged profile: Section 4->6 0 0 1 1 1 1 1 0 0 0 0 1 1 2 1 1 1 0 0 1 1 1 1 1 1 0 0 0 1 3 5 6 5 3 1 0 1 1 4 7 8 7 4 1 0 1 1 3 5 7 6 3 1 0 1 3 10 20 24 18 8 3 0 1 4 12 24 31 23 11 4 1 1 3 9 20 25 20 9 3 1 1 7 22 47 59 42 17 5 1 1 8 26 57 74 54 23 6 1 1 6 20 46 61 45 19 6 1 1 8 29 63 80 57 23 6 1 2 10 34 77100 73 30 8 2 1 7 26 61 82 62 26 7 1 1 7 22 48 61 44 18 5 1 1 8 26 58 76 56 24 7 1 1 6 20 46 62 47 20 6 1 1 4 10 21 27 20 9 3 1 1 4 12 25 33 25 11 4 1 1 3 9 20 27 21 10 3 1 1 2 4 6 7 6 3 1 0 1 2 4 7 9 7 3 1 0 1 1 3 6 7 6 3 1 0 0 1 1 1 1 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 1 1 1 1 0 0 0 !Averaged profile: Section 7->9 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 3 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 5 10 14 11 5 2 1 0 1 1 3 5 4 1 1 0 0 0 0 0 1 1 0 0 0 1 3 10 24 32 25 11 3 1 0 1 3 8 11 9 4 1 0 0 0 0 1 1 1 1 0 0 1 4 13 32 44 34 14 4 1 0 1 4 10 15 12 5 1 0 0 0 0 1 3 2 1 0 0 0 3 10 24 33 26 11 3 1 0 1 3 8 11 9 4 1 0 0 0 0 1 1 1 1 0 0 0 1 5 10 14 11 5 1 0 0 0 1 3 5 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Orientation least squares, component 1 (109 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 109 0 109 7.4848 1.2318 5.443 33.535 A B C Alpha Beta Gamma Vol 23.5001 25.8470 24.2963 90.000 105.408 90.000 14227.30 0.0187 0.0310 0.0151 0.000 0.018 0.000 34.92 Corrected for goodness of fit: 0.0175 0.0290 0.0141 0.000 0.017 0.000 32.64 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.255 152.373 67.468 Goniometer zeros (deg): 0.0000 0.0548 0.0000 0.0706 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.368 0.801 0.039 0.187 0.568 -0.038 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 3.98130e+002 2.72495e+002 0.93 11 0 Integration ============================= 04/06/05 10:43:36 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 = 82.21% 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 0.64 0.51 0.49 1.000 1 .002 4 -0.35 0.01 0.11 0.51 0.29 0.14 4.4817 2 50 0.37 13 0.64 0.51 0.49 1.000 2 .003 72 -0.02 0.02 0.01 0.59 0.36 0.22 11.539 3 54 0.53 17 0.64 0.51 0.49 1.000 3 .004 69 -0.02 0.02 -0.00 0.45 0.34 0.22 10.72 2 57 0.48 18 0.64 0.51 0.49 1.000 4 .005 73 -0.02 0.01 0.03 0.42 0.41 0.17 6.2601 2 52 0.48 17 0.64 0.51 0.49 1.000 5 .006 76 -0.03 -0.08 -0.01 0.56 0.44 0.17 14.431 3 62 0.55 19 0.64 0.51 0.49 1.000 6 .007 60 -0.02 -0.02 -0.02 0.42 0.32 0.21 8.7333 2 65 0.49 20 0.64 0.51 0.49 1.000 7 .008 70 0.00 0.02 -0.02 0.54 0.37 0.22 5.7889 2 69 0.48 18 0.64 0.51 0.49 1.000 8 .009 68 -0.01 -0.04 0.04 0.39 0.35 0.19 10.857 3 54 0.59 18 0.64 0.51 0.49 1.000 9 .010 63 -0.15 -0.03 0.03 0.51 0.37 0.19 6.0488 2 68 0.46 19 0.64 0.51 0.49 1.000 10 .011 60 -0.09 0.00 0.01 0.47 0.37 0.21 7.7144 2 68 0.46 19 0.64 0.51 0.49 1.000 11 .012 65 -0.07 -0.03 -0.01 0.46 0.37 0.19 11.975 2 65 0.48 20 0.64 0.51 0.49 1.000 12 .013 80 0.00 0.03 -0.06 0.51 0.36 0.22 5.9638 2 69 0.51 20 0.64 0.51 0.49 1.000 13 .014 67 0.03 -0.05 -0.06 0.48 0.30 0.20 5.4669 2 75 0.46 18 0.64 0.51 0.49 1.000 14 .015 72 -0.02 0.04 0.05 0.50 0.39 0.21 6.262 2 71 0.48 20 0.64 0.51 0.49 1.000 15 .016 65 0.05 0.01 0.04 0.55 0.39 0.22 8.4761 2 75 0.49 17 0.64 0.51 0.49 1.000 16 .017 76 -0.05 -0.00 0.00 0.56 0.47 0.22 5.9764 2 62 0.50 19 0.64 0.51 0.49 1.000 17 .018 70 -0.07 0.02 0.03 0.56 0.33 0.18 9.0323 2 61 0.48 20 0.64 0.51 0.49 1.000 18 .019 71 -0.01 0.04 -0.01 0.43 0.36 0.21 9.4936 2 62 0.50 19 0.64 0.51 0.49 1.000 19 .020 66 -0.11 0.02 0.00 0.50 0.45 0.21 9.5262 2 74 0.48 18 0.64 0.51 0.49 1.000 Background pixels updated = 84.17% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 20 .021 65 0.06 -0.09 -0.02 0.45 0.38 0.22 6.9966 2 60 0.50 17 0.64 0.51 0.49 1.000 21 .022 59 -0.04 -0.07 -0.01 0.48 0.40 0.19 7.6537 2 66 0.48 18 0.64 0.51 0.49 1.000 22 .023 59 -0.01 0.02 -0.01 0.52 0.55 0.20 5.9713 2 69 0.46 19 0.64 0.51 0.49 1.000 23 .024 66 -0.07 0.02 0.07 0.41 0.43 0.22 5.8491 2 64 0.43 19 0.64 0.51 0.49 1.000 24 .025 69 0.03 0.03 -0.02 0.46 0.41 0.23 5.5091 2 70 0.45 19 0.64 0.51 0.49 1.000 25 .026 69 -0.04 0.00 0.02 0.41 0.34 0.19 6.3442 2 65 0.48 17 0.64 0.51 0.49 1.000 26 .027 59 -0.10 0.07 -0.02 0.44 0.37 0.19 11.344 3 59 0.52 19 0.64 0.51 0.49 1.000 27 .028 71 -0.08 0.02 -0.02 0.64 0.41 0.20 11.63 3 56 0.55 19 0.64 0.51 0.49 1.000 28 .029 73 -0.13 -0.01 -0.01 0.41 0.33 0.18 8.9709 3 60 0.51 18 0.64 0.51 0.49 1.000 29 .030 68 -0.07 -0.00 -0.06 0.44 0.36 0.19 12.664 3 53 0.51 18 0.64 0.51 0.49 1.000 30 .031 77 -0.08 0.09 0.03 0.47 0.42 0.21 12.683 2 66 0.48 18 0.64 0.51 0.49 1.000 31 .032 69 -0.01 -0.04 -0.01 0.42 0.39 0.21 6.4477 2 65 0.50 18 0.64 0.51 0.49 1.000 32 .033 72 -0.09 0.06 -0.04 0.41 0.35 0.20 8.359 3 67 0.50 18 0.64 0.51 0.49 1.000 33 .034 64 -0.14 0.02 0.03 0.51 0.42 0.21 9.4589 2 70 0.49 19 0.64 0.51 0.49 1.000 34 .035 62 -0.04 -0.06 0.04 0.50 0.49 0.19 8.2733 2 61 0.49 19 0.64 0.51 0.49 1.000 35 .036 71 0.03 0.04 0.01 0.47 0.46 0.19 7.8635 2 69 0.49 19 0.64 0.51 0.49 1.000 36 .037 60 -0.01 0.01 0.01 0.45 0.36 0.18 5.569 1 77 0.44 17 0.64 0.51 0.49 1.000 37 .038 74 0.01 0.01 -0.03 0.50 0.35 0.24 7.9924 2 59 0.53 20 0.64 0.51 0.49 1.000 38 .039 61 0.07 -0.03 0.02 0.53 0.37 0.21 6.1186 2 66 0.47 19 0.64 0.51 0.49 1.000 39 .040 50 -0.03 0.07 0.03 0.55 0.38 0.21 15.813 3 54 0.51 19 0.64 0.51 0.49 1.000 Background pixels updated = 81.71% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 40 .041 76 0.01 -0.03 0.03 0.43 0.32 0.19 8.5007 2 53 0.51 19 0.64 0.51 0.49 1.000 41 .042 67 -0.12 0.08 -0.01 0.52 0.39 0.22 5.6237 2 72 0.44 18 0.64 0.51 0.49 1.000 42 .043 72 -0.09 -0.01 -0.01 0.54 0.47 0.21 10.322 2 67 0.54 19 0.64 0.51 0.49 1.000 43 .044 68 -0.04 0.06 -0.00 0.39 0.39 0.23 8.4847 2 68 0.47 18 0.64 0.51 0.49 1.000 44 .045 73 -0.03 0.04 -0.02 0.48 0.48 0.21 4.6074 1 68 0.45 18 0.64 0.51 0.49 1.000 45 .046 68 0.00 0.05 0.02 0.45 0.43 0.17 8.0371 2 62 0.52 18 0.64 0.51 0.49 1.000 46 .047 75 -0.07 0.03 -0.06 0.64 0.29 0.18 14.537 3 59 0.53 19 0.64 0.51 0.49 1.000 47 .048 57 -0.07 0.02 -0.05 0.45 0.47 0.22 7.0493 2 54 0.54 18 0.64 0.51 0.49 1.000 48 .049 79 -0.08 -0.07 0.01 0.73 0.48 0.21 10.113 3 51 0.55 19 0.64 0.51 0.49 1.000 49 .050 68 -0.09 0.06 0.01 0.77 0.55 0.18 8.9079 2 59 0.49 18 0.64 0.51 0.49 1.000 Orientation least squares, component 1 (109 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 109 0 109 7.4789 1.2311 5.447 33.556 A B C Alpha Beta Gamma Vol 23.4805 25.8531 24.2882 90.000 105.350 90.000 14218.03 0.0185 0.0307 0.0150 0.000 0.018 0.000 34.44 Corrected for goodness of fit: 0.0174 0.0288 0.0141 0.000 0.017 0.000 32.33 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.265 152.329 67.487 Goniometer zeros (deg): 0.0000 0.0434 0.0000 0.1179 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.461 0.569 0.038 0.178 0.613 -0.027 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 3.07614e+002 2.74941e+002 0.94 3 0 Background pixels updated = 84.12% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 50 .051 71 -0.13 -0.05 0.01 0.42 0.37 0.23 5.2058 2 73 0.49 19 0.64 0.51 0.49 1.000 51 .052 73 -0.09 -0.05 0.01 0.45 0.40 0.20 9.278 2 71 0.51 18 0.64 0.51 0.49 1.000 52 .053 62 0.00 -0.08 -0.01 0.39 0.38 0.19 5.5619 1 76 0.43 19 0.64 0.51 0.49 1.000 53 .054 59 -0.06 -0.00 0.02 0.51 0.40 0.18 5.8562 2 64 0.51 17 0.64 0.51 0.49 1.000 