************ Version 7.0.0 (beta test) for Image plate and CCD data 14th June 2006 *********** A.G.W. Leslie, MRC Laboratory Of Molecular Biology, HILLS ROAD, CAMBRIDGE CB2 2QH, UK E-mail andrew@mrc-lmb.cam.ac.uk New auto-indexing using DPS due to Ingo Steller Robert Bolotovsky and Michael Rossmann (1998) J. Appl. Cryst. 30, 1036-1040 Original auto-indexing using REFIX due to Wolfgang Kabsch (Kabsch,W. (1993), J.Appl.Cryst. 24,795-800.) X-windows interface using xdl_view due to John Campbell (Daresbury Laboratory, UK.) (Campbell,J.W. (1995) J. Appl. Cryst. 28, 236-242. ===> symmetry P1 Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /opt/pxsoft/ccp4-5.99.5/lib/data/syminfo.lib Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /opt/pxsoft/ccp4-5.99.5/lib/data/syminfo.lib ===> matrix ../autoindex_all/autoindex.mat FORMATTED OLD file opened on unit 3 Logical name: ../autoindex_all/autoindex.mat, Filename: ../autoindex_all/autoindex.mat ===> newmat integrate.mat ===> mosaic 0.69 ===> template ref-trypsin_1_###.img ===> directory /mntdirect/_scisoft/users/svensson/WorkSpace-develop/TestCase ===> beam 105.234848 105.122581 ===> wait 0 120 10 Image file wait time set to 2 minutes 0 seconds with a delay of 10 seconds to allow for slow writing of images ===> separation close ===> process 2 to 2 ===> BEST ON ===> go **** Information **** No RASTER keyword has been given. (Gives the starting parameters for the measurement box). Suitable parameters will be determined automatically. **** Information **** No SEPARATION keyword has been given. (Gives minimum spot separation before spots are flagged as overlapping. Suitable parameters will be determined automatically. **** Information **** No GENFILE keyword has been given. It will be set to the MTZ filename with an extension ".gen" ***** Because only one pack is to be processed, no post refinement or addition of partials will be carried out ***** From information in the image file, the detector has been recognized as: ADSC If this is incorrect you must supply a DETECTOR keyword Crystal to detector distance of 116.02mm taken from image header Wavelength of 0.93400A taken from image header Pixel size of 0.1024mm taken from image header. **** WARNING **** Because input wavelength ( 0.9340) is not CuKa (1.5418) or Mo (0.7107), source is assumed to be a synchrotron and synchrotron defaults for polarisation and beam divergence will be used if these have not been defined explicitly (SYNCH POLAR and DIVH/DIVV keywords. Title for MTZ and GENERATE Files (TITLE): . Crystal identifier (IDENT): ref-trypsin_1 Warning: No PROTEIN NAME given by KeyWord PNAME It has been set to "Unspecified" Warning: No CRYSTAL NAME given by KeyWord XNAME It has been set to "ref-trypsin_1" Warning: No DATASET NAME given by KeyWord DNAME It has been set to "Unspecified" Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /opt/pxsoft/ccp4-5.99.5/lib/data/syminfo.lib Beam Parameters =============== Wavelength 0.9340 Beam divergence: Horizontal (DIVH) 0.100 Vertical (DIVV) 0.020 Wavelength dispersion (DISP) 0.00150 Correlated Del-Lambda (DELCOR) 0.00000 The X-ray beam is assumed to have a degree of polarisation of 0.950 Crystal Parameters =================== Crystal identifier (used as template for image file names (IDENT): ref-trypsin_1 Space group (SYMMETRY) 1 (P1) Real cell parameters (CELL): 54.679 57.402 66.218 89.327 89.108 87.015 Reciprocal cell parameters : 0.017107 0.016294 0.014108 90.63 90.86 92.97 Mosaic spread (MOSAIC) 0.690 degrees Rotation matrix U defining standard setting : -0.94481 0.27408 0.17949 0.30714 0.93166 0.19409 -0.11403 0.23850 -0.96442 Orientation Matrix [A], Components of A*,B*,C* Along X -0.016162 0.005259 0.002686 Along Y 0.005254 0.014901 0.002518 Along Z -0.001951 0.003977 -0.013619 Misorientation Angles 0.000 0.000 0.000 Detector parameters =================== Pixel size in the "slow" (X) direction in the image (PIXEL) 0.102 mm Physical limits of detector (LIMITS) relative to direct beam position Minimum and maximum X coordinate (XMIN,XMAX) 0.00 105.38 mm Minimum and maximum Y coordinate (YMIN,YMAX) 0.00 105.26 mm Minimum and maximum radial coordinates (RMIN,RMAX) 3.00 148.95 mm Detector limits relative to the physical centre of the detector: in X (XSCAN) 105.00 mm, in Y (YSCAN) 105.00mm Detector translations: XOFF -0.38 mm YOFF -0.26 mm These are the distances between the direct beam position and the centre of the image. Crystal to detector distance (DIST) 116.02 mm Detector swing angle (TWOTHETA) 0.00 degrees Maximum resolution (RESOLUTION or RMAX) 1.064A Low resolution cutoff (RESOL or RMIN and RCENTRE) 36.13A Minimum spot separation before spots will be classified as overlapping: (SEPARATION) In scanner X,Y directions 0.00 0.00mm When rejecting background pixels due to overlap of adjacent spots the peak size of the neighbouring spots will be reduced by 0 pixels in both directions (TRIM). In addition, there must be at least 1 adjacent spots overlapping any given pixel before it is rejected (NOVERLAP). Pixels overlapped by neighbouring spots will be determined for each spot individually (CLOSE subkeyword). Detector gain (GAIN) 0.25 Scanner adc offset (ADCOFFSET) 0 Pixels outside active area have values of 0 (NULLPIX) Non-linearity correction (quadratic correction)0.000E+00 (NONLINEARITY) Nominal detector thickness (controls expansion of measurement box) 0.20 mm Direct beam coordinates (BEAM) set to 105.235 105.123 mm Note that these coordinates are wrt an origin at the first pixel in the image, with X the slowly changing direction and Y the fast direction in the image. Images will be read from the following 1 directories (DIRECTORY...up to 10 can be given): /mntdirect/_scisoft/users/svensson/WorkSpace-develop/TestCase/ The filename extension (EXTENSION) is:img Scanner instrument error factor set to 0.070 This value will override that calculated by the program Direct beam search box size (FIDUCIAL BEAM)(mm) 0.0 Threshold for locating direct beam (FIDUCIAL THRESHOLD 0 Image consists of 2048 stripes each of 2048 pixels (SIZE) Header information is contained in the first 1 records of the file Distortion parameters (DISTORTION): Crystal to detector distance scalar (XTOFRA) 1.0000 Dividing factor relating pixel size in fast scan direction to that in slow direction ( YSCAL) 1.0000 Detector Tilt (TILT) 0 Twist (TWIST) 0 Radial offset (mm) (ROFF) 0.00 Tangential offset (mm) (TOFF) 0.00 Radially dependent ROFF (RDROFF) 0.00mm,Radially dependent TOFF (RDTOFF) 0.00mm Camera constants (mm and degrees): CCX 0.00 CCY 0.00 CCOM 0.000 The oscillation axis is parallel to the fast axis in the image (scanner