54 .055 65 -0.13 0.07 -0.02 0.45 0.41 0.20 11.145 2 68 0.49 19 0.64 0.51 0.49 1.000 55 .056 65 -0.06 -0.03 -0.01 0.47 0.38 0.17 7.0063 2 63 0.47 19 0.64 0.51 0.49 1.000 56 .057 66 -0.13 0.12 0.04 0.45 0.46 0.19 12.007 2 58 0.53 17 0.64 0.51 0.49 1.000 57 .058 68 -0.15 0.12 0.05 0.60 0.50 0.20 4.8981 2 66 0.46 19 0.64 0.51 0.49 1.000 58 .059 77 0.05 -0.08 0.01 0.45 0.37 0.19 6.0747 2 58 0.49 19 0.64 0.51 0.49 1.000 59 .060 65 -0.04 0.03 -0.01 0.43 0.36 0.18 10.491 2 62 0.53 17 0.64 0.51 0.49 1.000 Background pixels updated = 84.04% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 60 .061 80 -0.18 0.12 -0.03 0.68 0.73 0.22 13.328 2 68 0.43 18 0.64 0.51 0.49 1.000 61 .062 47 -0.06 0.05 -0.02 0.57 0.59 0.21 5.0929 2 72 0.46 19 0.64 0.51 0.49 1.000 62 .063 64 -0.01 -0.01 -0.02 0.50 0.43 0.18 10.273 3 69 0.54 19 0.64 0.51 0.49 1.000 63 .064 71 -0.20 -0.01 0.00 0.65 0.37 0.19 4.8286 2 65 0.50 18 0.64 0.51 0.49 1.000 64 .065 87 -0.19 0.08 0.02 0.80 0.44 0.21 8.0726 2 60 0.54 20 0.64 0.51 0.49 1.000 65 .066 69 -0.08 0.03 -0.04 0.47 0.45 0.20 12.572 2 84 0.41 19 0.64 0.51 0.49 1.000 66 .067 68 -0.14 -0.02 -0.01 0.72 0.42 0.20 7.9628 2 63 0.51 19 0.64 0.51 0.49 1.000 67 .068 56 -0.12 0.00 -0.02 0.75 0.40 0.22 7.2667 2 63 0.54 19 0.64 0.51 0.49 1.000 68 .069 72 -0.02 -0.11 -0.02 0.47 0.43 0.20 5.6604 2 47 0.55 18 0.64 0.51 0.49 1.000 69 .070 77 -0.03 0.03 -0.02 0.51 0.35 0.19 11.17 3 64 0.52 18 0.64 0.51 0.49 1.000 70 .071 69 -0.07 0.06 -0.01 0.43 0.36 0.21 7.1719 2 74 0.47 19 0.64 0.51 0.49 1.000 71 .072 59 -0.14 0.09 0.04 0.55 0.43 0.19 6.9087 2 68 0.45 19 0.64 0.51 0.49 1.000 72 .073 67 -0.03 0.07 -0.02 0.45 0.33 0.20 8.1818 2 61 0.52 18 0.64 0.51 0.49 1.000 73 .074 76 -0.13 -0.02 -0.03 0.46 0.41 0.21 6.598 2 75 0.50 19 0.64 0.51 0.49 1.000 74 .075 69 -0.05 0.05 -0.02 0.55 0.56 0.21 7.0139 2 71 0.46 19 0.64 0.51 0.49 1.000 75 .076 71 -0.03 0.05 -0.02 0.45 0.35 0.19 7.9212 2 63 0.50 19 0.64 0.51 0.49 1.000 76 .077 65 -0.01 0.02 0.01 0.52 0.40 0.19 5.1757 2 65 0.49 18 0.64 0.51 0.49 1.000 77 .078 67 -0.15 -0.01 -0.04 0.59 0.43 0.22 7.3032 2 66 0.47 20 0.64 0.51 0.49 1.000 78 .079 64 -0.08 0.05 0.03 0.70 0.54 0.20 12.032 2 63 0.52 20 0.64 0.51 0.49 1.000 79 .080 69 -0.07 0.06 -0.02 0.54 0.45 0.22 5.7686 2 70 0.50 19 0.64 0.51 0.49 1.000 Background pixels updated = 83.18% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 80 .081 72 -0.02 0.00 -0.05 0.63 0.41 0.20 8.2505 2 71 0.46 20 0.64 0.51 0.49 1.000 81 .082 74 -0.11 -0.04 0.07 0.56 0.50 0.20 6.1788 2 70 0.48 20 0.64 0.51 0.49 1.000 82 .083 64 -0.12 0.07 0.03 0.61 0.42 0.25 6.7054 2 70 0.50 18 0.64 0.51 0.49 1.000 83 .084 77 -0.09 0.04 0.03 0.44 0.37 0.19 9.7218 3 49 0.56 19 0.64 0.51 0.49 1.000 84 .085 57 -0.07 -0.00 -0.03 0.49 0.37 0.22 6.5735 2 60 0.50 18 0.64 0.51 0.49 1.000 85 .086 80 -0.03 0.05 -0.00 0.42 0.37 0.18 7.0255 2 59 0.52 18 0.64 0.51 0.49 1.000 86 .087 71 0.08 0.03 -0.00 0.47 0.37 0.20 9.7414 3 63 0.49 19 0.64 0.51 0.49 1.000 87 .088 51 -0.15 0.13 0.01 0.76 1.01 0.26 15.551 3 67 0.47 18 0.64 0.51 0.49 1.000 88 .089 66 -0.21 -0.03 0.02 0.59 0.47 0.21 3.7021 1 68 0.46 19 0.64 0.51 0.49 1.000 89 .090 66 -0.07 0.09 0.03 0.46 0.51 0.20 3.8373 1 68 0.45 18 0.64 0.51 0.49 1.000 90 .091 69 -0.09 0.15 -0.02 0.59 0.44 0.19 8.2808 2 58 0.51 18 0.64 0.51 0.49 1.000 91 .092 79 -0.10 -0.02 0.00 0.58 0.45 0.17 7.974 2 53 0.50 19 0.64 0.51 0.49 1.000 92 .093 70 -0.19 0.00 0.05 0.64 0.39 0.21 13.031 3 63 0.48 18 0.64 0.51 0.49 1.000 93 .094 62 -0.17 0.08 0.02 0.59 0.43 0.21 8.1843 2 63 0.50 17 0.64 0.51 0.49 1.000 94 .095 77 -0.09 0.04 -0.02 0.52 0.41 0.18 5.7004 2 62 0.49 20 0.64 0.51 0.49 1.000 95 .096 58 -0.11 0.07 -0.06 0.68 0.40 0.21 3.2288 1 71 0.43 20 0.64 0.51 0.49 1.000 96 .097 74 -0.01 0.02 -0.02 0.40 0.37 0.19 12.591 3 64 0.55 18 0.64 0.51 0.49 1.000 97 .098 70 -0.08 -0.01 0.04 0.45 0.37 0.17 7.0453 2 59 0.50 19 0.64 0.51 0.49 1.000 98 .099 64 -0.09 -0.01 -0.00 0.49 0.46 0.21 5.6881 2 59 0.48 20 0.64 0.51 0.49 1.000 99 .100 57 0.00 0.04 -0.01 0.54 0.44 0.22 6.8108 2 63 0.51 18 0.64 0.51 0.49 1.000 Orientation least squares, component 1 (212 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 212 0 212 7.4807 1.2314 5.446 33.546 A B C Alpha Beta Gamma Vol 23.4849 25.8760 24.2954 90.000 105.342 90.000 14238.03 0.0125 0.0171 0.0102 0.000 0.013 0.000 21.77 Corrected for goodness of fit: 0.0124 0.0171 0.0101 0.000 0.013 0.000 21.72 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.320 152.317 67.525 Goniometer zeros (deg): 0.0000 0.0231 0.0000 0.0830 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.423 0.707 0.041 0.160 0.587 0.011 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 6.64886e+002 6.18173e+002 1.00 25 1 BG snapshot written to C:\frames\klat083\work\bgsnap04.000 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999821; Maximum = 0.0231531 !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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 3 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1 4 4 3 1 0 0 0 1 5 11 13 10 4 1 0 0 0 1 1 1 1 0 0 0 0 1 4 9 11 7 3 0 0 1 3 11 25 32 23 9 3 0 0 0 1 2 3 1 0 0 0 0 1 6 12 15 10 4 0 0 1 4 15 34 43 31 12 3 0 0 0 1 1 2 1 0 0 0 0 1 5 9 11 8 3 0 0 1 4 12 26 33 24 10 3 0 0 0 1 1 1 0 0 0 0 0 1 2 4 5 4 1 0 0 1 2 6 11 14 11 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 !Averaged profile: Section 4->6 0 0 0 1 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 1 3 5 6 5 3 1 0 0 1 3 6 8 7 4 1 0 0 1 3 5 7 6 3 1 0 1 3 9 20 25 19 9 3 0 1 4 11 24 32 25 11 4 1 1 3 8 19 26 21 10 3 1 1 6 20 46 60 45 19 5 1 1 7 24 55 75 57 25 7 1 1 5 18 43 61 48 21 6 1 1 8 27 61 81 60 25 6 1 2 9 31 73100 77 33 8 2 1 7 24 57 81 64 28 7 1 1 6 21 46 61 46 20 5 1 1 7 24 55 75 58 25 7 1 1 5 18 43 61 48 21 6 1 1 4 10 20 26 20 9 3 0 1 4 11 24 32 25 12 4 1 0 3 9 19 26 21 10 3 1 1 1 3 6 7 6 3 1 0 1 1 4 7 9 7 4 1 0 0 1 3 5 7 6 3 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 1 1 1 0 0 0 !Averaged profile: Section 7->9 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 10 14 11 6 1 1 0 0 1 3 5 4 1 1 0 0 0 0 0 1 1 0 0 0 0 3 9 22 32 26 12 3 1 0 1 3 7 10 9 4 1 0 0 0 0 1 1 1 1 0 0 0 3 12 29 42 35 15 4 1 0 1 4 9 14 12 6 1 0 0 0 0 1 2 2 1 0 0 0 3 9 22 32 26 12 3 1 0 0 3 7 11 9 4 1 0 0 0 0 1 1 1 1 0 0 0 1 4 10 14 11 5 1 0 0 0 1 3 5 4 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Background pixels updated = 82.95% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 100 .101 67 0.00 0.03 0.02 0.47 0.45 0.23 4.9736 2 66 0.48 17 0.64 0.51 0.49 1.000 101 .102 74 -0.15 -0.00 0.04 0.49 0.44 0.21 6.3084 2 70 0.47 18 0.64 0.51 0.49 1.000 102 .103 64 -0.18 0.03 -0.03 0.51 0.34 0.19 11.05 2 70 0.50 18 0.64 0.51 0.49 1.000 103 .104 79 -0.04 0.05 -0.00 0.52 0.37 0.20 5.6293 2 62 0.48 20 0.64 0.51 0.49 1.000 104 .105 71 -0.09 0.01 -0.01 0.54 0.44 0.19 7.133 2 66 0.51 19 0.64 0.51 0.49 1.000 105 .106 62 -0.15 0.05 0.05 0.64 0.42 0.20 5.9776 2 76 0.44 17 0.64 0.51 0.49 1.000 106 .107 70 -0.11 0.13 0.00 0.67 0.46 0.19 6.4205 2 67 0.52 20 0.64 0.51 0.49 1.000 107 .108 69 -0.09 -0.08 -0.01 0.68 0.39 0.21 18.743 3 71 0.48 19 0.64 0.51 0.49 1.000 108 .109 75 -0.11 -0.11 -0.01 0.50 0.38 0.19 12.034 3 63 0.56 18 0.64 0.51 0.49 1.000 109 .110 71 -0.10 -0.03 0.03 0.51 0.50 0.20 6.7373 2 65 0.49 17 0.64 0.51 0.49 