Y) Parameters affecting refinement (REFINE keyword) ================================================ Initial refinement uses 20 (NREF) reflections up to 45.0mm (LIMIT) from the image centre with an rms variation in pixel values more than 20 times that expected for a uniform background (NSIG) PARTIALS and OVERLOADS will be rejected for positional refinement (Use INCLUDE PARTIALS or INCLUDE OVERLOADS to use these spots) The measurement box will be used in the initial determination of the centre of gravity of spots in the central region (USEBOX) Following 2 cycles of refinement (CYCLES) if the weighted residual exceeds 5.0 (RESID) then processing will be abandoned. For the outer regions of the image, spots with I/(sigma(I)) > CUTOFF will be selected where CUTOFF is 40 for the outermost bins and is incremented by 10 for each bin working towards centre of image (IMIN) For spots selected for refinement, the maximum allowed value for (background gradient)/(average background is 0.030 (GRADIENT) and the maximum allowed fraction of rejected background pixels is 0.50 (BGREJECT) Reflections will be weighted by the estimated error in the position of their centre of gravity (WEIGHT) PROFILE FITTING =============== (Use PROFILE OFF to suppress profile fitting) The default profile binning for this resolution giving 21 standard profiles will be used (Default is 21 bins above 2.5A, 9 below.) To change this use XLINES/YLINES to define the areas you want The measurement box parameters will be optimised for every standard profile independently (OPTIMISE). The parameters used in the optimisation are: Tolerance (TOLERANCE) Minimum 0.020 Maximum 0.030 Boundary (BOUNDARY) 6 See the help library for a description of these parameters (To switch off optimisation for all standard profiles use NOOPT, to turn it off for the average central spot profile also use NOOPT ATALL) The overall dimensions of the box will not be altered in the optimisation (FIXBOX) Reflections with peak pixel intensity less than 2 times (ISDR) the rms variation in background density will be rejected from the STANDARD PROFILES For the standard profiles, background points which lie more than 99.0 sigma (BGSIG) from the best least squares plane will be rejected Spots with more than 0 (NOVPIX under OVERLOADS) pixel values greater than 65500 (CUTOFF) will be treated as OVERLOADS and excluded. The rejection criteria applied to each profile are: Minimum number of reflections contributing to profile 10 (NREF) Maximum rms variation in background (after scaling peak to 255) 20.0 (RMSBG) Pixel values will be interpolated to place CALCULATED spot position in centre of measurement box (INTERPOLATE) The background mask for each measurement box will be updated on the basis of background points rejected from the standard profile for that box. The updated mask will be used in the integration pass (CHANGEMASK) Profiles will be accumulated over 1 images (BLOCK subkeyword on PROCESS line) prior to integration (ACCUMULATE) All profiles will be printed (PRINT) The least-squares fit of the standard profiles to individual spot pixel values will be weighted (WEIGHT) The profile will be fitted to the peak pixels only, rather than fittin a plane plus the scaled profile to the entire box In the formation of the standard profiles, each reflection will be weighted using counting statistics (WSUM) A separate profile will be calculated for every reflection as a weighted sum of neighbouring profiles (VARIABLE) For fully recorded reflections, individual peak pixels will be rejected from profile fitting if their fit to the scaled profile deviates by more than 20.0 times the expected error (WDLIM1). For ALL reflections, for pixels adjacent to overlapped pixels, the rejection factor is 20.0 (WDLIM2). REFLECTION INTEGRATION ====================== OVERLOADS (OVERLOAD): Any reflection with more than 0 (NOVER) pixels with a value greater than 65500 (CUTOFF) will be flagged as overloads. Background evaluation (BACKGROUND): A fraction 0.80 (BGFRAC) of the background pixels will be used in the initial determination of the plane constants Pixels deviating by more than 3.0 (BGSIG) sigma from this initial plane will be rejected. If there are fewer than 50 background pixels remaining after rejecting those overlapped by neighbouring spots, background pixels with the lowest values in the standard profile will be included until 50 background pixels are obtained. This number is RECLEVEL*NBGMIN where RECLEVEL is set by keywords BACKGROUND RECOVER RECLEVEL and NBGMIN by REJECTION MINBG NBGMIN REJECTION CRITERIA (REJECTION): Reflections for which the (background gradient)/(average background) is greater than 0.030 will be rejected (GRADMAX) Minimum number of background pixels remaining after rejection of outliers 10 (MINB) Maximum BGRATIO 3.0 (BGRATIO) Maximum PKRATIO 3.5 (PKRATIO) Reflections failing the PKRATIO test will be rejected (use REJECT PKRATIO ACCEPT to keep the summation integration value.) Rejected reflections will be omitted from the MTZ file. Other options ============= Average spot profile will be printed for all packs ************************************************** Processing image 2 The output generate file is process_2_2.gen The output MTZ file is process_2_2.mtz ******************************************************************************* 5736 Reflections generated: 260 Fully recorded 5476 Partials 0 Overlapped reflections 49 Too wide in phi Number of partials extending over 2 to 9 images 3820 1024 260 124 74 44 33 28 THERE ARE 8548 REFLECTIONS. "MEDIAN" " " " " ": 2 " NADD is currently............. 0 NIVB is now................... 2 *** Post-refinement will use partials extending over several images *** This is equivalent to including a POSTREF MULTI keyword. (To prevent this, include keywords POSTREF NOMULTI.) Reflections from up to 3 images will be used in the refinement of missetting angles. image FILENAME: /mntdirect/_scisoft/users/svensson/WorkSpace-develop/TestCase/ref-trypsin_1_002.img ************************************************ Processing Image 2 Phi 90.00 to 91.00 ************************************************ Determining average spot size for spots in centre of image. ========================================================== Determining best threshold for spot finding. Default parameters may be reset with SPOTS keyword. Minimum radius 3.0mm, maximum radius 34.46mm, minimum number of spots 10 Background strip overlaps gap between detector tiles, so YOFFSET changed to 5.2mm Number of spots excluded from possible ice rings: 27 Threshold set to 5.0 Number of spots excluded from possible ice rings: 32 Threshold set to 5.0 Based on a median spot size of 7 by 6 pixels in X and Y, the measurement box parameters have been set to 21 19 11 6 6 The overall size of the box has been fixed. To prevent this use keywords PROFILE NOFIXBOX. Based on a median spot size of 7 by 6 pixels in X and Y, the spot separation parameters (in X and Y) have been set to 0.92 0.81mm. Closest possible spot separation is 1.64mm. 5823 Reflections generated: 260 Fully recorded 5563 Partials 430 Overlapped reflections 204 Too wide in phi Number of partials extending over 2 to 4 images 3543 1011 260 THERE ARE 8690 REFLECTIONS. "MEDIAN" " " " " ": 2 " NADD is currently............. 