1.000 110 .111 68 -0.05 0.08 0.04 0.44 0.40 0.19 6.8115 2 59 0.51 19 0.64 0.51 0.49 1.000 111 .112 58 -0.12 0.00 0.05 0.47 0.33 0.20 3.2508 1 74 0.45 18 0.64 0.51 0.49 1.000 112 .113 67 -0.10 -0.00 0.00 0.48 0.33 0.17 8.7669 2 64 0.51 17 0.64 0.51 0.49 1.000 113 .114 63 -0.08 0.06 -0.06 0.47 0.38 0.19 8.0859 2 67 0.47 18 0.64 0.51 0.49 1.000 114 .115 72 -0.13 0.08 0.03 0.62 0.43 0.20 7.3593 2 63 0.52 19 0.64 0.51 0.49 1.000 115 .116 75 -0.09 0.05 0.02 0.60 0.46 0.25 12.757 2 75 0.47 19 0.64 0.51 0.49 1.000 116 .117 72 -0.05 0.03 -0.00 0.63 0.38 0.22 8.5999 2 72 0.47 20 0.64 0.51 0.49 1.000 117 .118 64 -0.04 -0.10 0.02 0.52 0.47 0.23 9.6638 3 61 0.45 19 0.64 0.51 0.49 1.000 118 .119 71 -0.07 0.06 0.01 0.47 0.36 0.18 9.4202 3 65 0.49 19 0.64 0.51 0.49 1.000 119 .120 59 -0.07 0.04 -0.02 0.51 0.51 0.21 8.0002 2 64 0.50 18 0.64 0.51 0.49 1.000 Background pixels updated = 82.37% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 120 .121 66 -0.05 -0.01 0.00 0.41 0.32 0.19 6.4376 2 68 0.48 19 0.64 0.51 0.49 1.000 121 .122 79 -0.00 -0.06 -0.02 0.50 0.34 0.18 10.222 3 63 0.47 19 0.64 0.51 0.49 1.000 122 .123 72 -0.06 0.01 -0.02 0.41 0.39 0.22 17.329 3 61 0.56 19 0.64 0.51 0.49 1.000 123 .124 70 -0.16 -0.01 -0.03 0.89 0.73 0.22 7.1878 2 59 0.51 19 0.64 0.51 0.49 1.000 124 .125 64 -0.05 0.08 -0.02 0.39 0.35 0.19 5.2789 2 59 0.47 20 0.64 0.51 0.49 1.000 125 .126 68 -0.08 0.05 0.01 0.38 0.35 0.22 6.3316 2 66 0.47 19 0.64 0.51 0.49 1.000 126 .127 67 -0.08 0.09 -0.02 0.71 0.38 0.20 21.542 3 60 0.47 17 0.64 0.51 0.49 1.000 127 .128 71 -0.08 -0.08 -0.02 0.51 0.47 0.22 6.5597 2 63 0.42 18 0.64 0.51 0.49 1.000 128 .129 61 -0.23 0.02 0.05 0.72 0.34 0.20 10.499 3 59 0.53 19 0.64 0.51 0.49 1.000 129 .130 72 -0.02 0.08 -0.03 0.48 0.46 0.20 5.7708 2 63 0.48 16 0.64 0.51 0.49 1.000 130 .131 66 -0.14 0.03 0.04 0.56 0.36 0.22 7.8036 2 59 0.54 18 0.64 0.51 0.49 1.000 131 .132 69 -0.15 -0.06 -0.00 0.60 0.37 0.21 7.6737 3 68 0.49 19 0.64 0.51 0.49 1.000 132 .133 67 -0.16 -0.07 0.00 0.77 0.85 0.22 5.507 2 70 0.44 19 0.64 0.51 0.49 1.000 133 .134 62 -0.11 -0.04 -0.03 0.61 0.38 0.20 7.9839 2 73 0.46 20 0.64 0.51 0.49 1.000 134 .135 75 -0.10 0.05 -0.00 0.49 0.40 0.20 3.9199 1 73 0.47 20 0.64 0.51 0.49 1.000 135 .136 72 -0.08 0.06 -0.02 0.69 0.37 0.21 8.3819 2 67 0.47 19 0.64 0.51 0.49 1.000 136 .137 72 -0.10 -0.01 -0.01 0.69 0.42 0.19 6.2898 2 68 0.50 17 0.64 0.51 0.49 1.000 137 .138 77 -0.20 -0.01 -0.01 0.56 0.30 0.23 7.4396 2 66 0.48 19 0.64 0.51 0.49 1.000 138 .139 60 -0.12 0.05 -0.01 0.63 0.31 0.21 7.4081 2 67 0.50 18 0.64 0.51 0.49 1.000 139 .140 55 -0.15 -0.02 -0.01 0.58 0.38 0.21 9.2421 3 47 0.54 17 0.64 0.51 0.49 1.000 Background pixels updated = 84.06% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 140 .141 61 -0.07 -0.10 -0.04 0.63 0.48 0.18 8.8073 2 54 0.51 18 0.64 0.51 0.49 1.000 141 .142 82 -0.09 -0.14 -0.02 0.89 0.81 0.22 6.2567 2 65 0.48 19 0.64 0.51 0.49 1.000 142 .143 57 -0.11 0.05 -0.00 0.40 0.40 0.21 7.8661 2 65 0.51 19 0.64 0.51 0.49 1.000 143 .144 81 -0.07 0.01 -0.01 0.56 0.37 0.20 7.7644 2 56 0.55 18 0.64 0.51 0.49 1.000 144 .145 73 -0.06 -0.00 -0.01 0.43 0.39 0.19 6.8208 2 66 0.48 18 0.64 0.51 0.49 1.000 145 .146 72 -0.16 0.03 0.01 0.69 0.47 0.19 5.2206 2 67 0.47 20 0.64 0.51 0.49 1.000 146 .147 57 -0.13 -0.05 -0.01 0.72 0.47 0.22 8.9134 3 61 0.53 19 0.64 0.51 0.49 1.000 147 .148 75 -0.09 0.01 -0.04 0.53 0.35 0.20 9.4956 3 59 0.51 18 0.64 0.51 0.49 1.000 148 .149 65 -0.09 -0.03 -0.02 0.55 0.40 0.18 19.847 3 69 0.51 18 0.64 0.51 0.49 1.000 149 .150 66 -0.14 -0.02 -0.02 0.73 0.46 0.23 6.4033 2 64 0.48 19 0.64 0.51 0.49 1.000 Orientation least squares, component 1 (321 input reflections)... Wavelength, relative uncertainty: 0.7107300, 0.0000089 Reflection Summary: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1 321 0 321 7.4807 1.2318 5.446 33.535 A B C Alpha Beta Gamma Vol 23.4835 25.8888 24.3040 90.000 105.345 90.000 14249.15 0.0092 0.0115 0.0075 0.000 0.010 0.000 15.44 Corrected for goodness of fit: 0.0100 0.0125 0.0081 0.000 0.011 0.000 16.84 Crystal system constraint: 3(Monoclinic B-uniq) Parameter constraint mask: 512 Eulerian angles: -49.350 152.344 67.548 Goniometer zeros (deg): 0.0000 0.0329 0.0000 0.0473 Crystal translations (pixels): 0.0000 0.0000 0.0000 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.435 0.977 0.040 0.174 0.538 -0.063 Refinement statistics: StartingRes FinalRes GOF #Cycles Code 1.30534e+003 1.12738e+003 1.09 4 0 Background pixels updated = 84.16% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 150 .151 57 -0.04 -0.01 0.01 0.56 0.58 0.19 8.2506 2 63 0.53 19 0.64 0.51 0.49 1.000 151 .152 80 -0.01 -0.02 -0.00 0.44 0.46 0.21 5.2269 2 68 0.49 20 0.64 0.51 0.49 1.000 152 .153 70 -0.16 -0.00 -0.02 0.53 0.35 0.19 10.644 3 66 0.49 20 0.64 0.51 0.49 1.000 153 .154 68 -0.13 0.02 -0.00 0.55 0.37 0.23 5.0796 2 69 0.44 19 0.64 0.51 0.49 1.000 154 .155 78 -0.21 -0.04 -0.01 0.59 0.38 0.20 9.0439 2 65 0.53 19 0.64 0.51 0.49 1.000 155 .156 69 -0.13 0.02 0.03 0.75 0.43 0.21 5.4034 2 70 0.46 20 0.64 0.51 0.49 1.000 156 .157 69 -0.09 -0.03 -0.03 0.66 0.41 0.19 5.8392 2 67 0.51 18 0.64 0.51 0.49 1.000 157 .158 53 -0.07 -0.01 -0.04 0.34 0.36 0.21 9.409 3 70 0.52 17 0.64 0.51 0.49 1.000 158 .159 73 -0.03 0.03 -0.03 0.49 0.44 0.19 6.2936 2 71 0.49 18 0.64 0.51 0.49 1.000 159 .160 68 -0.04 -0.03 0.01 0.48 0.37 0.20 8.9604 2 69 0.54 20 0.64 0.51 0.49 1.000 Background pixels updated = 83.35% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 160 .161 76 -0.19 -0.02 0.03 0.57 0.41 0.19 8.1907 2 68 0.50 17 0.64 0.51 0.49 1.000 161 .162 60 -0.06 0.05 -0.02 0.56 0.45 0.19 4.3567 2 75 0.44 19 0.64 0.51 0.49 1.000 162 .163 82 -0.13 -0.00 0.01 0.59 0.44 0.18 9.1051 2 61 0.52 19 0.64 0.51 0.49 1.000 163 .164 67 -0.18 -0.03 -0.01 0.60 0.39 0.20 4.4899 2 66 0.48 19 0.64 0.51 0.49 1.000 164 .165 70 -0.13 0.03 -0.02 0.68 0.49 0.20 6.9649 2 61 0.49 19 0.64 0.51 0.49 1.000 165 .166 60 -0.02 -0.04 -0.04 0.40 0.36 0.21 5.8602 2 63 0.51 18 0.64 0.51 0.49 1.000 166 .167 76 -0.16 0.11 0.01 0.50 0.50 0.21 9.028 2 59 0.54 17 0.64 0.51 0.49 1.000 167 .168 66 -0.04 0.04 -0.01 0.45 0.46 0.20 6.8422 2 70 0.47 20 0.64 0.51 0.49 1.000 168 .169 65 -0.04 0.07 -0.06 0.55 0.34 0.21 6.2165 2 75 0.45 19 0.64 0.51 0.49 1.000 169 .170 64 -0.10 -0.00 -0.05 0.48 0.42 0.22 7.8355 2 69 0.49 18 0.64 0.51 0.49 1.000 170 .171 66 -0.03 0.06 0.01 0.53 0.46 0.21 5.7393 2 70 0.49 19 0.64 0.51 0.49 1.000 171 .172 73 -0.12 0.05 0.02 0.66 0.36 0.18 4.3357 1 74 0.45 18 0.64 0.51 0.49 1.000 172 .173 72 -0.19 0.07 -0.01 0.64 0.42 0.19 7.6438 2 58 0.52 19 0.64 0.51 0.49 1.000 173 .174 69 -0.10 0.01 -0.01 0.47 0.35 0.17 8.8797 2 65 0.50 18 0.64 0.51 0.49 1.000 FRQ:711 Exception reading frame C:\frames\klat083\klat0834.182: FRA:1658 No such file or directory: C:\frames\klat083\klat0834.182 174 .175 67 -0.10 0.04 -0.04 0.46 0.35 0.19 6.6512 2 64 0.52 19 0.64 0.51 0.49 1.000 175 .176 73 -0.10 0.09 0.02 0.49 0.43 0.21 7.3784 2 64 0.46 19 0.64 0.51 0.49 1.000 176 .177 75 -0.12 0.05 0.01 0.54 0.39 0.19 4.5756 2 68 0.45 20 0.64 0.51 0.49 1.000 177 .178 56 -0.10 0.03 0.01 0.52 0.44 0.22 7.3031 2 68 0.51 18 0.64 0.51 0.49 1.000 178 .179 55 -0.15 0.04 -0.00 0.55 0.43 0.21 26.212 3 73 0.44 16 0.64 0.51 0.49 1.000 179 .180 13 0.06 0.02 -0.12 0.43 0.62 0.14 3.5233 1 77 0.44 13 0.64 0.51 0.49 1.000 Background pixels updated = 82.62% klat083 # File #Ref ErrX ErrY ErrZ RmsX RmsY RmsZ Inorm #Sig %<2s %Ful XSiz YSiz ZSiz Beam 180 .181 0 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 0.00 0 0.64 0.51 0.49 1.000 No more frames: C:\frames\klat083\klat0834.182 : Profile average over all regions Fractional threshold = 0.05 Blend = F Averaged profile Sum = 0.999952; Maximum = 0.0232926 !