3 NIVB is now................... 2 ***** WARNING ***** ***** WARNING ***** ***** WARNING ***** Because the fraction of fully recorded reflections is less than 0.33, partials will be included in the positional refinement. This fraction can be reset with keywords REFINE FULLFRAC eg: "REFINE FULLFRAC 0.5" will change it to 0.5 Partial reflections spanning more than 5 images will NOT be integrated. (use MAXWIDTH to change but maximum width is 10 images). Refinement cycle 1 356 Fulls and partials to be measured 4 reflections have been rejected because the measurement box contains pixels with values less or equal to 0 (assumed to be outside the scanned area). See warning at end of logfile or in summary file. ***** WARNING ***** ***** WARNING ***** ***** WARNING ***** Because there are very few fully recorded reflections in the central region of the image, partials will be used in forming the standard profiles. This is equivalent to including keywords: PROFILE PARTIALS If you do NOT want to include partials in forming profiles, use keywords: PROFILE FULLS Final rms residual: 0.100mm; Weighted residual 1.0 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.15 105.21 1.0027 116.34 0.9987 -16 -14 Refined Fiducial constants (mm and degrees) CCX: -0.08 CCY: -0.04 CCOM: 0.0127 Refinement cycle 2 Repeating refinement using the same list of 60 reflections 60 Spots to be measured Final rms residual: 0.106mm; Weighted residual 1.1 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.13 105.19 1.0042 116.51 0.9985 -31 -3 Refined Fiducial constants (mm and degrees) CCX: -0.10 CCY: -0.09 CCOM: 0.0328 Repeat refinement because INITIAL RESIDUAL is greater than 2.0 Refinement cycle 1 356 Fulls and partials to be measured 5 reflections have been rejected because the measurement box contains pixels with values less or equal to 0 (assumed to be outside the scanned area). See warning at end of logfile or in summary file. Final rms residual: 0.118mm; Weighted residual 1.1 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.12 105.14 1.0038 116.46 0.9989 -27 -2 Refined Fiducial constants (mm and degrees) CCX: -0.11 CCY: -0.09 CCOM: 0.0283 Refinement cycle 2 Repeating refinement using the same list of 60 reflections 60 Spots to be measured Final rms residual: 0.119mm; Weighted residual 1.0 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.12 105.17 1.0040 116.49 0.9986 -22 -6 Refined Fiducial constants (mm and degrees) CCX: -0.11 CCY: -0.09 CCOM: 0.0311 5 Fulls to be measured 5 Reflections included in AVERAGE SPOT PROFILE Average spot profile for central region. Rejected background pixels flagged by "*", true background by "-" Final optimised raster parameters: 21 19 12 5 5 This gives 87 pixels in the peak and 286 in background after rejecting outliers. Note that the number of background pixels rejected on any individual spot may be much smaller than the number rejected here. Separation parameters updated to 1.12mm in X and 0.92mm in Y C. of G. SHIFTS = 0.007 0.012mm Background residual= 2.3 (peak scaled to 255) -0-0-0-1-1-2-2-2-2-2-2-1-2-2-2-2-1-2-2-2-2 -1-1-1-1-1-2-1-1-1-1-2-2-2-2-2-2-1-2-2-2-2 -1-1-0-1-1-2-1-1-1-1-2-2-2-2-2-2-1-2-2-2-2 -1-1-1-0-1-2-1-1-2-1-2-2-2-2-2-2-1*1-1-2-2 -0-1-1-1-1-2-1-1-2-2-2*2-2-2-2-2-1-2-2-2-2 -0-1-1-1-1-2-1 2 2 2 3 4 4 3-2-2-2-2-2-2-2 -0-1-1-1-1-1 2 3 5 6 7 9 9 6 3-2-2-2-2-2-3 -1-1-1-1-1 3 5 6 8 C F F D 9 5 3-2-2-2-2-2 -0-1-1*2*2 4 6 9 B H R S L C 6 3*3-2-2-2-2 -0-1-1*2*3 5 7 9 B N Z Y N E 7 3*3*3-2-2-2 -0-1-1-1*2 5 7 8 A G O N G A 6 3*3-2-2-2-2 *0-0-1-1-2 4 6 7 9 B C B 8 6 4 2-2-2-2-2-2 -0-1-1-1-2*3 5 5 6 6 5 5 4 3 2-2-2-2-2-2-2 -1-1-1-1*2-1*2 3 3 2 3 3 2 2*2-2-2-2-2-2-2 -1-1-1-1-2-1-2-2-2*2-2-2-2-2*2*2-2-2-2-1-2 -1-0-1-1-1-1-1-2-1-2-1-1-1-2-2*2-2-2-2-1-2 -0-0-1-1-1-1-1-1-1-1-1-1-1-2*2*2-2-1-1-2-2 -1-1-1-1-1-1-1-1-1-1-1-1-2*2-2-2-2-1-2-2-2 -0-0-0-1-1-1-1-1*0-1-1-2*2*2-2-2-2-1-2-2-2 If the peak region is too large, supply two values on the PROFILE TOLERANCE keyword. The first value is used for the centre of the image, and the second for the outermost profiles. See the helpfile for details. 53 Reflections outside scanned limits on X. 19 Reflections outside scanned limits on Y. Refinement using reflections over entire image ONLY 0 spots found in bin 1 ONLY 0 spots found in bin 2 ONLY 0 spots found in bin 3 ONLY 0 spots found in bin 5 ONLY 0 spots found in bin 6 ONLY 0 spots found in bin 7 ONLY 0 spots found in bin 8 Only 25 reflections found (including those from central region Reducing I/sigma(I) threshold from 40 to 10 and increment from 10 to 3 These reduced values will be used on all subsequent images These parameters can be set using subkeyword IMIN on REFINEMENT keyword ONLY 2 spots found in bin 2 ONLY 4 spots found in bin 3 ONLY 2 spots found in bin 6 ONLY 4 spots found in bin 7 Final rms residual: 0.209mm; Weighted residual 0.9 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.25 104.80 1.0015 116.19 1.0028 -14 -22 Refined Fiducial constants (mm and degrees) CCX: 0.01 CCY: -0.02 CCOM: 0.0675 Repeat refinement because initial or final residual is greater than 2.0 52 Spots to be measured Final rms residual: 0.228mm; Weighted residual 0.9 XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST 105.15 105.20 1.0045 116.54 0.9985 -23 -18 Refined Fiducial constants (mm and degrees) CCX: -0.08 CCY: -0.07 CCOM: -0.0271 86 Reflections outside scanned limits on X. 46 Reflections outside scanned limits on Y. MAX. No. of Active Reflections= 44 5057 Reflections written to scratch file for integration Only 0 of the 52 reflections used in CENTRS refinement located in new generate file 0 of these are fully recorded 5813 Reflections generated: 256 Fully recorded 5557 Partials 553 Overlapped reflections 181 Too wide in phi Number of partials extending over 2 to 4 images 3472 988 257 THERE ARE 8715 REFLECTIONS. "MEDIAN" " " " " ": 2 " NADD is currently............. 