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 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 1 1 3 4 3 1 1 0 0 0 0 1 1 0 0 0 0 0 1 1 4 5 3 1 0 0 0 1 5 11 14 10 5 1 0 0 0 1 1 2 1 0 0 0 0 1 4 9 11 8 3 1 0 1 3 11 25 33 25 11 3 0 0 0 1 2 3 1 1 0 0 0 1 6 12 16 11 4 1 0 1 4 15 35 45 33 14 3 0 0 0 1 2 2 1 0 0 0 0 1 5 10 12 8 3 1 0 1 4 12 27 34 25 10 3 0 0 0 0 1 1 0 0 0 0 0 1 2 4 5 4 1 0 0 1 2 6 12 15 11 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 2 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 !Averaged profile: Section 4->6 0 0 0 1 1 1 1 0 0 0 0 0 1 2 1 1 0 0 0 0 0 1 1 1 1 0 0 0 1 3 5 7 5 3 1 0 0 1 3 6 8 7 4 1 0 0 1 2 5 6 5 3 1 0 1 3 9 19 25 20 9 3 0 1 3 10 22 31 25 12 4 1 1 3 8 17 24 20 10 3 1 1 6 20 45 61 47 20 5 0 1 7 23 53 74 58 26 7 1 1 5 17 40 57 47 21 6 1 1 7 26 61 83 63 27 7 0 2 8 31 72100 78 34 9 1 1 6 23 55 78 63 28 7 1 1 6 21 47 63 47 20 5 0 1 7 24 56 76 59 26 7 1 1 5 18 43 60 48 21 6 1 1 4 10 21 27 20 9 3 0 1 4 11 25 33 25 12 3 0 0 3 9 19 26 21 10 3 0 1 1 3 6 7 6 3 1 0 0 1 4 7 9 7 3 1 0 0 1 3 5 7 6 3 1 0 0 1 1 1 1 1 0 0 0 0 1 1 1 2 1 0 0 0 0 0 1 1 1 1 0 0 0 !Averaged profile: Section 7->9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 8 12 10 5 1 0 0 0 0 3 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 8 20 29 24 12 3 1 0 0 2 6 9 8 4 1 0 0 0 0 0 1 1 1 0 0 0 3 11 27 40 33 15 4 1 0 0 3 8 12 11 5 1 0 0 0 0 1 2 1 1 0 0 0 3 9 21 31 25 12 3 0 0 0 3 7 10 8 4 1 0 0 0 0 1 1 1 1 0 0 0 1 4 10 13 11 5 1 0 0 0 1 3 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 4 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Overall Integration Statistics Total spots predicted: 14149 # Outside active pixel mask or within 5 pixels of frame edge: 1728 # Outside frame limits: 282 # Outside resolution limit: 0 # with absolute HKL > 511: 0 # Below worst I/sigma threshold: 54 # 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(klat0834.001) Maximum pixel ceiling(frame): 1677696(klat0834.001) # Exceeding frame queue size: 6 # with too many components: 0 # Left in Write-Behind Cache: 0 # Good spots written: 12079 # HKLs (components) written: 12079 Twin overlaps written: 0 Twin partial overlaps written: 0 Number excl. partial overlaps (these are the spots used in the stats below): 12079 # 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: 8.18 Average I/sigma: 3.027 % over "strong" threshold: 3.56 % less than 2 sigma: 64.85 % which spanned more than 1 frame: 71.69 Average X,Y,Z positional errors: -0.08 0.01 0.00 RMS X,Y,Z positional errors: 0.55 0.43 0.20 % X,Y,Z more than 0.5 pixel: 26.63 19.37 0.75 % X,Y,Z more than 1 pixel: 5.00 2.08 0.01 Avg % profile volume populated: 100.00 Avg % profile volume integrated: 37.01 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: 5.31 Max profile % on Y boundaries: 5.20 Max profile % on Z boundaries: 4.83 Number of filled spots: 0 Average fraction filled: 0.0000 Average spot shape correlation: 0.302 RMS spot shape correlation: 0.494 Profile Shape Correlation I/sigma from to Correl +/- # 0.00 1.00 0.23 0.230 4953 1.00 2.00 0.38 0.230 2879 2.00 4.00 0.61 0.264 2779 4.00 8.00 0.87 0.172 856 8.00 16.00 0.97 0.060 428 16.00 32.00 0.99 0.003 152 32.00 64.00 1.00 0.002 27 64.00 128.00 0.99 0.004 5 128.00 256.00 0.00 0.000 0 Total integration time (sec): 31.316 Total time in cell LS (sec): 1.336 Per-frame integration time (sec): 0.164 Integration completed normally ======================== 04/06/05 10:44:08 Applying profile correlation filter from C:\frames\klat083\work\unsorted.raw to C:\frames\klat083\work\corrfilt.raw Scale of 1.303 will be applied to LS-fit intensities Number of reflections read = 12079 # Rejected due to poor spot shape; # written: 6 12073 Number of LS-fit intensities scaled: 11472 Sorting Reflection File ============================== 04/06/05 10:44:08 klat083 Sorting input files: C:\frames\klat083\work\corrfilt.raw Sorting to output file C:\frames\klat083\work\klat0834.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 12073 reflections read from C:\frames\klat083\work\corrfilt.raw 12073 reflections written to C:\frames\klat083\work\klat0834.raw Computing Reflection File Statistics ========== 04/06/05 10:44:09 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\klat0834.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\klat0834.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of spots read from file = 12073 Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 38 1 37 2 13.2 64.691 36.56 1.86 0.017 0.000 0.2 0.000 0.033 0.00-.05 .06-.03 .20 .23 .18 32.000 148 7 143 12 18.9 53.140 22.93 2.16 0.059 0.000 0.6 0.000 0.120 0.00 .04 .02-.04 .27 .34 .20 64.000 251 23 233 45 21.9 47.428 15.77 2.37 0.025 0.000 0.4 0.000 0.051 0.00-.00-.02-.03 .26 .27 .17 96.000 356 60 318 106 25.0 34.805 10.45 2.25 0.035 0.002 0.4 0.000 0.076 0.00 .00-.01-.03 .28 .28 .18 128.000 485 118 415 212 30.1 26.151 7.22 2.14 0.052 -0.001 0.4 0.000 0.106 0.00-.06 .02-.02 .33 .33 .18 160.000 608 172 512 314 36.8 19.206 5.02 2.08 0.078 0.004 0.4 0.000 0.165 0.00-.02 .01-.01 .35 .34 .17 192.000 722 198 610 379 48.5 12.779 3.28 2.04 0.129 0.004 0.5 0.000 0.260 0.00-.00 .02-.01 .36 .38 .19 224.000 862 218 729 437 57.0 10.257 2.51 2.01 0.167 0.006 0.5 0.000 0.345 0.00-.04 .00 .00 .41 .36 .20 256.000 962 215 825 444 68.8 6.810 1.77 1.93 0.235 -0.016 0.5 0.000 0.433 0.00-.09 .02 .01 .43 .42 .20 288.000 1058 211 913 433 69.8 6.599 1.75 1.81 0.228 0.005 0.4 0.000 0.440 0.00-.05 .00-.01 .45 .39 .19 320.000 1136 195 995 402 70.7 5.370 1.54 1.68 0.313 -0.007 0.5 0.000 0.623 0.00-.01-.01 .00 .45 .41 .20 352.000 1182 176 1050 363 72.2 4.540 1.42 1.52 0.395 0.006 0.6 0.000 0.749 0.00-.06 .02 .00 .46 .40 .21 384.000 1200 147 1088 301 74.4 3.653 1.20 1.33 0.467 -0.005 0.7 0.000 0.854 0.00-.02 .03 .00 .48 .41 .21 416.000 1221 122 1118 257 80.6 2.640 0.86 1.13 0.561 -0.009 0.8 0.000 1.028 0.00-.02 .01-.01 .50 .41 .22 448.000 1220 98 1136 201 80.6 2.287 0.71 0.86 0.597 -0.004 0.8 0.000 1.166 0.00-.12 .01 .00 .61 .51 .22 480.000 624 26 598 66 84.6 0.690 0.20 0.49 0.778 -0.012 1.1 0.000 1.417 0.00-.77 .07 .02 1.4 .75 .22 512.000 Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 368 0 368 0 62.8 3.778 1.52 0.93 0.000 0.000 0.0 0.000 0.000 0.00-.17 .28 .00 .66 .77 .24 32.000 660 0 660 0 58.3 5.330 1.93 1.19 0.000 0.000 0.0 0.000 0.000 0.00-.12 .03-.00 .69 .45 .24 64.000 732 0 732 0 62.7 5.403 1.85 1.35 0.000 0.000 0.0 0.000 0.000 0.00-.12 .02-.01 .65 .41 .25 96.000 769 0 769 0 62.5 7.552 2.38 1.47 0.000 0.000 0.0 0.000 0.000 0.00-.13 .03 .01 .56 .42 .23 128.000 834 1 833 10 70.3 7.089 2.12 1.59 0.779 -0.001 0.5 0.000 0.883 0.00-.10-.02 .01 .61 .39 .20 160.000 861 31 838 99 68.6 9.119 2.56 1.70 0.221 0.000 0.5 0.000 0.721 0.00-.04 .02 .00 .48 .37 .18 192.000 894 88 850 231 67.9 10.523 2.92 1.75 0.139 -0.002 