3 NIVB is now................... 2 ************************************************ Integrating Image 2 Phi 90.00 to 91.00 ************************************************ Statistics on the standard PROFILES (before averaging) BOX XMIN XMAX YMIN YMAX NX NY RMSBG DELX DELY NO A B C DEVMAX NBGREJ NOVER NWK CORRLN 1 0 31 0 31 25 23 34.9 0.014 -0.033 80 0.05 0.07 75.0 90.5 226 0 9 0.467 2 0 31 31 72 25 21 24.7 0.013 -0.026 104 0.11 0.11 111.2 73.3 0 0 21 0.597 3 0 31 72 137 25 19 23.9 -0.026 -0.044 134 0.18 0.01 141.6 72.5 0 0 56 0.515 4 0 31 137 179 25 21 25.7 0.081 0.011 109 0.09 -0.09 104.5 80.5 204 0 20 0.524 5 0 31 179 210 25 23 34.0 0.006 -0.119 87 0.06 -0.10 74.2 97.0 176 0 15 0.135 6 31 72 0 31 23 23 24.2 0.213 -0.146 119 0.06 0.11 89.9 92.1 206 0 26 0.227 7 31 72 31 72 23 21 16.4 -0.089 -0.105 208 0.20 0.34 168.8 50.6 18 0 43 0.786 8 31 72 72 137 23 19 9.0 0.018 -0.078 383 0.90 -0.07 310.6 41.3 0 0 55 0.722 9 31 72 137 179 23 21 18.1 -0.245 -0.098 202 0.23 -0.41 176.9 65.5 164 0 46 0.569 10 31 72 179 210 23 23 31.6 0.018 0.075 115 0.06 -0.12 88.4 84.3 188 0 27 -0.022 11 72 137 0 31 21 23 27.2 0.016 -0.045 92 0.03 0.15 98.4 73.8 200 0 7 0.064 12 72 137 31 72 21 21 6.5 -0.034 0.002 199 -0.14 0.93 256.9 40.4 122 0 25 0.784 13 72 137 72 137 21 19 1.5 0.035 0.019 336 0.05 -0.12 568.3 10.2 0 0 1 1.000 14 72 137 137 179 21 21 7.9 -0.188 -0.008 193 -0.22 -0.87 268.4 56.1 200 0 25 0.271 15 72 137 179 210 21 23 25.7 0.043 0.095 82 0.02 -0.23 96.5 76.2 301 0 14 0.314 16 137 179 0 31 23 23 35.1 -0.177 -0.199 143 -0.05 0.09 87.4 119.2 94 0 6 0.320 17 137 179 31 72 23 21 15.1 -0.183 0.081 247 -0.26 0.30 159.7 68.6 104 0 28 0.098 18 137 179 72 137 23 19 9.0 -0.242 0.071 398 -1.19 0.01 294.7 51.8 118 0 52 0.204 19 137 179 137 179 23 21 15.1 -0.400 0.087 234 -0.39 -0.36 165.4 62.7 84 0 36 0.011 20 137 179 179 210 23 23 28.4 -0.136 0.032 139 -0.03 -0.11 84.8 110.0 146 0 9 0.180 21 179 210 0 31 25 23 33.7 -0.195 0.837 96 -0.06 0.08 71.2 100.8 0 0 3 -0.045 22 179 210 31 72 25 21 35.0 -0.260 0.003 160 -0.09 0.08 101.3 101.3 60 0 16 -0.125 23 179 210 72 137 25 19 22.4 0.078 0.004 277 -0.17 0.01 126.7 67.0 84 0 40 0.184 24 179 210 137 179 25 21 27.8 -0.687 0.000 168 -0.08 -0.07 101.0 92.4 26 0 16 0.111 25 179 210 179 210 25 23 20.9 -0.017 -0.091 89 -0.07 -0.12 70.0 205.6 210 0 4 0.122 Statistics on averaged profiles BOX XMIN XMAX YMIN YMAX NX NY RMSBG DELX DELY NO A B C DEVMAX NBGREJ NOVER NWK CORRLN 1 0 31 0 31 25 23 27.7 -0.022 -0.047 511 0.00 -0.01 0.1 71.5 244 0 99 0.691 *** Still rejects this profile *** You may want to change the rejection criteria (keywords RMSBG and NREF) Reflections in this measurement box will be simply integrated and not profile fitted in the integration pass 2 0 31 31 72 25 21 10.7 0.001 -0.067 1028 0.04 -0.05 0.0 44.8 214 0 210 0.778 3 0 31 72 137 25 19 9.7 0.012 -0.074 730 0.01 0.00 -0.1 36.9 170 0 152 0.782 4 0 31 137 179 25 21 14.4 0.020 -0.052 1030 0.01 -0.04 0.4 67.7 224 0 219 0.789 5 0 31 179 210 25 23 29.1 -0.069 -0.066 513 -0.02 0.01 0.1 98.4 254 0 108 0.710 *** Still rejects this profile *** You may want to change the rejection criteria (keywords RMSBG and NREF) Reflections in this measurement box will be simply integrated and not profile fitted in the integration pass 6 31 72 0 31 23 23 13.0 -0.034 -0.008 802 -0.01 0.01 0.5 38.4 356 0 131 0.834 10 31 72 179 210 23 23 18.8 -0.187 -0.034 788 -0.02 0.08 0.2 57.8 396 0 147 0.365 11 72 137 0 31 21 23 12.1 -0.030 -0.003 553 -0.07 0.03 0.7 32.8 320 0 64 0.810 15 72 137 179 210 21 23 10.3 -0.150 -0.013 529 -0.54 0.01 1.5 23.5 360 0 75 0.307 16 137 179 0 31 23 23 8.3 -0.070 0.009 937 0.00 0.00 0.1 30.6 214 0 85 0.751 20 137 179 179 210 23 23 13.0 -0.293 0.008 905 -0.01 -0.03 0.2 29.6 318 0 104 0.299 21 179 210 0 31 25 23 30.4 -0.173 0.061 646 0.00 0.00 0.0 113.0 122 0 53 0.182 *** Still rejects this profile *** You may want to change the rejection criteria (keywords RMSBG and NREF) Reflections in this measurement box will be simply integrated and not profile fitted in the integration pass 22 179 210 31 72 25 21 9.5 -0.263 0.052 1321 0.00 -0.01 -0.1 44.1 94 0 145 0.303 23 179 210 72 137 25 19 11.1 -0.284 0.052 1003 0.01 0.00 0.0 41.4 122 0 124 0.313 24 179 210 137 179 25 21 11.8 -0.326 0.053 1305 0.02 0.01 0.1 42.2 174 0 157 0.309 25 179 210 179 210 25 23 15.6 -0.086 -0.028 396 -0.01 0.00 0.0 210.9 198 0 29 0.351 In the following profiles, background pixels are indictated by a "-" sign and rejected background pixels (due to overlap by a neighbouring spot) are indicated by a "*". Pixels with negative values are denoted by a "]". Note that a background pixel is shown as being rejected if it is overlapped by a neighbouring spot for ANY reflection in that area of the detector. However, because the SEPARATION CLOSE option is being used overlapped pixels will be determined separately for every spot, and most spots will have far fewer overlapped pixels than shown here. Profile for box 1 *** Before averaging *** X Limits 0 to 31 mm, Y limits 0 to 31 mm, Number of reflections in profile 80 RMSBG 34.9 Profile Factor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rofile for box 1 X limits 0 to 31 mm, Y limits 0 to 31 mm Number of reflections in profile 511 RMSBG 27.7 Profile factor 1.00 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0-0-0-0 Z Z Z Z Z-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0-0-0-0 Z Z Z Z Z Z Z-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0-0-0 Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0-0 *0*0*0*0*0*0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 *0*0*0*0*0*0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 *0*0*0*0*0*0-0 Z Z Z Z Z Z Z Z Z Z Z-0*0*0*0*0*0*0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0*0*0*0*0*0*0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z-0-0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0 Z Z Z Z Z Z Z-0-0-0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0 Z Z Z Z Z-0-0-0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 Profile for box 2 *** Before averaging *** X Limits 0 to 31 mm, Y limits 31 to 72 mm, Number of reflections in profile 104 RMSBG 24.7 Profile Factor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rofile for box 2 X limits 0 to 31 mm, Y limits 31 to 72 mm Number of reflections in profile 1028 RMSBG 10.7 Profile factor 0.68 *3*3*3*5*4*3*2*2*3*3*3*1*2*0*0*0*0-]-0-]-]-0-2-1-0 *4*0*0*4*3*4*5*6*8*7*7*5*4*3*1-0-0-0-]-0-0-0-0-0-0 *2*]*]*1*1*2*2*4*5*4*4*3*1*2*0-]-1-]-]-0-]-]-]-]-] *]*]*1*2*]*1*1*2*2*2*1*2*1*1*2-]-]-]-]-]-0-0-]-]-] *2*]*1*1*]*0*1*2-2-2-1-3-3-2-0-]-]-]-]-]-]-]-]-]-1 *2*0*]*0*]*]*2-2 3 3 3 4 5 4 3 0 ]-]-]-]-]-]-]-0-1 *0*]*]*]*0*]-1 3 4 5 6 7 8 8 8 5 1 ]-]-]-0-0-0-]-2 *]*]*]*0*]*1 3 5 7 9 B C E F F B 5 1 0-1-0-0-0-]-2 *0*]*0*1*2*4 7 8 A D H K N N N J B 3 ]-]-]-0-1-0-] *0*]*0*2*4*5 