0.4 0.000 0.302 0.00-.03 .02-.01 .49 .39 .17 224.000 903 145 848 365 63.8 14.534 3.86 1.81 0.101 0.002 0.5 0.000 0.218 0.00-.05 .03-.00 .49 .38 .16 256.000 905 201 847 462 71.9 14.419 3.62 1.91 0.085 -0.006 0.4 0.000 0.147 0.00-.03 .01-.00 .48 .38 .15 288.000 889 226 834 494 71.8 11.142 2.86 1.88 0.146 -0.004 0.4 0.000 0.247 0.00-.04 .01-.02 .46 .37 .16 320.000 874 243 829 516 70.4 11.139 2.91 1.80 0.170 -0.006 0.5 0.000 0.297 0.00-.05 .03-.02 .46 .37 .17 352.000 828 245 786 503 65.3 10.160 2.72 1.69 0.199 -0.009 0.5 0.000 0.353 0.00-.07 .01-.01 .46 .37 .20 384.000 794 244 756 485 63.2 9.819 2.78 1.55 0.236 -0.008 0.6 0.000 0.350 0.00-.07 .02-.01 .47 .36 .23 416.000 735 230 705 397 58.2 7.732 2.32 1.42 0.270 0.011 0.7 0.000 0.518 0.00-.11-.02 .01 .59 .46 .24 448.000 662 213 634 286 56.2 7.030 2.25 1.28 0.285 0.018 0.7 0.000 0.569 0.00-.12 .00 .00 .55 .41 .24 480.000 365 120 359 126 46.3 7.316 2.55 1.00 0.259 0.066 0.9 0.000 0.532 0.00-.18-.24 .03 .82 .80 .21 512.000 Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 194 50 169 119 67.5 11.600 2.40 2.24 0.123 0.003 0.3 0.000 0.208 0.00-.08 .01 .01 .46 .41 .15 30.000 558 144 481 337 69.5 9.104 2.01 2.19 0.151 -0.009 0.3 0.000 0.288 0.00-.05 .04-.00 .44 .39 .16 60.000 909 211 799 500 68.6 10.552 2.43 2.12 0.155 -0.009 0.4 0.000 0.297 0.00-.04 .00-.02 .45 .40 .16 90.000 1220 251 1098 591 65.9 11.748 2.87 2.03 0.122 -0.006 0.4 0.000 0.228 0.00-.03 .01-.01 .45 .38 .17 120.000 1472 289 1354 605 63.9 10.878 2.96 1.91 0.135 0.000 0.5 0.000 0.260 0.00-.04 .01-.01 .43 .38 .21 150.000 1688 296 1579 590 62.1 12.258 3.60 1.76 0.112 0.000 0.6 0.000 0.209 0.00-.05 .01-.00 .43 .39 .20 180.000 1894 285 1797 519 63.9 9.966 3.25 1.56 0.212 0.001 0.6 0.000 0.358 0.00-.01 .00 .00 .44 .36 .20 210.000 1967 254 1886 406 62.0 7.364 2.56 1.26 0.295 0.003 0.8 0.000 0.507 0.00-.04 .02-.01 .46 .37 .21 240.000 1337 146 1295 218 61.9 6.971 2.38 0.99 0.447 0.011 0.9 0.000 0.776 0.00-.14 .00 .00 .60 .40 .22 270.000 834 61 806 89 76.5 2.678 0.82 0.60 0.678 0.019 1.1 0.000 1.206 0.00-.52 .05 .01 1.2 .83 .26 300.000 Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 1738 684 1220 1202 38.4 24.396 6.42 2.12 0.086 0.004 0.5 0.000 0.170 0.00-.03 .00-.02 .35 .34 .18 2.000 4314 1038 3376 2067 75.3 4.522 1.28 1.43 0.355 -0.008 0.6 0.000 0.662 0.00-.09-.01 .00 .58 .45 .20 3.000 1732 113 1619 305 41.6 20.004 5.61 2.09 0.064 -0.001 0.4 0.000 0.139 0.00-.01 .01-.01 .35 .34 .19 4.000 4289 152 4141 400 74.5 3.805 1.20 1.31 0.311 0.001 0.5 0.000 0.628 0.00-.11 .04 .00 .64 .46 .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 1771 430 1367 1011 68.7 10.109 2.27 2.15 0.149 -0.007 0.4 0.000 0.282 0.00-.05 .02-.01 .45 .39 .16 2.000 1802 169 1644 420 78.6 3.105 0.99 1.21 0.448 -0.007 0.7 0.000 0.884 0.00-.06 .03-.00 .56 .38 .18 3.000 2283 525 1879 1038 75.2 3.993 1.15 1.28 0.436 -0.007 0.7 0.000 0.811 0.00-.12-.03 .00 .64 .50 .22 4.000 1120 503 819 823 52.1 9.274 2.63 1.72 0.203 0.020 0.6 0.000 0.398 0.00-.06 .01 .00 .40 .39 .22 5.000 695 233 555 373 28.2 25.863 7.71 2.02 0.076 0.003 0.5 0.000 0.157 0.00-.04 .01-.03 .31 .30 .18 6.000 378 96 287 210 31.5 64.569 15.51 2.92 0.032 -0.001 0.4 0.000 0.062 0.00-.02-.00-.03 .32 .32 .13 7.000 698 10 688 35 31.4 19.518 6.36 1.95 0.062 0.001 0.3 0.000 0.147 0.00-.01 .02-.01 .31 .33 .20 8.000 1083 2 1081 9 58.3 6.793 2.17 1.69 0.622 -0.002 0.5 0.000 0.350 0.00-.01-.01 .00 .39 .40 .22 9.000 2243 19 2225 55 77.4 2.902 0.95 1.14 0.429 0.000 0.6 0.000 0.949 0.00-.17 .07 .00 .74 .51 .23 10.000 Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.470 605 374 605 374 60.3 10.787 2.87 1.67 0.219 0.034 0.6 0.000 0.439 0.00-.04-.01 .01 .48 .37 .20 10.325 632 354 632 370 68.4 8.869 2.43 1.71 0.232 0.028 0.5 0.000 0.449 0.00-.03 .00-.00 .51 .38 .20 19.179 577 284 577 326 63.1 9.572 2.61 1.65 0.221 0.030 0.6 0.000 0.397 0.00-.04 .00-.00 .47 .41 .20 28.033 577 245 577 312 66.0 10.205 2.78 1.66 0.173 0.015 0.6 0.000 0.302 0.00-.06 .02-.00 .46 .40 .20 36.888 605 203 605 306 62.3 10.098 2.70 1.69 0.203 0.013 0.5 0.000 0.313 0.00-.03 .03 .00 .49 .40 .21 45.743 617 154 617 296 64.2 9.507 2.65 1.63 0.191 0.002 0.6 0.000 0.249 0.00-.08-.01-.01 .56 .42 .20 54.597 583 104 583 249 64.7 9.722 2.73 1.62 0.178 0.008 0.5 0.000 0.224 0.00-.09 .04 .00 .55 .49 .19 63.451 613 95 613 265 64.8 9.438 2.76 1.58 0.183 -0.003 0.6 0.000 0.199 0.00-.10 .03-.01 .59 .41 .20 72.306 629 57 629 222 67.7 8.592 2.54 1.52 0.148 -0.009 0.5 0.000 0.174 0.00-.07 .01-.01 .56 .45 .21 81.160 589 43 589 197 62.6 9.064 2.70 1.54 0.177 -0.010 0.5 0.000 0.193 0.00-.08 .06 .01 .53 .50 .21 90.015 587 28 587 175 61.5 9.014 2.70 1.51 0.143 0.000 0.5 0.000 0.175 0.00-.10 .02 .00 .55 .41 .20 98.869 617 20 617 151 67.3 9.345 2.83 1.48 0.126 -0.015 0.5 0.000 0.143 0.00-.08 .02 .00 .56 .42 .20 107.724 608 14 608 145 67.1 9.388 2.83 1.50 0.121 -0.010 0.6 0.000 0.182 0.00-.09 .02 .01 .54 .40 .20 116.578 604 8 604 120 63.1 9.034 2.70 1.58 0.117 -0.031 0.6 0.000 0.067 0.00-.07 .00-.00 .52 .44 .21 125.433 605 4 605 109 65.6 9.643 2.86 1.60 0.157 -0.016 0.5 0.000 0.274 0.00-.11 .00-.00 .61 .47 .21 134.287 613 0 613 89 62.8 8.765 2.57 1.60 0.137 -0.016 0.5 0.000 0.000 0.00-.11-.01-.02 .65 .46 .21 143.142 595 0 595 79 63.9 10.069 2.98 1.56 0.071 -0.008 0.5 0.000 0.000 0.00-.10-.01-.01 .58 .44 .20 151.996 600 0 600 70 68.5 8.439 2.57 1.52 0.085 -0.014 0.5 0.000 0.000 0.00-.11-.01-.00 .56 .39 .20 160.851 606 0 606 65 66.0 8.110 2.49 1.51 0.072 -0.009 0.5 0.000 0.000 0.00-.11 .03-.02 .54 .43 .20 169.705 611 0 611 54 67.1 9.427 2.91 1.49 0.091 0.002 0.5 0.000 0.000 0.00-.11 .05-.00 .54 .41 .20 178.560 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 .00 140.000 771 466 770 467 62.4 10.447 2.80 1.68 0.225 0.029 0.6 0.000 0.447 0.00-.04-.01-.00 .49 .37 .20 150.000 2272 1003 2153 1238 64.7 9.602 2.61 1.67 0.205 0.022 0.6 0.000 0.359 0.00-.04 .01 .00 .49 .40 .20 160.000 2265 388 2201 971 65.0 9.494 2.72 1.60 0.174 0.000 0.6 0.000 0.216 0.00-.09 .02-.01 .56 .44 .20 170.000 2263 111 2244 648 64.3 9.016 2.71 1.51 0.146 -0.010 0.5 0.000 0.180 0.00-.09 .03 .01 .54 .44 .20 180.000 2298 19 2298 417 64.5 9.217 2.73 1.58 0.130 -0.018 0.5 0.000 0.120 0.00-.10 .00-.01 .60 .45 .21 190.000 2204 0 2204 233 66.7 9.036 2.76 1.52 0.074 -0.006 0.5 0.000 0.000 0.00-.10 .02-.01 .55 .42 .20 200.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 210.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 220.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 230.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 240.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 250.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 260.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 270.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 280.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 290.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 300.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 310.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 320.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 330.