8 A E I O T U U T P G 6 1-]-]-0-]-]-] *3*]*]*3*5*6 8 B G M R W Z Z Y U L 9 2*0*]*]*]*0*] -2-]-0-2-3-5 7 B G L Q V X Y X X P B 4*0*0*]*]*0*] -2-]-1-3-4-4 7 B F K N S U V T S L B 3*0*]*]*]*]*] -1-]-]-1-3-4 6 9 D H K N P Q P N H 8 1*0*]*]*]*]*] -0-]-]-]-1-1-4 7 A D F H I K J H C 5-0*]*]*]*]*]*] -]-]-]-0-0-1-3-5 7 7 9 A B C B A 7-3*0*]*]*]*]*]*] -1-]-]-]-0-1-2-3-5-5-7-7-6-7-6-4-3*0*]*]*]*]*]*]*] -1-]-]-]-]-0-1-1-3-3*4*3*3*3*3*0*0*]*]*]*]*]*]*]*] -0-]-]-]-]-]-]-]-]-0*2*1*1*2*1*]*]*]*]*]*]*]*]*]*] -]-]-]-]-]-]-]-]-]-]*0*]*0*0*]*]*]*]*]*]*]*]*]*]*] -]-]-]-]-]-]-]-]*]*]*]*]*]*0*1*1*1*0*0*]*]*]*]*]*] Profile for box 3 *** Before averaging *** X Limits 0 to 31 mm, Y limits 72 to 137 mm, Number of reflections in profile 134 RMSBG 23.9 Profile Factor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rofile for box 3 X limits 0 to 31 mm, Y limits 72 to 137 mm Number of reflections in profile 730 RMSBG 9.7 Profile factor 0.68 *0*]*]*2*2*2*4*4*7*6*5*4*3*1*0*0*0-0-]-0-1-0-0-0-] *0*]*]*0*0*0*1*3*4*3*3*1*0*1*]*]*0-]-]-0-]-]-]-]-0 *]*]*]*0*]*]*0*0*2*2*1*1*0*1*0*]*0-]-]-]-0-0-]-0-] *1*]*]*0*]*]*]*0*1*1*0*2*2*1*]*]*]-]-]-]-]-]-]-]-1 *0*]*]*]*]*]*0-1 1 1 2 3 4 3 2 0 0-]-]-]-]-]-]-0-1 -]*]*]*]*]*]-0 2 3 4 5 6 7 8 7 4 1 0-]-]-0-0-1-0-1 -]-]*]*]*]-1 2 4 6 8 A C E F F B 5 2 0-1-1-0-1-0-3 -]-]-]*0*1-3 5 7 A D H K N O O K C 4 1-0-0-1-2-0-1 -1-]-0-1-3-4 6 9 D I N S U V U Q H 7 2-0-]-0-0-0-0 -2-]-]-2-4-5 7 A F L Q V Y Z Y V M 9 2-1-0-0-0-0-0 -2-]-]-2-3-5 7 A G K O U X Y X X P C 4-1-1-1-0-1-0 -1-]-0-2-3-4 7 A F J N R U V T S L B 4-0*0*0-0-0-0 -1-]-]-0-2-4 6 9 E H K O P Q P O H 8 2-1*0*]*]-]-] -1-]-]-0-2-2-4 8 B D G I J K K H C 5-1*0*]*]*]*0-] -0-]-]-0-0-1-3-6 8 8 A B C D C B 8-3*1*0*]*]*]*]*0 -0-]-]-]-0-1-2-3*5*5*7*7*6*8*8*5*4*1*0*]*]*]*]*]*] -1-]-]-]-]-1-1-1*3*3*4*4*3*4*5*1*0*]*]*]*]*]*]*]*0 -0-]-]-]-]-]-0-]*]*0*3*2*2*3*2*0*]*]*]*]*]*]*]*]*1 -]-]-]-]-]-]-]-]*0*]*1*0*1*1*0*1*0*]*]*]*]*]*]*]*0 Profile for box 4 *** Before averaging *** X Limits 0 to 31 mm, Y limits 137 to 179 mm, Number of reflections in profile 109 RMSBG 25.7 Profile Factor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rofile for box 4 X limits 0 to 31 mm, Y limits 137 to 179 mm Number of reflections in profile 1030 RMSBG 14.4 Profile factor 0.80 *2*0*0*]*0*0*]*]*0*]*2*0*]*]*]*]*]-0-0-1-0-1-]*1-] *0*]*]*1*1*1*3*3*6*5*4*3*2*1*]*]*]-0-]-0-0-0-]*]-] *]*]*]*]*]*]*0*1*3*3*2*0*]*0*]*]*]-]-0-0-0-]-]*]-0 *]*]*]*]*]*]*0*]*1*1*0*0*]*0*]*]*]-]-]-]-]-]-]*0-0 *1*]*]*]*]*]*]*]*1*1*0*0*0*0*]*]*]-]-]-]-]-]-]*]-] *]*]*]*]*]*]*]*0-1-0-1-2-3-3-1-]-]-]-]-]-]-]-]-]-0 *]*]*]*]*]*]*0-1-2 3 4 4 6 6 6 2-]-]-]-]-]-0-]-]-1 -]*]*]*]*]*1-2-3 5 7 9 B C E E 9 4-1-]-0-0-]-0-0-4 -]-]-]*]*0-2-5 7 9 D G K M N M I A 2-]-]-]-]-1-0-] -]-]-]-0-2-3-5 8 D I N S T U T O G 5-1-]-]-]-]-]-0 -2-]-]-2-3-5-7 A E L Q V Y Z Y U L 8-1-]-]-]-]-]-] -3-]-]-1-2-5-7 A E J O T W Y W V M 9-2-0-]-]-]-0-] -0-]-]-2-3-4-7 A F J M Q T T R Q J 9-2-]*]*]-]-0-0 -0-]-]-0-2-3-6-9 E H K N N O N L G-7-0*]*]*]*]*]-] -1-]-]-]-0-1-4-7-B D F H H J I F-A-3*]*]*]*]*]*]*] -]-]-]-]-]-0-2-4-7-7-A-A-A-B-A-8-5*1*]*]*]*]*]*]*] -]*]-]-]-]-]-0-1*5*5*6*5*5*5*5*2*1*]*]*]*]*]*]*]*] -0*]-]-]-]-]-]-0*2*2*1*2*2*1*3*]*]*]*]*]*]*]*]*]*] -]*]-]-]-]-]-]-]*]*]*0*0*0*1*0*]*]*]*]*]*]*]*]*]*] -]*]-]-]-]-]-]-]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*] -]*]-]-]-]-]-]-]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*] Profile for box 5 *** Before averaging *** X Limits 0 to 31 mm, Y limits 179 to 210 mm, Number of reflections in profile 87 RMSBG 34.0 Profile Factor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rofile for box 5 X limits 0 to 31 mm, Y limits 179 to 210 mm Number of reflections in profile 513 RMSBG 29.1 Profile factor 1.00 *0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0*0-0 *0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0*0*0*0-0-0-0 Z Z Z Z Z-0-0-0-0-0-0-0-0-0-0 -0*0*0*0*0*0-0-0-0 Z Z Z Z Z Z Z-0-0-0-0-0-0-0-0-0 -0-0-0*0*0-0-0-0 Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z-0-0-0*0*0-0-0-0 -0-0-0-0-0-0-0-0-0 Z Z Z Z Z Z Z-0-0-0*0*0*0*0*0-0 -0-0-0-0-0-0-0-0-0-0 Z Z Z Z Z-0-0-0*0*0*0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 -0*0-0-0-0-0-0-0-0-0-0*0*0*0*0*0*0*0*0*0*0*0*0*0*0 Profile for box 6 *** Before averaging *** X Limits 31 to 72 mm, Y limits 0 to 31 mm, Number of reflections in profile 119 RMSBG 24.2 Profile Factor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rofile for box 6 X limits 31 to 72 mm, Y limits 0 to 31 mm Number of reflections in profile 802 RMSBG 13.0 Profile factor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rofile for box 7 X limits 31 to 72 mm, Y limits 31 to 72 mm Number of reflections in profile 208 RMSBG 16.4 Profile factor 0.56 -3-4-4-]-]-]-5*7*4*5*1*4*]*]*]*]-]-]-]-]-4-6-5 -]-]-]-]-0-0-4-4-4-6-1-5-]-]-1-3-]-]-]-]-]-]-0 -]-]-]-0-4-1-5-3-6-9-8-4-2-]-]-0-]-]-]-]-]-]-3 -]-2-2-]-1-0-5-0-1-1-]-2-0-2-]-]-]-]-]-0-5-]-6 -]-7-2-]-]-3-5 0 0 2 3 4 3 ] ] ]-]-]-]-2-5-6-7 -]-1-0-3-]-3 6 5 6 6 9 9 7 4 2 ] ]-]-0-6-3-]-2 -]-]-]-2-1 3 8 9 8 7 8 6 2 A 9 1 ] ]-]-7-2-0-3 -]-]-1-0 5 7 7 6 8 9 9 8 5 8 9 1 ] ] ]-]-]-5-0 -]-]-2-9 G E A 5 4 C H H D 9 5 ] ] ] ]-]-]-2-2 -]-]-2-8 C E G 8 A J Q O L H 8 2 1 ] 1-]-0-2-3 -]-0-A-A 7 B F D I R Z X R L E 9 6 0 1-]-]-]-5 -]-0-]-2 1 9 F E I W Z V S L K E 6 2 2-1-]-0-1 -]-3-6-4 5 9 C B F M P Q Q O M G 6 4 6-]-0-]-0 -2-]-5-9 8 6 6 9 G D K L L L K G A 6 2-]-2-0-2 -]-1-1-7-3 7 8 9 E B G H G E E C A 2-1-]-]-]-0 -]-5-3-3-3-2 4 3 6 8 B D C 9 C 9 8-3-2-5-1-0-] -]-]-]-6-9-2-7 9 7 9 A E 7 3 3 5-]-]-2-]-]-]-] -1-1-]-1-8-3-3-8-A-B-8-9-3-3-]-2-5-]-]-]-2-0-4 -]-]-]-]-1-1-]-1-7-4-1-1-5-4-2-0-]-]-]-]-]-1-] -]-]-]-]-]-]-]-]-3-1-0-3-8-3-0-]-0-5-4-]-]-]-1 -]-]-0-6-2-]-]*]*2*2*0*]*3*A*9*5-3-3-]-]-]-]-] Profile for box 8 X limits 31 to 72 mm, Y limits 72 to 137 mm Number of reflections in profile 383 RMSBG 9.0 Profile factor 0.67 -]-]-1-1-1-3-4-6-5-5-4-3-2-0-]-]-0-]-0-0-0-0-0 -]-]-0-]-]-0-2-3-3-3-1-0-0-]-]-0-]-]-0-]-]-]-] -]-]-0-]-]-]-0-1-2-1-1-0-1-1-]-]-]-]-]-]-0-]-] -]-]-]-]-]-]-0-1-1-0-2-2-1-0-]-]-]-]-]-]-]-]-] -]-]-]-]-]-0-0 1 0 2 3 4 4 2 0 ]-]-]-]-]-]-0-0 -]-]-]-]-]-0 2 2 3 4 5 7 8 7 4 0 ]-0-0-]-0-1-] -]-]-]-]-0 2 3 5 8 A C E G F C 6 2 0-1-0-0-0-0 -]-]-0-1-3 5 8 A D H K N O O K C 4 1-0-]-0-1-0 -]-]-1-3-3 6 9 E J O S U V V R I 7 2-0-]-0-0-0 -]-]-2-4-5 7 A G M Q V X Z Z X O A 3-1-0-]-0-1 -]-0-1-2-5 7 A G L P T W Y Y Y Q C 4-1-0-]-]-1 -]-0-1-3-4 7 B G K O R U V U U N C 4-0-0-0-0-0 -]-]-0-2-3 6 A E I L O P Q Q O J A 2-0-0-]-]-] -]-]-]-1-2-5 8 A D G I J K K I D 6-1-0-]-]-]-0 -]-]-]-0-1-3-5 8 8 A C C C C C 9-4-1-0-]-]-]-] -]-]-]-0-0-2-2-5-5-7-7-7-8-8-6-4-2-0-]-]-]-]-] -]-]-]-]-0-1-1-2-3-3-4-4-4-5-2-1-0-]-]-]-]-]-] -]-]-]-]-]-]-]-]-0-2-2-3-2-2-0-]-]-]-]-]-]-]-] -]-]-]-]-]-]-]-]-]-0-]-1-1-0-0-]-]-]-]-]-]-]-] Profile