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 15.120 632 385 632 385 60.9 11.265 3.01 1.67 0.221 0.032 0.6 0.000 0.443 0.00-.04-.01 .01 .49 .37 .20 15.194 607 344 607 360 68.2 8.249 2.25 1.71 0.230 0.030 0.6 0.000 0.444 0.00-.03 .01-.00 .51 .39 .20 15.268 612 303 612 345 62.7 9.958 2.71 1.66 0.204 0.026 0.6 0.000 0.367 0.00-.04 .00-.00 .47 .40 .20 15.342 582 244 582 313 66.2 9.786 2.66 1.65 0.188 0.018 0.6 0.000 0.328 0.00-.05 .02-.00 .46 .40 .21 15.416 640 201 640 318 62.2 10.394 2.79 1.69 0.202 0.012 0.5 0.000 0.311 0.00-.03 .03-.00 .51 .39 .20 15.490 578 144 578 281 64.7 9.066 2.54 1.62 0.189 0.000 0.6 0.000 0.231 0.00-.09-.02 .00 .54 .43 .20 15.564 544 97 544 231 64.5 9.886 2.78 1.62 0.177 0.009 0.5 0.000 0.228 0.00-.09 .04 .00 .55 .49 .19 15.638 688 104 688 295 65.6 9.372 2.73 1.58 0.184 -0.005 0.6 0.000 0.195 0.00-.09 .02-.01 .58 .41 .20 15.712 558 49 558 193 67.4 8.482 2.53 1.51 0.143 -0.008 0.5 0.000 0.182 0.00-.07 .02-.01 .57 .46 .21 15.786 648 48 648 217 62.3 8.901 2.66 1.53 0.175 -0.007 0.5 0.000 0.192 0.00-.07 .05 .00 .53 .49 .21 15.860 567 24 567 164 61.2 9.281 2.77 1.51 0.141 -0.003 0.5 0.000 0.166 0.00-.11 .03 .00 .55 .41 .20 15.934 575 18 575 141 68.0 9.344 2.83 1.49 0.126 -0.015 0.5 0.000 0.142 0.00-.09 .02 .01 .57 .42 .20 16.008 661 14 661 152 66.7 9.108 2.76 1.49 0.121 -0.011 0.6 0.000 0.182 0.00-.09 .01 .01 .54 .41 .21 16.082 565 9 565 116 63.4 9.325 2.77 1.61 0.115 -0.031 0.6 0.000 0.075 0.00-.07 .02-.01 .52 .43 .20 16.156 660 3 660 114 65.6 9.261 2.76 1.59 0.166 -0.016 0.5 0.000 0.242 0.00-.11 .01-.01 .60 .47 .21 16.230 573 0 573 89 61.3 9.350 2.71 1.62 0.124 -0.017 0.5 0.000 0.000 0.00-.12-.02-.02 .66 .47 .21 16.304 570 0 570 72 65.1 9.879 2.94 1.55 0.070 -0.008 0.5 0.000 0.000 0.00-.10-.01-.01 .59 .45 .20 16.378 658 0 658 79 68.5 8.237 2.51 1.53 0.090 -0.015 0.5 0.000 0.000 0.00-.11-.00-.00 .56 .40 .20 16.452 544 0 544 55 65.6 8.328 2.56 1.51 0.066 -0.007 0.5 0.000 0.000 0.00-.11 .03-.02 .54 .43 .20 16.526 611 0 611 54 67.1 9.427 2.91 1.49 0.091 0.002 0.5 0.000 0.000 0.00-.11 .05-.00 .54 .41 .20 16.600 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 0 0 0 0 0.0 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 12073 1987 10086 3974 64.9 9.349 2.71 1.58 0.164 0.000 0.5 0.000 0.317 0.00-.08 .01-.00 .55 .43 .20 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 4121 510 3882 1036 97.3 0.141 0.05 1.34 0.905 -2.152 0.7 0.000 1.554 0.00-.12 .02 .00 .70 .51 .22 0.100 1214 183 1194 355 86.3 3.136 1.03 1.44 0.481 0.003 0.5 0.000 0.934 0.00-.06 .02-.00 .54 .43 .22 0.200 1193 169 1165 351 76.4 4.285 1.38 1.44 0.434 0.021 0.6 0.000 0.784 0.00-.07 .01-.00 .54 .44 .21 0.300 1027 182 1001 373 66.2 5.215 1.63 1.52 0.368 0.050 0.6 0.000 0.691 0.00-.07 .01 .01 .50 .41 .21 0.400 904 145 885 291 57.3 6.116 1.87 1.57 0.320 0.030 0.6 0.000 0.628 0.00-.05 .02-.00 .48 .39 .21 0.500 593 120 578 223 48.7 7.434 2.14 1.67 0.286 0.043 0.6 0.000 0.580 0.00-.01-.01 .00 .43 .38 .19 0.600 611 127 587 246 37.8 9.043 2.43 1.76 0.217 0.037 0.5 0.000 0.419 0.00-.08 .02-.01 .42 .38 .19 0.700 457 95 444 185 22.1 10.966 2.74 1.86 0.173 0.023 0.5 0.000 0.342 0.00-.06 .01 .00 .42 .36 .18 0.800 612 140 546 303 7.5 15.514 3.38 1.98 0.133 0.003 0.4 0.000 0.251 0.00-.07 .01-.01 .35 .33 .18 0.900 1341 316 1076 611 0.0 50.744 10.03 2.24 0.049 0.002 0.4 0.000 0.103 0.00-.04 .02-.03 .22 .21 .13 1.000 Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 12073 1987 10086 3974 64.9 9.349 2.71 1.58 0.164 0.000 0.5 0.000 0.317 0.00-.08 .01-.00 .55 .43 .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 36 0 36 0 77.8 2.809 0.72 0.01 0.000 0.000 0.0 0.000 0.000 0.00-.79 .20 .12 2.3 2.2 .24 45.383 27 0 27 0 96.3 -2.561 -0.69 0.10 0.000 0.000 0.0 0.000 0.000 0.00-2.3 .16-.02 2.7 1.0 .28 90.766 87 0 87 0100.0 -2.954 -0.83 0.22 0.000 0.000 0.0 0.000 0.000 0.00-2.2 .17 .09 2.4 1.1 .27 181.531 366 7 363 19 92.3 -0.508 -0.15 0.47 1.028 -0.265 1.2 0.000 1.828 0.00-.66 .04 .00 1.0 .61 .21 363.062 2993 250 2880 651 80.8 2.842 0.90 1.22 0.500 -0.019 0.7 0.000 0.959 0.00-.07 .03-.00 .55 .45 .19 726.125 7279 1514 6081 2960 64.1 7.506 2.09 1.74 0.205 0.002 0.5 0.000 0.410 0.00-.03 .01-.00 .43 .38 .21 1452.250 1145 209 1060 328 23.4 26.100 8.05 2.02 0.049 0.004 0.5 0.000 0.112 0.00-.01-.00-.01 .28 .28 .17 2904.500 116 6 110 14 2.6 86.065 24.38 2.12 0.020 0.000 0.6 0.000 0.043 0.00-.03 .02-.04 .13 .13 .15 5809.000 20 1 19 2 0.0 347.996 46.93 2.68 0.012 0.000 0.6 0.000 0.024 0.00-.06 .02-.05 .08 .04 .11 11618.000 4 0 4 0 0.0 827.599 76.75 2.87 0.000 0.000 0.0 0.000 0.000 0.00-.06 .05-.11 .07 .05 .13 23236.000 BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 264 2 264 2 94.3 -1.401 -0.39 0.22 0.499 -0.019 0.8 0.000 0.998 0.00-1.5 .13 .06 2.0 1.2 .27 0.370 725 23 709 51 84.0 1.239 0.37 0.59 0.943 -0.024 1.1 0.000 1.689 0.00-.31 .05 .01 .72 .54 .23 0.739 1603 91 1533 186 74.8 3.135 1.05 0.94 0.563 0.010 0.9 0.000 1.024 0.00-.03 .00-.00 .51 .39 .22 1.109 2325 285 2128 527 64.7 4.913 1.77 1.30 0.423 0.007 0.8 0.000 0.724 0.00-.01 .01-.00 .45 .38 .21 1.478 3162 567 2731 1127 62.6 7.067 2.19 1.66 0.271 0.001 0.6 0.000 0.499 0.00-.04 .02 .00 .43 .38 .20 1.848 2465 558 2020 1180 65.4 10.234 2.50 2.02 0.182 -0.003 0.4 0.000 0.356 0.00-.05 .01-.01 .43 .39 .19 2.218 1115 347 851 679 50.0 18.991 4.28 2.34 0.093 -0.003 0.4 0.000 0.187 0.00-.03 .01-.01 .38 .35 .16 2.587 228 59 187 113 32.9 45.245 11.12 2.76 0.047 0.002 0.4 0.000 0.096 0.00-.03-.00-.03 .32 .29 .13 2.957 136 32 112 73 27.2 75.010 17.55 3.13 0.028 -0.001 0.4 0.000 0.055 0.00 .03-.03-.04 .29 .30 .15 3.326 50 23 40 36 24.0 132.555 25.11 3.46 0.023 0.001 0.4 0.000 0.046 0.00-.02 .03-.04 .32 .34 .12 3.696 ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 211 5 211 12 96.2 -2.321 -0.65 0.39 0.490 -0.030 0.7 0.000 1.233 0.00-2.2 .11 .13 2.4 1.3 .28 -1.380 51 8 51 10 94.1 -0.057 -0.02 0.99 1.827 -5.916 0.8 0.000 2.895 0.00-1.3 .14 .09 1.3 .60 .24 -1.260 72 4 72 11 91.7 1.275 0.39 1.07 0.575 -0.148 0.5 0.000 0.583 0.00-1.2 .18 .12 1.2 .56 .21 -1.140 105 13 105 28 80.0 3.093 0.92 1.22 0.452 -0.067 0.5 0.000 0.661 0.00-1.1 .12 .10 1.1 .57 .21 -1.020 158 14 156 38 84.2 3.203 0.95 1.27 0.361 -0.038 0.6 0.000 0.507 0.00-.95 .07 .09 .95 .47 .22 -0.900 255 23 255 59 75.3 3.925 1.19 1.41 0.422 -0.022 0.6 0.000 0.947 0.00-.84 .10 .09 .84 .43 .24 -0.780 397 53 395 126 73.3 4.441 1.31 1.49 0.264 -0.025 0.5 0.000 0.648 0.00-.71 .06 .08 .72 .41 .22 -0.660 506 83 504 179 70.6 5.398 1.56 1.53 0.274 -0.012 0.6 0.000 0.588 0.00-.59 .03 .07 .59 .42 .20 -0.540 649 116 637 224 67.8 5.841 1.68 1.55 0.233 0.015 0.5 0.000 0.455 0.00-.48 .03 .06 .48 .40 .21 -0.420 908 153 897 303 63.7 6.733 1.94 1.59 0.204 0.004 0.5 0.000 0.405 0.00-.36 .04 .02 .36 .39 .19 -0.300 1121 195 1103 385 60.0 8.944 2.54 1.63 0.196 -0.002 0.6 0.000 0.379 0.00-.24 .03 .02 .24 .38 .19 -0.180 1388 263 1353 488 52.7 17.697 4.90 1.73 0.095 0.006 0.5 0.000 0.219 0.00-.12 .02-.01 .13 .36 .19 -0.060 1568 289 1510 558 53.1 20.538 5.54 1.72 0.087 0.001 0.5 0.000 0.173 0.00-.00 .00-.01 .04 .35 .19 0.060 1257 226 1236 437 59.4 10.259 2.95 1.67 0.162 0.001 0.5 0.000 0.287 0.00 .12-.00-.03 .13 .38 .20 0.180 995 163 979 345 64.0 7.349 2.20 1.62 0.214 0.002 0.6 0.000 0.396 0.00 .24 .00-.03 .24 .36 .20 0.300 775 111 765 250 69.9 4.763 1.49 1.55 0.293 -0.012 0.6 0.000 0.535 0.00 .36-.02-.05 .36 .38 .21 0.420 558 109 548 191 74.0 4.460 1.37 1.58 0.311 -0.004 0.6 0.000 0.515 0.00 .48-.06-.06 .48 .42 .21 0.540 419 61 416 126 77.1 3.801 1.20 1.57 0.362 0.015 0.5 0.000 0.619 0.00 .59-.04-.07 .59 .43 .21 0.660 285 53 283 96 75.8 3.740 1.16 1.54 0.373 0.013 0.6 0.000 0.747 0.00 .72 .01-.07 .72 .42 .21 0.780 145 27 145 54 77.9 3.966 1.19 1.59 0.294 -0.023 0.4 0.000 0.655 0.00 .84-.06-.09 .84 .44 .22 0.900 118 8 117 28 86.4 2.408 0.77 1.40 0.620 -0.103 0.7 0.000 0.727 0.00 .96 .00-.09 .96 .48 .23 1.020 57 3 57 10 84.2 2.596 0.83 1.37 1.075 -0.049 0.9 0.000 1.281 0.00 1.1-.04-.08 1.1 .44 .24 1.140 28 2 28 4 85.7 1.891 0.60 1.28 0.553 0.078 0.4 0.000 0.995 0.00 1.2-.15-.15 1.2 .48 .26 1.260 20 3 20 5 75.0 3.319 1.01 1.55 0.576 -0.133 0.6 0.000 0.856 0.00 1.3-.10-.12 1.3 .56 .24 1.380 27 2 27 7 88.9 2.765 0.86 1.27 1.628 -0.131 0.7 0.000 2.912 0.00 1.7 .29-.20 1.7 1.5 .31 1.500 ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 28 4 28 7 96.4 -3.516 -0.94 0.44 0.804 -0.264 1.2 0.000 1.200 0.00-1.9-2.2 .15 2.6 2.5 .29 -1.380 12 2 12 3 83.3 2.039 0.68 1.37 0.446 0.524 1.1 0.000 0.424 0.00-.40-1.3-.01 1.2 1.3 .27 -1.260 24 2 24 3 87.5 1.106 0.38 1.46 0.294 0.061 0.4 0.000 0.856 0.00 .05-1.2-.03 .76 1.2 .27 -1.140 38 6 38 12 84.2 1.856 0.60 1.57 0.651 -0.228 0.5 0.000 1.141 0.00-.20-1.1 .02 1.0 1.1 .24 -1.020 77 13 77 21 90.9 1.723 0.56 1.42 0.419 -0.058 0.6 0.000 0.591 0.00-.00-.96-.06 .79 .96 .23 -0.900 118 18 118 41 79.7 3.117 0.96 1.43 0.402 0.042 0.5 0.000 0.729 0.00-.08-.84-.01 .62 .84 .24 -0.780 255 44 255 83 74.5 3.617 1.14 1.54 0.309 -0.011 0.6 0.000 0.597 0.00 .04-.71-.02 .55 .71 .23 -0.660 352 53 352 103 75.0 3.915 1.23 1.55 0.343 0.004 0.5 0.000 0.552 0.00 .00-.59-.03 .51 .59 .21 -0.540 614 101 603 206 72.1 4.539 1.39 1.54 0.332 0.000 0.5 0.000 0.581 0.00-.01-.48-.02 .49 .48 .22 -0.420 864 128 853 276 66.7 5.784 1.73 1.54 0.245 0.002 0.5 0.000 0.514 0.00-.04-.36-.00 .49 .36 .20 -0.300 1213 199 1192 395 64.9 6.351 1.88 1.57 0.249 -0.001 0.6 0.000 0.482 0.00-.06-.24-.01 .49 .24 .20 -0.180 1358 226 1334 455 60.5 9.900 2.77 1.62 0.143 -0.002 0.5 0.000 0.237 0.00-.04-.12-.00 .48 .12 .20 -0.060 1830 340 1770 630 55.1 21.008 5.65 1.72 0.095 0.000 0.6 0.000 0.184 0.00-.05 .00-.01 .44 .04 .19 0.060 1487 271 1452 535 55.7 13.855 3.81 1.67 0.117 -0.002 0.5 0.000 0.288 0.00-.07 .12-.01 .46 .12 .18 0.180 1187 177 1174 387 63.9 8.242 2.39 1.59 0.182 -0.004 0.5 0.000 0.385 0.00-.10 .24-.00 .49 .24 .20 0.300 934 152 922 297 68.5 6.107 1.81 1.54 0.238 0.012 0.6 0.000 0.456 0.00-.11 .36-.00 .55 .36 .20 0.420 595 92 592 188 71.6 4.975 1.51 1.50 0.242 0.015 0.5 0.000 0.441 0.00-.14 .48 .02 .59 .48 .20 0.540 422 63 419 132 73.5 4.184 1.29 1.51 0.308 0.002 0.5 0.000 0.452 0.00-.16 .60 .02 .64 .60 .22 0.660 292 50 291 103 73.6 3.920 1.20 1.45 0.323 -0.003 0.6 0.000 0.623 0.00-.09 .72 .01 .57 .72 .23 0.780 154 25 154 51 82.5 2.678 0.84 1.44 0.405 -0.019 0.6 0.000 1.042 0.00-.19 .84 .03 .73 .84 .21 0.900 96 11 96 25 81.2 2.746 0.86 1.47 0.477 -0.009 0.6 0.000 1.291 0.00-.30 .95 .03 .78 .95 .25 1.020 59 9 59 17 81.4 1.544 0.51 1.36 0.348 -0.043 0.5 0.000 0.610 0.00-.35 1.1 .08 .79 1.1 .27 1.140 13 0 13 1 69.2 2.312 0.71 1.05 0.103 0.051 0.3 0.000 0.000 0.00-.37 1.2 .07 .90 1.2 .25 1.260 12 1 12 3 91.7 0.409 0.14 1.07 0.899 -0.834 0.4 0.000 1.431 0.00-.58 1.3 .09 1.4 1.3 .26 1.380 39 0 39 0 94.9 -2.298 -0.69 0.40 0.000 0.000 0.0 0.000 0.000 0.00-1.4 2.2 .21 2.3 2.4 .40 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 1 0 1 0100.0 -1.736 -0.42 0.37 0.000 0.000 0.0 0.000 0.000 0.00 4.0 6.4-.86 4.0 6.4 .86 -0.780 1 0 1 0100.0 -5.955 -1.81 0.58 0.000 0.000 0.0 0.000 0.000 0.00 .40-.51-.66 .40 .51 .66 -0.660 18 3 18 6 77.8 1.900 0.65 1.26 0.404 0.104 0.7 0.000 0.958 0.00 .34-.21-.58 1.0 .50 .58 -0.540 161 23 160 43 74.5 2.883 0.96 1.37 0.371 0.006 0.6 0.000 0.945 0.00 .14-.08-.46 .61 .49 .46 -0.420 712 110 709 200 68.7 4.228 1.34 1.41 0.350 -0.005 0.6 0.000 0.595 0.00 .12-.04-.35 .53 .43 .35 -0.300 1469 220 1436 459 68.2 6.924 2.08 1.56 0.228 -0.005 0.5 0.000 0.436 0.00 .04-.01-.23 .51 .43 .23 -0.180 2345 414 2264 830 61.4 13.782 3.83 1.67 0.127 -0.001 0.5 0.000 0.265 0.00 .01 .01-.12 .46 .37 .12 -0.060 2948 517 2788 1083 59.4 13.326 3.65 1.67 0.117 0.000 0.5 0.000 0.215 0.00-.07 .02-.00 .48 .38 .04 0.060 2102 328 2041 670 62.9 8.189 2.37 1.60 0.202 0.005 0.5 0.000 0.368 0.00-.14 .02 .12 .57 .44 .12 0.180 1405 244 1382 454 71.0 5.159 1.56 1.50 0.299 -0.002 0.6 0.000 0.531 0.00-.24 .01 .23 .62 .45 .24 0.300 709 103 701 179 74.2 3.796 1.19 1.39 0.360 0.007 0.6 0.000 0.675 0.00-.32 .07 .35 .69 .50 .36 0.420 173 23 172 43 82.7 2.224 0.72 1.32 0.415 -0.013 0.6 0.000 0.811 0.00-.46 .09 .46 .97 .65 .46 0.540 28 2 28 7 85.7 1.898 0.64 1.19 0.646 0.021 0.7 0.000 1.655 0.00-.79 .41 .58 1.2 .99 .58 0.660 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.780 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.140 1 0 1 0 0.0 5.234 9.29 0.11 0.000 0.000 0.0 0.000 0.000 0.00 .97 2.3 1.2 .97 2.3 1.2 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 8099 0 8099 0 67.0 8.016 2.51 1.44 0.000 0.000 0.0 0.000 0.000 0.00-.10 .02-.00 .60 .45 .21 1.000 3974 1987 1987 3974 60.5 12.065 3.04 1.87 0.164 0.000 0.5 0.000 0.317 0.00-.04 .01-.01 .43 .38 .19 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 1992 449 1543 898 34.4 31.032 8.16 2.29 0.059 0.000 0.4 0.000 0.117 0.00-.01 .01-.03 .33 .32 .17 1.620 1765 426 1339 852 57.6 9.226 2.39 1.98 0.179 0.000 0.5 0.000 0.339 0.00-.05 .01 .01 .40 .38 .20 1.286 1495 313 1182 626 67.8 7.206 1.92 1.83 0.230 0.000 0.5 0.000 0.436 0.00-.05 .01-.01 .45 .40 .20 1.123 1354 235 1119 470 66.0 5.934 1.74 1.67 0.281 0.000 0.5 0.000 0.544 0.00-.04 .01 .01 .44 .40 .19 1.021 1237 182 1055 364 72.6 4.273 1.40 1.51 0.445 0.000 0.7 0.000 0.805 0.00-.00 .01-.00 .45 .41 .21 0.948 1150 137 1013 274 73.8 3.461 1.18 1.32 0.458 0.000 0.7 0.000 0.836 0.00-.03 .03-.01 .47 .39 .21 0.892 1054 104 950 208 78.5 2.881 0.95 1.14 0.561 0.000 0.8 0.000 0.978 0.00-.02 .00 .00 .50 .40 .22 0.847 986 83 903 166 78.3 2.669 0.85 0.91 0.570 0.000 0.8 0.000 1.083 0.00-.03 .00-.00 .51 .40 .22 0.810 821 56 765 112 82.2 1.578 0.46 0.62 0.750 0.000 1.0 0.000 1.415 0.00-.32 .03 .01 .78 .55 .22 0.779 219 2 217 4 92.7 -1.211 -0.33 0.23 1.000 0.000 1.0 0.000 1.276 0.00-1.6 .19 .05 2.1 1.2 .29 0.752 Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4401 528 4123 1141 99.5 -0.419 -0.14 1.42 1.206 -0.888 0.6 0.000 2.157 0.00-.14 .02 .00 .71 .52 .22 2.483 2339 352 2256 717 95.7 3.669 1.19 1.54 0.428 -0.002 0.5 0.000 0.781 0.00-.03-.00-.00 .48 .40 .21 4.966 2727 469 2556 945 44.0 7.065 2.12 1.54 0.277 0.041 0.6 0.000 0.562 0.00-.04 .01-.00 .46 .39 .21 9.931 1428 339 1271 605 1.0 13.561 3.35 1.73 0.171 0.031 0.6 0.000 0.371 0.00-.05 .01-.00 .39 .34 .18 19.862 655 170 547 310 0.0 27.638 5.34 2.07 0.088 0.009 0.4 0.000 0.187 0.00-.08 .03-.02 .28 .25 .14 39.725 353 88 280 173 0.0 54.186 9.63 2.26 0.053 0.005 0.5 0.000 0.108 0.00-.06 .03-.03 .18 .16 .11 79.450 122 31 92 63 0.0 114.535 17.47 2.53 0.028 0.001 0.5 0.000 0.056 0.00-.03 .05-.04 .12 .11 .09 158.900 32 8 24 17 0.0 222.244 28.66 2.81 0.019 -0.001 0.5 0.000 0.036 0.00-.04 .03-.05 .06 .06 .08 317.800 12 2 11 3 0.0 454.140 47.68 3.24 0.016 0.002 0.7 0.000 0.036 0.00-.04 .01-.04 .07 .03 .07 635.600 4 0 4 0 0.0 935.138 69.82 3.13 0.000 0.000 0.0 0.000 0.000 0.00-.05 .05-.15 .06 .05 .15 1271.200 #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 