for box 9 X limits 31 to 72 mm, Y limits 137 to 179 mm Number of reflections in profile 202 RMSBG 18.1 Profile factor 0.40 -]*]*0*]*]*]*]*]*]*A*2*]*]*]*]-]-2-3-6-0-8-3-A -]*]*]*]*]*]*]*]*]*0*]*]*]*]*]-]-4-1-2-4-]-]-2 -]*]*]*]*]*]*]*]*5*]*]*]*]*]*]-]-]-5-6-7-]-]-5 -]*]*]*]*3*5*]*2*2*]*]*]*]*]*]-]-]-]-]-]-]-0-4 -]*]*]*]*2*4*6*6*]*]*]*]*]*]*]-]-]-]-]-3-4-1-] -]*]*0*]*]*]*4-3-]-]-]-]-1-]-]-]-0-]-]-]-4-]-1 -]-]*C*9*2*0 ] ] ] ] ] ] ] ] ] ] ]-4-]-]-]-]-] -]-]-1*6*F A 1 3 4 4 7 2 3 1 ] ] 0 ]-]-]-]-0-6 -]-]-3-7-B B A C D B H E D B 2 1 ] ]-]-]-]-]-A -]-]-6-6-9 C C G J L N O T P D 3 ] ]-]-]-]-]-1 -]-1-A-B-C J F F G O S V Z S G 1 ] ]-]-]-]-3-7 -]-0-9-7-E K G G F N T W V M 8 ] ] ]-]-]-]-2-9 -]-0-C-C-H L H I I M P I D A 6 ] ] ]-]-]-]-3-E -0-5-A-A-J L H L J H K C 7 3 2 0 ] ]*]*]-]-3-9 -]-]-0-8-D-K I M K F D B C 8 1 ] ]*]*]*]*]-0-6 -]-]-]-4-5-C-A-I-L-I-9-5-4-3-]-]*]*]*]*4*6*6-5 -0-]-]-]-2-5-9-M*M*F*4*6*0*]*]*]*]*]*]*]*0*4-6 -2-]-]-]-]-2-A-A*5*0*1*4*0*0*]*]*]*]*6*5*7*]-1 -]-]-]-]-0-]-]-]*]*]*]*]*A*3*]*]*]*2*5*]*]*]-] -]-]-]-]-]-]-]-]*]*0*]*]*4*]*]*]*]*]*]*]*]*3-] -]-]-]-]-]-]-]-]*]*]*0*3*2*]*]*]*]*]*]*]*2*2-0 Profile for box 10 *** Before averaging *** X Limits 31 to 72 mm, Y limits 179 to 210 mm, Number of reflections in profile 115 RMSBG 31.6 Profile Factor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rofile for box 10 X limits 31 to 72 mm, Y limits 179 to 210 mm Number of reflections in profile 788 RMSBG 18.8 Profile factor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rofile for box 11 *** Before averaging *** X Limits 72 to 137 mm, Y limits 0 to 31 mm, Number of reflections in profile 92 RMSBG 27.2 Profile Factor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rofile for box 11 X limits 72 to 137 mm, Y limits 0 to 31 mm Number of reflections in profile 553 RMSBG 12.1 Profile factor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rofile for box 12 X limits 72 to 137 mm, Y limits 31 to 72 mm Number of reflections in profile 199 RMSBG 6.5 Profile factor 0.70 -]-]-0-1-0-]-]-]-]-]-0-]-]-]-]-]-]-]-0-0-0 -]-]-]-1-1-1-0-]-]-]-]-]-]-0-]-]-]-]-]-1-] -]-]-]-0-0-1-]-]-1-0-0-0-0-]-]-]*]*]*]*0*0 -]-]-]-]-]-0-1-3-4-3-2-1-1-0-0*]*0*]*1*1*1 -]-]-]-]-1-2-3-4 3 3 2 4 2-]*1*0*0*]*0*0*0 -]-]-0-2-3-4-2 4 4 3 3 4 3 1*0*0*1*0*0*0*2 -0-]-1-4-5-5 7 8 7 6 5 7 6 4 2*2*2*1*2*2*2 -]-0-2-5-7 A D E G F F F D A 6 5*3*2*1*2*3 *0*1*3*7*A D I M Q R R Q O J E 9*5*4*3*4*6 *0*1*2*7*C H O T X Z Y X V R J C*7*4*5*5*6 *]*1*3*9*F K R U W W W V T Q J B*7*5*6*6*6 *0*0*4*7*C I L N Q Q P P N K F A*6*4*4*5*5 *0*0*3*6*9 E G I J J K J H F B 7*2*1*1*2*3 *]*0*1*4*8 A C D E E E D C A 7 5-2-0-1-0-1 *]*]*0*2*4*5 8 8 8 A A 9 8 7 3-3-2-0-1-]-] *]*]*0*1*2*3*5 5 5 6 6 5 5 4-0-1-0-]-0-]-] *]*]*0*0*]*1*2-2 3 4 3 2 2-1-0-0-]-]-0-0-] *]*]*]*1*]*]-1-1-2-1-1-2-1-]-]-1-0-0-0-0-] *]*]*]*]*]-0-1-1-1-]-]-1-1-0-]-0-0-1-0-]-] -]-]-]-]-]-]-]-]-0-0-0-0-0-1-]-]-]-0-0-0-] -]-]-]-]-]-0-1-2-0-1-0-1-2-1-0-]-]-]-0-1-] Profile for box 13 X limits 72 to 137 mm, Y limits 72 to 137 mm Number of reflections in profile 336 RMSBG 1.5 Profile factor 0.52 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-1-1-1-1-1-1-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-1 2 3 4 4 3 2 1-1-0-0-0-0-0-0 -0-0-0-0-0-1 2 4 6 8 A 9 7 4 2-1-0-0-0-0-0 -0-0-0-0-1 1 3 6 A F K M H 9 4 1-0-0-0-0-0 -0-0-0-0-1 2 4 8 F M U Y S G 6 2-1-0-0-0-0 -0-0-0-0-0 2 4 9 G O W Z T H 8 3-1-0-0-0-0 -0-0-0-0-0 1 4 8 D K O P K C 6 2-1-0-0-0-0 -0-0-0-0-0 1 3 5 8 B E E B 7 4 2-1-0-0-0-0 -0-0-0-0-0-1 1 3 4 5 6 6 5 4 2-1-0-0-0-0-0 -0-0-0-0-0-0-1 1 2 3 3 3 2 2-1-0-0-0-0-0-0 -0-0-0-0-0-0-0-1-1-1-1-1-1-1-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-1-1-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 Profile for box 14 X limits 72 to 137 mm, Y limits 137 to 179 mm Number of reflections in profile 193 RMSBG 7.9 Profile factor 0.56 -]-]-]-]-]-]-]-]-]*]*]*]*]*]*]*]*]*]*]*]*] -]-]-]-0-0-]-1-1-0*]*]*]*]*]*]*]*]*]*]*]*] -]-]-]-]-]-0-]-]-]*]*]*]*]*]*]*]*]*]*]*]*] -]-]-]-]-]-]-0-1-0-0*]*]*]*]*]*]*]*]*]*]*1 -]-]-]-0-0-1-3-4-3-2-0*]*]*]*]*]*]*0*]*]*1 -]-]-0-2-3-5-7 8 8 6 3 1 ] ]*]*]*]*0*]*]*1 -]-0-1-4-7-9 B D D A 6 3 0 ] 0*]*]*0*0*0*0 -]-1-4-6-A E H I I F 9 5 2 0 0 0*0*]*0*0*0 *0*3*6*A*F K O P O K F A 5 2 1 0*]*]*]*]*0 *0*3*8*D*L Q V W U R M G B 5 2 0*0*]*0*0*1 *0*4*8*D*L S X Z Y W R L F 7 2 1*1*0*0*0*0 *0*3*7*C*I P V Y Y X R K E 7 2 1*1*]*]*0*0 *]*2*4*9*D J O T U S M E 8 4 1 0*0*0*]*0*1 *]*1*3*6*8 D G J K J E 9 5 2 0 0-0-1-0-0-1 *]*0*1*5*6*7 9 A 9 9 7 4 2 2 0-]-0-0-]-0-1 *]*]*]*1*3*3*5 5 3 3 2 2 1 1-0-]-0-0-0-0-0 *]*]*]*]*1*1*1*2*3*1-1-1-1-0-]-]-0-0-0-0-0 *]*]*]*]*]*0*0*0*1*1*2-1-0-]-]-]-]-0-]-]-] *]*]*]*]*]*]*]*0*0*0*2*1-]-]-]-]-0-0-0-]-0 *]*]*]*]*]*]*0*]*1*1*2*1-]-]-0-]-0-0-0-0-0 *]*]*]*]*]*]*]*]*0*]*0*0-]-0-0-0-0-]-]-0-1 Profile for box 15 *** Before averaging *** X Limits 72 to 137 mm, Y limits 179 to 210 mm, Number of reflections in profile 82 RMSBG 25.7 Profile Factor 0.27 *R-]*E*P-]-]-]-2-4-]*B*7*B*B*3-]-]*4*E*F*A *H*A*R*5*C*5*6-]-]*9*C*2*A*F*C*7*G*M*Z*I-] -]-]*J*6*M*I*I*5*]*A*B*D*L*N*I*8-]*]*9*N*M *D*D*A*G*D*I*W-]*B*T*H*A*O*T*9*H*7*]*4*4*T *]*8*J*A*]-]*I-]*K*Q*B*I*0*]*1*Z*A*E*W*B*O -]*6*]*A*L*L*4-7-B-H-I-I-4-]-]*Q*6-]*9*]*6 *J*5*]*1*S*Z-D-B-D-2-A-B-A-3-1*H*H*0*G*]*C *Z*G*C*T*P-5 ] ] ] ] ] C I 8 7-P*H*Z*U*P*V -]-]-H-8-G ] ] D 0 ] 6 N 7 ] ] 8*F*W*B*B*J -I-6-7-9-7 ] E W 8 5 A P M 4 3 4*N*Z*X*C*L -Z-9-]-5-] 6 M O A ] K Q T I 3 5*I*D*C*L*L *G*6*]*0*4 H S F B ] N L K J I F*3*]*]*5*D *0*K*G*2*] H T N 7 ] C J D B 4 G-R-J-8-3-H *P*N*]*]*E 7 8 7 ] ] ] 8 ] ] ] H-]-]-8-]-J *G*9*C*]*F ] ] ] ] ] 2 6 ] ] 2 8-]-0-5-G-4 *H*9*4*]*6-9 I 3 ] 4 B ] ] 2 ]-]*]*5*I*4*B *]*5*9*A*]*9-9-2-]-3-]-]-]-3-]*]*]*5*P*5*8 *]*5*]*]*]*]*0-3-]-]-]-]-]-]*]*]*C*2*P*]*] *C*1*]*]*]*]*]*2*8*]*]*]*]*]*]*]*]*]*K*]*] *D*]*]*]*]*]*]*]*]*]*]*]*]*F*]*]*]*]*]*]*] *D*]*]*]*]*]*]*]*]*]*]*]*Q*Y*4*]*]*C*]*]*] *U*0*]*]*8*]*]*]*2*]*A*]*]*5*B*3*]*]*3*8*] *6*]*4*]*]*E*G*]*]*]*]*]*]*]*]*]*]*]*L*J*] Profile for box 15 X limits 72 to 137 mm, Y limits 179 to 210 mm Number of reflections in profile 529 RMSBG 10.3 Profile factor 0.59 *]*]*]*]*]*]*]*]*]*]*]*]-0-]-0*2*2*5*7*8*8 *]*]*]*]*]*]*]*]*]*]*]*]*]*]*]-0*2*4*6*6*7 *]*]*]*]*]*]*]*]*]*]*]*]*]*]-0*1*1*2*4*5*7 *]*]*]*]*]*]*]*]*]*]*]*]*]-]-]*1*1*2*3*5*8 *]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*2*4*4*4*7*A *]*]*]*]*]*]*]-]-]-]-]*]*]*]*]-0*3*5*5*6*A *]*]*]*]*]*]-0-3-4-2-0-]-]-]*]-0*2*4*6*6*A *]*]*]*]*]-1 4 8 9 7 3 1 ] ] 1*2*2*6*8*8*9 *]*]*]*]-2 7 C F G C 7 4 1 0 2 3*4*4*7*8*A *]*]*]-0*8 F K O N K F A 5 2 3 3*4*4*6*7*A *]*]*]*4*E M T W U S O I C 6 3 3*5*4*6*8*A *]*]*]*4*F O W Z Z X U O H 8 4 4*5*4*6*7*A *]*]*]*3*B L S X Y Y U M F 8 3 4*6*5*5*7*B *]*]*]-0*6 D L R T T M F 9 5 2 3*4*5*6*8*B *]*]*]*]*] 6 