6702 957 5947 2002100.0 1.072 0.35 1.48 0.672 -0.214 0.5 0.000 1.200 0.00-.10 .02 .00 .64 .48 .21 1.569 2123 363 2008 745 53.2 6.800 1.99 1.58 0.255 0.032 0.5 0.000 0.505 0.00-.04 .01-.00 .45 .39 .21 2.460 1676 321 1555 603 0.0 11.571 3.07 1.60 0.174 0.035 0.6 0.000 0.369 0.00-.06 .00-.00 .42 .36 .20 3.859 795 193 690 342 0.0 21.404 4.71 1.82 0.101 0.019 0.5 0.000 0.230 0.00-.08 .03-.02 .31 .30 .17 6.053 325 71 283 124 0.0 34.040 7.64 2.03 0.065 0.003 0.5 0.000 0.143 0.00-.02 .01-.03 .21 .25 .16 9.495 244 49 206 94 0.0 54.025 12.09 2.20 0.042 0.002 0.5 0.000 0.080 0.00-.02 .04-.03 .16 .16 .12 14.894 143 25 121 48 0.0 90.905 18.25 2.30 0.023 0.001 0.4 0.000 0.049 0.00-.03 .04-.03 .10 .12 .12 23.361 42 7 36 14 0.0 176.025 29.24 2.61 0.021 0.000 0.6 0.000 0.043 0.00-.05 .02-.04 .08 .08 .09 36.643 19 1 18 2 0.0 362.767 47.39 2.73 0.012 0.000 0.6 0.000 0.024 0.00-.05 .02-.06 .07 .04 .11 57.477 4 0 4 0 0.0 827.599 76.75 2.87 0.000 0.000 0.0 0.000 0.000 0.00-.06 .05-.11 .07 .05 .13 90.156 Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1051 179 876 358 49.1 26.186 6.76 1.88 0.014 0.000 0.1 0.000 0.029 0.00-.06-.01-.02 .46 .40 .18 0.030 737 154 608 304 33.5 25.901 6.72 2.02 0.045 0.003 0.2 0.000 0.089 0.00-.01 .01 .01 .36 .34 .19 0.060 329 137 256 256 32.5 19.062 4.19 2.03 0.073 0.009 0.3 0.000 0.147 0.00-.11-.01 .01 .37 .37 .18 0.090 1063 128 1021 257 64.7 7.950 2.31 1.40 0.104 0.007 0.3 0.000 0.208 0.00-.11 .03-.01 .58 .42 .20 0.120 1175 86 1175 189 63.2 9.532 2.84 1.58 0.133 0.003 0.4 0.000 0.268 0.00-.08 .02 .00 .51 .41 .20 0.150 296 100 296 180 39.9 15.797 4.26 1.91 0.165 0.021 0.4 0.000 0.331 0.00-.02 .07-.02 .37 .36 .20 0.180 427 89 427 150 42.6 12.567 3.72 1.84 0.195 0.016 0.4 0.000 0.390 0.00-.04-.00-.01 .41 .37 .19 0.210 172 71 172 146 58.7 8.365 2.18 1.83 0.225 0.063 0.5 0.000 0.449 0.00-.07 .01 .02 .43 .39 .19 0.240 189 73 189 138 60.3 7.343 1.95 1.74 0.254 0.058 0.5 0.000 0.510 0.00-.03 .02 .01 .44 .36 .19 0.270 292 66 292 115 71.2 4.689 1.37 1.29 0.284 0.076 0.6 0.000 0.569 0.00-.16 .09-.00 .76 .58 .22 0.300 367 56 367 119 66.2 6.648 1.91 1.73 0.315 0.044 0.5 0.000 0.629 0.00-.06-.03 .00 .45 .45 .21 0.330 501 50 501 103 73.5 3.920 1.25 1.33 0.347 0.039 0.6 0.000 0.693 0.00-.11 .04-.00 .66 .44 .21 0.360 680 66 680 117 69.7 5.281 1.57 1.50 0.374 0.039 0.7 0.000 0.746 0.00-.07-.01 .01 .54 .43 .20 0.390 91 53 91 91 74.7 4.799 1.37 1.79 0.406 0.249 0.6 0.000 0.811 0.00-.01-.07 .03 .41 .40 .21 0.420 85 44 85 78 78.8 4.780 1.34 1.74 0.434 0.168 0.6 0.000 0.866 0.00 .01 .08-.03 .43 .42 .21 0.450 330 51 330 84 76.4 3.217 1.00 1.19 0.465 0.058 0.7 0.000 0.929 0.00-.10 .00 .00 .62 .46 .22 0.480 82 35 82 61 75.6 4.285 1.22 1.69 0.496 0.117 0.7 0.000 0.991 0.00 .02-.13 .02 .47 .52 .19 0.510 59 29 59 55 78.0 4.783 1.38 1.63 0.526 0.241 0.8 0.000 1.055 0.00-.02 .01 .04 .46 .38 .20 0.540 52 22 52 52 71.2 4.897 1.43 1.62 0.553 0.199 0.9 0.000 1.111 0.00 .05 .07-.02 .48 .44 .24 0.570 4095 498 3831 1121 77.9 3.739 1.15 1.44 1.208 -0.091 0.9 0.000 2.220 0.00-.10 .02-.00 .61 .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 3543 379 3543 903 78.4 3.486 1.09 1.40 1.265 -0.202 0.9 0.000 2.495 0.00-.10 .02-.00 .63 .47 .21 -0.460 42 22 42 42 90.5 3.069 0.88 1.82 0.441 -0.602 0.5 0.000 0.886 0.00 .06 .04-.02 .41 .35 .19 -0.420 54 21 54 39 83.3 5.236 1.41 1.79 0.397 -0.243 0.5 0.000 0.800 0.00-.07 .01 .05 .39 .39 .19 -0.380 468 23 468 58 74.1 3.928 1.27 1.29 0.361 -0.060 0.6 0.000 0.727 0.00-.10 .02-.01 .61 .42 .21 -0.340 281 20 281 52 68.3 6.572 1.92 1.76 0.318 -0.045 0.5 0.000 0.640 0.00-.06-.02 .02 .44 .43 .21 -0.300 213 23 213 64 75.6 3.711 1.11 1.14 0.277 -0.138 0.5 0.000 0.551 0.00-.23 .15 .01 .85 .65 .22 -0.260 85 30 85 71 60.0 7.644 1.98 1.87 0.241 -0.205 0.5 0.000 0.479 0.00-.08-.03-.00 .42 .39 .17 -0.220 222 34 222 68 46.8 12.378 3.61 1.82 0.200 -0.043 0.4 0.000 0.394 0.00-.06-.01-.01 .39 .38 .20 -0.180 198 42 198 94 42.4 18.794 5.34 1.99 0.159 -0.042 0.4 0.000 0.324 0.00-.05 .05-.03 .37 .33 .19 -0.140 1222 55 1222 138 70.3 5.661 1.69 1.40 0.117 -0.036 0.4 0.000 0.234 0.00-.10 .02-.00 .58 .42 .21 -0.100 224 64 224 146 39.3 16.807 3.98 2.00 0.075 -0.058 0.3 0.000 0.149 0.00-.10-.00-.01 .38 .37 .19 -0.060 372 90 372 192 36.8 26.499 6.56 2.07 0.037 -0.021 0.2 0.000 0.071 0.00-.03 .00-.00 .35 .33 .18 -0.020 876 120 756 243 51.1 25.697 6.85 1.84 0.010 0.000 0.1 0.000 0.021 0.00-.06-.01-.02 .48 .42 .18 0.020 540 123 540 227 33.0 26.376 6.70 2.02 0.039 0.019 0.2 0.000 0.077 0.00-.00 .02 .00 .37 .34 .19 0.060 241 115 241 198 29.0 23.333 5.07 2.04 0.080 0.059 0.3 0.000 0.162 0.00-.10 .01-.00 .36 .35 .18 0.100 815 89 815 163 59.6 10.765 3.27 1.52 0.118 0.031 0.3 0.000 0.232 0.00-.09 .03 .00 .53 .41 .20 0.140 163 86 163 143 42.3 11.030 2.70 1.87 0.161 0.149 0.4 0.000 0.321 0.00 .02 .07-.01 .39 .39 .20 0.180 255 82 255 132 42.0 12.140 3.53 1.84 0.201 0.079 0.5 0.000 0.402 0.00-.03 .02-.00 .44 .35 .19 0.220 182 63 182 119 61.0 7.309 1.98 1.76 0.241 0.176 0.5 0.000 0.482 0.00-.04 .02 .02 .45 .39 .20 0.260 123 67 123 95 57.7 7.708 2.07 1.71 0.279 0.254 0.7 0.000 0.556 0.00-.00-.04-.01 .39 .34 .20 0.300 119 52 119 96 59.7 6.252 1.72 1.65 0.319 0.292 0.6 0.000 0.637 0.00-.14-.05-.01 .68 .54 .21 0.340 126 58 126 99 64.3 7.012 1.91 1.80 0.362 0.288 0.7 0.000 0.725 0.00-.00 .07 .02 .41 .39 .19 0.380 591 51 591 86 70.6 4.799 1.46 1.46 0.399 0.078 0.7 0.000 0.799 0.00-.07-.02 .00 .56 .44 .20 0.420 68 41 68 61 69.1 5.750 1.60 1.71 0.439 0.414 0.7 0.000 0.879 0.00-.01 .04-.02 .41 .44 .22 0.460 1050 237 1050 445 75.5 4.570 1.34 1.51 0.697 0.274 0.8 0.000 1.347 0.00-.07 .01-.00 .55 .42 .21 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 9957 1712 8313 3402 64.2 9.929 2.83 1.65 0.122 0.003 0.4 0.000 0.243 0.00-.07 .01-.00 .52 .42 .20 1.000 1701 252 1510 515 67.6 7.335 2.26 1.26 0.425 -0.015 1.3 0.000 0.740 0.00-.14 .05-.00 .67 .45 .22 2.000 410 21 394 52 70.2 3.682 1.22 1.15 0.956 -0.043 2.3 0.000 1.551 0.00-.09 .01 .02 .67 .53 .21 3.000 4 2 3 4 50.0 4.690 1.59 1.00 0.869 -0.933 3.4 0.000 1.117 0.00 .11-.02 .14 .19 .32 .19 4.000 1 0 1 1100.0 1.680 0.56 1.23 7.284 -7.284 4.1 0.000 0.000 0.00-.27 .59-.24 .27 .59 .24 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 0 0 0 0 0.0 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 12073 1987 10086 3974 64.9 9.349 2.71 1.58 0.164 0.000 0.5 0.000 0.317 0.00-.08 .01-.00 .55 .43 .20 1.000 Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 579 0 579 0 66.5 17.991 4.92 1.93 0.000 0.000 0.0 0.000 0.000 0.00-.02 .01-.01 .44 .37 .20 1.000 Coverage Statistics for klat0834.raw .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.620 1543 3676 41.97 1.29 0.059 449 12.21 0.059 8.16 34.4 to 1.286 2882 7310 39.43 1.30 0.087 875 11.97 0.179 2.39 57.6 to 1.123 4064 10886 37.33 1.29 0.106 1188 10.91 0.230 1.92 67.8 to 1.021 5183 14480 35.79 1.27 0.119 1423 9.83 0.281 1.74 66.0 to 0.948 6238 18064 34.53 1.26 0.132 1605 8.89 0.445 1.40 72.6 to 0.892 7251 21643 33.50 1.24 0.142 1742 8.05 0.458 1.18 73.8 to 0.847 8201 25195 32.55 1.23 0.150 1846 7.33 0.561 0.95 78.5 to 0.810 9104 28736 31.68 1.21 0.157 1929 6.71 0.570 0.85 78.3 to 0.779 9869 32341 30.52 1.20 0.164 1985 6.14 0.750 0.46 82.2 to 0.752 10086 35928 28.07 1.20 0.164 1987 5.53 1.000 -0.33 92.7