B F H I C 8 5 3 2 2-3*6*6*9*B *]*]*]*]*]-0 4 5 5 6 4 2 2 3 2-1*3*5*7*9*C *]*]*]*]*]*]*]-]-]-0-]-]-1-2-0-0*3*4*7*8*9 *]*]*]*]*]*]*]*]*]*]-]-]-0-1*]-0*4*4*6*7*9 *]*]*]*]*]*]*]*]*]*]*]*]*]-0-0*1*4*6*7*7*9 *]*]*]*]*]*]*]*]*]*]-0*]*]*]-1-1*4*6*7*6*8 *]*]*]*]*]*]*]*]*]*]-]*]*]-0*1*1*4*5*6*7*8 *]*]*]*]*]*]*]*]*]*]*]*]*]-0*2*3*5*5*6*8*9 *]*]*]*]*]*]*]*]*]*]*]*]*]-1*2*2*4*4*7*8*8 Profile for box 16 *** Before averaging *** X Limits 137 to 179 mm, Y limits 0 to 31 mm, Number of reflections in profile 143 RMSBG 35.1 Profile Factor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rofile for box 16 X limits 137 to 179 mm, Y limits 0 to 31 mm Number of reflections in profile 937 RMSBG 8.3 Profile factor 0.66 -0*0*1*2*0*]*1-1*0*]*]*0*]*0*1-0-]-0-3-1-1-1-1 -]*]*]*]*0*]-]-]-]-]-]-]-]-]-]-]*]*]*]*]*]*]-0 -]-]-]-0-0-1-2-]-]-]-]-]-]-]-]*]*]*]*]*]*]*]*0 -]-]-]-]-]-]-1-1-0-1-1-0-0-]*]*]*]*]*]*]*0*]*0 -0-]-]-]-0-0-1-1-2-4-4-2-1-1*1*]*0*]*0*1*0*0*] -]-]-0-0-2-2-2-3 4 4 4 3 4 3 ]*]*0*1*]*0*]*]*] *0-0-0-2-4-4-5 3 5 5 4 3 4 3 2 1-2*2*]*0*]*0*1 *1*1-0-2-3-5 7 8 A A 9 7 7 6 4 2 1-2*0*1*2*2*4 *]*]*2*2*6 8 C F G J J G G D 9 5 3 2*1*1*2*4*4 *]*0*2*5*9 C G K O S T Q P N I C 8 4*3*2*5*7*2 *2*0*3*4*8 G L Q V Z Z Y V T O I B 7*4*5*7*8*4 *2*]*1*5*B J N S W X X X V S O H B 7*4*7*9*8*5 *3*0*0*4*8 D K N O P Q P P M J D A 6*3*4*7*8*6 *3*1*1*3*8 B F H I J J J I G F B 8 3*2*4*5*6*6 *1*0*]*2*5 9 B D E D D D D C A 8 6 3*1*2*1*4*4 *0*0*]*0*2-5 7 A A 8 9 9 8 8 6 4 3-2-1-1-0*3*4 *1*0*]*0*1*1-5 7 6 5 4 6 4 5 4 1-1-0-]-1-0-0*2 *1*]*]*1*1*]*2*3 2 3 4 3 1 2 2-0-0-]-]-]-1-]-2 *0*]*1*2*1*]*]*1*3-3-0-0-1-1-0-0-2-0-0-0-2-]-1 *]*]*0*1*]*]*1*1*0-1-]-]-0-1-1-]-0-]-0-0-0-]-0 *]*]*0*1*0*]*]*]-]-0-]-]-]-0-]-]-]-]-]-]-0-]-0 -]*]*]*]*]*]*]-]-0-]-0-0-1-2-0-]-]*]*]*]*]*]-0 -0-1-0-1-]-0-]-0*1*]*]*1*]*]*0-0*]*0*2*]*1*0-1 Profile for box 17 X limits 137 to 179 mm, Y limits 31 to 72 mm Number of reflections in profile 247 RMSBG 15.1 Profile factor 0.56 -]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-0-]-]-]-]-3 -]-]-]-]-]-1-4-]-]-]-1-4-2-0-]-]-1-3-]-1*]*]*6 -1-2-4-]-]-]-4-4-]-0-8-1-1-]-]-]-]-]-]*0*1*0*] -2-]-0-0-5-4-6-2-]-4-A-]-1-2-2-]-2-0*6*2*3*1*] -2-2-5-1-9-8 6 2 2 5 4 2 6 7 2 ] 5-C*1*1*1*0*] -3-7-B-7-E 9 B 7 7 A B 9 9 7 7 6 9 5*3*1*0*1*2 -1-4-8-4 5 4 C B G L J D B 9 9 4 ] ]*]*]*4*7*H *]-]-8 2 7 8 H M O U R G G D 9 0 ] ]*]*]*]*7*A *]*]-B 6 9 G N R V W R J I D 8 2 5 0*1*1*1*8*C *5*1*D 5 B T W Q Z V O J H C 7 7 8 1*3*3*3*B*L *5*3*7*7 G R Q M R N K K I D 8 8 A 3 1*3*D*A*K *C*2*5*5*9 I K J K J I G A 9 9 6 8 5 5 5*C*F*P *A*8*A*5*F K L J G D D 8 ] 1 8 8 5 6 A E-M*J*P *7*2*]*E*I D C D D 9 6 2 2 1 0 3 7 8 7 B-C-C*F *2*4*]*A*B 7 9 D B 5 1 0 3 3 ] 4 7 9 0-6-4-C-G *]*]*]*A*A 4 B 9 8 3 ] 0 1 1 3 9 6 2-]-]-2-3-7 *]*0*]*5*5-4 7 6 3 3 2 ] ] ] 0 1 0-0-0-]-7-4-3 *]*]*2*7*2-1-0-1-6-5-]-1-]-1-2-]-2-4-0-3-A-6-5 *]*]*1*3-0-2-3-3-]-2-4-1-]-]-2-0-]-]-]-]-]-]-1 *]*]*]-B-6-1-]-]-]-1-]-]-]-]-]-]-]-]-]-]-]-]-2 -]-]-]-6-1-1-]-]-]-]-]-]-]-]-0-]-]-]-]-]-]-]-1 Profile for box 18 X limits 137 to 179 mm, Y limits 72 to 137 mm Number of reflections in profile 398 RMSBG 9.0 Profile factor 0.51 -]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]*]*]*]*0*0 -]-]-]-]-]-]-]-0-0-]-]-]-]-]-]-]-]*]*]*]*]*0*] -]-]-]-]-]-]-]-1-2-0-0-]-0-]-]-]*]*]*]*]*]*]*] -]-]-]-1-3-2-3-3-3-3-3-3-2-0-]-]*]*]*]*]*]*]*0 -]-0-1-1-4-6-8 8 9 9 8 6 4 1 ] ]*]*]*]*]*]*]*0 -]-1-3-5-7-B D G I I H E A 5 1 ]*]*]*]*]*]*0*0 -]-0-4-6-A E I N S S Q L G 8 2 ] ]*]*0*0*0*0*2 -]-0-3-6 B H M R W X V Q J B 3 0 ] ]*0*0*0*0*2 -]-1-3-6 B J O U X Z X S L C 3 0 0 ]*]*]*0*1*3 *]*2*3*7 C I P U X X U Q K B 4 1 0 ] ]*]*0*2*5 *]*0*3*7*C H N R S R P L F 9 3 0 ] ] 0-1-1-3-6 *]*]*2*4*9 F J M N L J G B 6 1 ] ] 0 1-1-2-3-7 *]*]*1*3*7*A D F G F D A 7 3 0 ] ] ]-0-0-1-2-5 *]*]*]*1*3*6*8 9 9 8 7 5 3 1 0 ] ]-]-]-0-1-2-3 *]*]*]*]*0*1*3 3 3 4 4 2 1 0 ] ]-]-]-]-]-0-1-2 *]*]*]*]*0*]*1-1-0-0-0-]-]-]-]-]-]-]-]-]-]-]-0 *]*]*]*]*]*]*]-]-]-]-]-]-]-]-]-0-0-]-0-0-0-0-0 *]*]*]*]*]*]-]-]-]-]-]-0-0-]-]-]-]-]-]-]-]-0-0 *]*]*]*]*]-]-]-]-]-0-1-2-2-0-0-0-0-0-]-]-]-]-] Profile for box 19 X limits 137 to 179 mm, Y limits 137 to 179 mm Number of reflections in profile 234 RMSBG 15.1 Profile factor 0.38 -8-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-0-]*0*]*6*B*3 -3-]-]-]-3-4-5-]-]-]-]-]-]-]-]-4-7-3*]*5*B*C*7 -]-]-0-5-2-6-]-]-]-]-]-]-]-1-2-6-1-]*]*0*6*3*3 -]-]-8-6-0-3-3-2-2-5-]-0-]-3-1-]-]-]*]*3*5*7*D -]-6-9-1-0-7-6-C-]-4-8-1-2-0-]-]-]-]*]*1*]*1*B -]-3-]-]-2 C F C 7 C E 6 ] ] ] ] ] ]*]*]*1*5*B -3-4-5-6 F F A E H H E 6 ] ] ] 0 ] ]*]*0*8*C*9 -E-D-L I K E G I K L J C 4 ] ] ] ] ] ]*C*E*F*9 -7-F-O P Z T S R J I L J 8 ] ] ] 0 0 5 B*B*C*A -8-9-A M X V S U O I K K 8 ] ] ] 0 2 8 C-C-9-6 -3-7-E M P S P P O R O L E 2 0 0 ] 2 4 4-6-A-8 -]-]-9 B L N J J H M O K D 9 ] 1 1 ] ] 0-5-B-G *0*]*5 0 7 E D J C E E B 8 8 0 2 ] ] ] C-3-3-9 *]*]*]*] 7 4 9 E C 7 2 4 7 3 1 1 ] ] ] 3-7-4-6 *]*]*]*]*4 7 6 7 A 8 4 2 7 3 1 1 ] ] ]-0-7-7-3 *1*]*]*]*8 7 1 2 6 A 5 0 0 ] ] ] ] ]-]-]-2-6-] *0*]*2*]*6-]-]-]-1-7-]-1-]-]-]-]-]-]-]-]-]-5-] *]*3*0*]*]-]-]-]-]-]-2-]-1-]-]-]-4-3-]-]-3-3-0 *]*]*]*]*]-]-]-]-]-]-1-]-1-1-]-]-5-2-]-]-]-1-] *]*]*7*1*]-]-2-]-]-]-0-3-]-]-]-]-4-]-1-0-4-2-] *]*]*0*]*]-]-2-]-0-]-]-]-]-0-]-0-5-]-4-3-5-]-] Profile for box 20 *** Before averaging *** X Limits 137 to 179 mm, Y limits 179 to 210 mm, Number of reflections in profile 139 RMSBG 28.4 Profile Factor 0.00 -]-0-]-]-]-P-]-]-3-]-]-R-L-]-]*]*2*]*]*]*]*]*O -4-]-]-]-]-R-]-]-4-]-1-E-]-]-]*]*6*]*]*]*]*6*0 -]-]-]-]-0-]-4-]-]-]-]-A-]-]-]*]*7*]*]*]*1*2*] -]-]-D-]-L-I-]-]-]-3-K-V-]-]-N*]*T*]*]*]*]*G*7 -]-]-]-J-M-]-]-D-B-F-6-A-3-]-Y*B*G*V*I*]*]*N*] -2-]-]-L-7-]-]-]-K-F-]-]-G-F-F-7*M*O*L*7*]*D*Z -L-B-5-]-]-] ] ] E 7 ] ] ] 0 ] ] 8*B*G*I*]*]*] -0-]-L-C-E 8 J 7 ] ] ] ] ] ] ] 8 H D*K*J*]*6*9 -C-V-Q-] H U Z O ] ] ] ] ] ] B T H ]*]*]*7*C*G -]-4-] ] 0 S Z K 7 D 9 4 0 E T O ] ]*]*]*7*M*9 -9-B-P B ] A T A 5 K Z F 5 ] ] ] ] 5 ] 6*]*3*] *S*N-B K ] 7 9 3 9 N R N 4 ] ] ] ] 2 ] C-1*X*O *H*6*4 ] ] 9 ] ] 2 9 Y I ] ] ] ] ] ] ] 7-]-Z-Z *4*5*Q*]*9 D ] ] ] ] M I ] ] ] ] ] 5 A O-P-I-W *D*P*X*0*] 3 1 ] ] 4 K 2 ] ] ] ] ] ] 3-5-Z-Z-H *7*0*]*C*] ] H 8 ] ] 5 ] ] 4 5 ] ] ]-]-E-Z-Y-] *]*]*]*]*]*] ] 0 3 0 G 8 ] B 2 ] ]-]-]-]-]-8-] *9*]*]*]*4*]*]-]-C-9-P-K-0-]-2-]-]-]-]-]-]-]-] *7*]*]*]*3*]*5*7-A-]-1-1-]-1-7-]-B-U-N-O-E-K-] *M*H*6*]*4*]*1*]-]-1-F-Z-]-]-]-]-]-W-T-S-D-A-G *A*]*D*O*A*1*K*]-J-0-0-I-]-]-]-]-]-A-]-]-4-]-] *]*]*0*6*]*]*Z*]-]-]-]-7-2-]-D-B-6-F-M-9-]-]-] *0*0*]*]*]*]*Z*F-]-]-]-]-B-D-6-F-3-A-]-]-]-]-] Profile for box 20 X limits 137 to 179 mm, Y limits 179 to 210 mm Number of reflections in profile 905 RMSBG 13.0 Profile factor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rofile for box 21 *** Before averaging *** X Limits 179 to 210 mm, Y limits 0 to 31 mm, Number of reflections in profile 96 RMSBG 33.7 Profile Factor 0.00 -]-]-9-Z-P-]-]-I-Z-9-F-O-A-4-3-E-U-]-]-C-]-G-N-O-7 -G-]-B-]-]-]-P-I-Z-Y-]-]-]-0-]-4-D-]-]-]-]-D-D-]-] -]-]-]-0-4-]-T-O-Z-Y-]-0-]-]-]-]-]-]-]-]-]-]-1-]-] -]-0-]-K-8-]-I-I-D-Z-I-]-]-]-]-4-]-]-]-]-F-A-]-0-] -]-]-]-7-0-D-8 P 0 O 8 1 ] 5 A ] ] ]-]-]-A-J-2-P-] -]-]-]-7-]-] ] 7 7 A D R P I ] ] ] ] ]-]-]-B-7-]-] -]-]-]-]-] ] K 2 ] ] 1 0 8 K I A 4 5 8 C-E-F-G-7-A -A-T-B-] ] 3 P 1 ] ] H F F Z N 8 D 7 ] ] 4-2-7-4-] -Z-Z-] ] ] 8 P B ] ] E 9 9 1 D ] ] ] ] 5 A 9-0-V-J -]-X-] ] ] 4 B 5 9 E G 5 0 0 ] ] ] ] D F 9 8-]-]-F -G-I-3 ] ] 7 9 6 ] A L I 5 ] ] 7 2 ] 6 9 N O-]-3-Z -Z-]-] 0 8 4 B G F 5 ] I G ] ] 2 6 ] ] ] ] R-]-1-N -D-]-] ] I ] 4 T N ] ] 5 ] ] ] ] ] ] ] ] ] 7-A-5-] -]-]-Z D ] ] ] ] B ] ] 0 2 ] ] 1 ] ] 3 I R V-T-7-9 -]-]-O ] ] ] ] ] 0 3 ] ] ] ] ] ] ] ] ] G ] ]-M-O-] -W-N-E-D ] ] ] ] ] 2 ] 3 8 3 ] ] ] ] ] 2 E-]-]-7-7 -K-Z-D-G-] ] ] ] ] ] ] K R ] 1 ] ] ] 9 ]-H-]-]-9-Z -]-F-8-]-]-5 ] ] F A Y Q 3 ] ] ] ] 0 5-K-]-]-]-V-M -]-]-I-]-]-]-D 2 I Z L ] ] ] Y P 3 6-]-4-H-F-E-]-0 -]-0-]-S-K-O-]-4-E-0-]-]-]-]-I-2-4-1-]-9-C-Q-2-M-J -M-]-]-A-Z-4-7-0-]-]-]-]-]-]-7-]-]-]-]-]-]-L-A-5-0 -I-A-9-A-Z-]-]-]-]-]-]-I-]-]-E-]-]-]-]-D-1-]-J-Z-A -Z-X-P-P-F-]-]-]-]-F-]-]-6-]-]-5-]-]-6-Z-]-8-H-7-2 Profile for box 21 X limits 179 to 210 mm, Y limits 0 to 31 mm Number of reflections in profile 646 RMSBG 30.4 Profile factor 1.00 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0*0*0*0*0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0*0*0*0*0*0 -0-0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z-0*0*0*0*0*0*0 -0-0-0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z Z Z*0*0*0*0*0*0 -0*0-0-0-0 Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*0*0*0*0*0 -0*0*0-0 Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*Z*0*0*0*0 -0*0*0*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*Z*0*0*0 *0*0*0*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*0*0*0 *0*0*0 Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*0*0*0 *0*0*0 Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*0*0*0 *0*0*0 Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*0*0*0 *0*0*0*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*0*0*0 *0*0*0*Z*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z*Z*0*0-0 *0*0*0*0*Z*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z-0*0*0-0 *0*0*0*0*0*Z Z Z Z Z Z Z Z Z Z Z Z Z Z Z-0-0-0*0-0 *0*0*0*0*0*0 Z Z Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0 *0*0*0*0*0*0-0 Z Z Z Z Z Z Z Z Z Z Z-0-0-0-0-0-0-0 *0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 *0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 -0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0 Profile for box 22 *** Before averaging *** X Limits 179 to 210 mm, Y limits 31 to 72 mm, Number of reflections in profile 160 RMSBG 35.0 Profile Factor 0.05 -]-]-0-]-]-]-]-0-9-]-5-7-G-9-]-]-]-]-]-]-]-]-]-3-] -4-]-]-]-]-]-]-W-G-]-2-D-2-3-2-9-1-]-]-]-3-7-4-]*] -5-]-H-]-K-N-]-6-J-2-]-0-H-D-E-8-4-3-5-]-]-]-]*]*] -4-]-2-J-K-Q-0-8-4-1-6-J-P-D-G-E-3-O-F-M-4-]*]*]*] -E-1-7-1-M-U-]-4-4-5-D-E-2-3-]-]-]-3-4-C-5-]*]*1*9 -J-]-]-]-N-N ] ] 7 C 3 2 ] ] ] ] ] 8 ]-]-]-0*]*D*6 -F-9-6-2-E ] 5 4 G 4 B M 1 ] ] ] ] 5 H ]-]-D*5*2*] -9-A-8-8 5 2 A E E 1 B M 9 8 ] ] ] 6 J 0 ]-C*F*9*] *8-B-2 ] M 4 E M 5 ] 2 4 ] ] ] ] ] 7 A 2 ] D*J*]*0 *B*H-] ] F 1 6 C 8 ] ] 9 5 ] ] ] 9 4 G 2 3 J*J*]*3 *B*H*] ] H L H L A 3 7 D 8 B 1 ] 0 5 B 5 N D*C*]*] *I*M*] ] 0 C ] 7 6 4 0 ] ] J 5 ] ] G 3 ] ] 3-D*7*] *]*C*] ] 4 1 ] 1 1 2 ] ] ] 8 8 4 ] D 2 ] ] ]-]-]*] *E*F*]-] ] ] D U Z B ] ] ] 8 A E 9 3 3 ] ]-]-7-P-Y *2*]*]-0-] ] H U V A 2 ] ] ] 8 6 9 ] 0 0-D-5-M-E-8 *9*L*D-]-]-] 3 B L 4 4 ] ] 0 E 3 ] ] ]-]-S-T-A-3-6 *7*A*G-]-]-]-]-]-7-]-1-3-0-]-8-I-]-]-]-]-]-A-]-3-8 *1*A*7-W-7-]-]-3-]-]-2-M-3-B-]-]-3-]-B-3-]-6-]-]-4 *D*]-K-U-C-]-1-E-]-]-5-]-]-]-3-]-]-0-B-C-D-H-]-]-] *4-]-E-P-X-H-P-B-]-]-A-]-]-]-]-]-]-]-I-J-9-G-5-]-] -2-]-]-]-H-]-]-]-]-]-3-7-0-I-]-]-]-1-A-6-3-3-]-]-4 Profile for box 22 X limits 179 to 210 mm, Y limits 31 to 72 mm Number of reflections in profile 1321 RMSBG 9.5 Profile factor 0.48 -0-]-]-]-]-]-]-]-0-0-]-0-1-]-]-0-0-]-0-]-]-]-]-1-] -1-]-]-]-]-]-]-1-]-]-]-]-]-0-]-]-]-]-]*]*]*]*]*0*] -0-]-]-]-]-]-]-2-2-1-0-1-]-]-]-]-]-]*]*]*]*]*1*]*0 -0-]-]-]-0-2-1-2-2-2-1-2-]-1-]-]-]-]-]*]*]*]*0*0*1 -0-]-]-1-2-5-3-4-4-3-4-4-3-3-0-]-]-]-]-]*]*]*]*1*1 -0*]-1-2-2-6 8 9 9 A A 9 7 5 2 0 0 0 ]-]-]*]*0*2*2 -3*]*2-5-6 7 B E H I J I E A 6 2 0 0 ] 0-0-0*2*4*0 -5*]-1-5 6 A F J O S T R M G 9 3 ] ] ] 0 0-0-2*4*1 *2*]-0 4 7 C I N S W Y W Q J B 4 0 0 ] 0 0 1-2*4*1 *2*0-1 4 7 C K Q U Y Z X T L C 4 1 1 ] ] 1 3-3*5*2 *2*1-2 5 A E K Q U X W V R L C 4 2 2 0 ] 0 3-4*7*0 *2*0-1 3 8 C I N Q S R P M G 9 4 2 1 0 0 1 4-6*9*1 *]*0-0 2 5 A G J M N L J G A 5 3 1 0 1 2 3 5-7*9*1 *2*]-1-1 4 8 A D F G F C A 7 3 1 0 0 1 2 2-2-5*7-2 *2*]*]-0-1 4 6 9 A A 8 7 5 3 2 0 0 0 0 ]-1-2*6*6-1 *2*0*]*]-]-1 2 4 4 3 4 3 2 1 0 0 ] 0 0-0-1-1-2*3-1 *2*]*]*]*]-1-0-2-2-0-1-1-]-]-]-]-]-]-]-0-0-1-0-2-0 *2*]*]*]*]*]-]-0-0-0-]-]-]-]-]-0-1-0-]-0-0-2-1-1-1 *3*]*]*]*]*]*]-]-]-]-]-]-]-]-0-0-0-0-]-]-0-1-1-0-] *2*]*]*]*]*]-]-]-]-]-0-1-2-1-1-0-]-0-0-]-]-0-]-]-] -1-]-]-]-3-]-0-]-]-]-]-]-]-0-1-]-]-0-]-0-]-]-]-1-1 Profile for box 23 *** Before averaging *** X Limits 179 to 210 mm, Y limits 72 to 137 mm, Number of reflections in profile 277 RMSBG 22.4 Profile Factor 0.00 -4-]-]-3-]-]-]-]-]-B-D-]-]-C-A-]-4-1-]-8-]*]*]*]*] -0-]-]-]-8-]-7-P-7-2-]-3-]-9-1-]-3-B-]-]-]*]*H*]*] -2-]-]-]-]-N-5-M-]-]-9-2-]-7-0-]-]-3-]-]*]*9*I*C*9 -]-B-0-1-]-6-2-J-]-]-]-]-]-]-]-]-]-]-]-]*]*4*7*C*1 -]-]-]-5-]-5-A 9 H A D 8 ] ] ] 4 7 ]-]-0*]*]*6*T*A -K-]-8-B-]-] I R F 5 ] ] ] ] 0 A 8 ] ]-1*]*]*K*Z*D -W-E-D-]-] ] E S D ] ] ] ] ] ] 9 8 ] ] ]*]*]*A*4*1 -F-F-7-] ] 0 0 4 ] ] 4 5 C ] ] ] 3 ] ] ] ]*5*7*8*] -2-]-9-] ] 2 ] ] 3 ] ] 1 Z N 0 ] ] ] ] ] 3-J*3*]*5 *4*]-1-7 Z G 4 ] 5 5 0 8 P N ] ] 9 A ] ] 5-L-5*]*1 *A*4*L-9 D 8 C 1 ] E 7 H F 7 ] ] L G ] ] ]-O-L-]-H *]*]*]*] 9 ] ] 0 ] 3 7 ] 4 ] ] ] K 7 ] ] 7-J-H-1-5 *D*7*6*]*] ] ] ] ] 3 E ] 4 ] ] 0 B 5 7 A-B-]-K-1-] *8*7*]*8*6-A ] 4 ] ] 3 7 ] ] ] ] D 8 ]-]-F-W-Z-B-0 *6*2*]*]*I-I-G D ] ] ] ] ] ] ] ] ] 2-2-3-E-I-U-J-] *M*5*3*]*]-H-L-E-B-]-]-]-4-]-0-]-]-1-]-]-7-G-4-]-] *R*B*B*]*]-]-3-9-2-]-]-]-E-]-]-]-I-]-]-]-]-]-]-1-0 *R*]*D*]-]-]-]-]-]-]-3-]-]-]-7-6-0-3-]-]-H-P-J-1-] *D*]*1*]-]-6-]-]-]-]-]-]-C-5-P-7-]-5-]-6-M-E-]-]-] Profile for box 23 X limits 179 to 210 mm, Y limits 72 to 137 mm Number of reflections in profile 1003 RMSBG 11.1 Profile factor 0.48 -1-]-]-]-]-]-]-0-]-]-]-]-]-]-]-]-]-]-]*]*]*]*]*]*] -1-]-]-]-0-0-0-1-1-0-]-]-0-]-]-]-]-]*]*]*]*]*0*]*] -0-]-]-]-]-1-]-0-2-1-0-0-]-0-]-]-]*]*]*]*]*]*]*]*0 -0-]-]-0-2-3-1-4-4-2-3-3-2-2-]-]-]*]*]*]*]*]*]*0*1 -1-]-0-1-1-5-7 8 9 9 A 9 6 4 1 ] ]*]*]*]*]*]*]*1*1 -2-]-2-4-5-6 C E G I I H D 9 5 1 ] ] ]*]*]*]*0*1*0 -2-]-1-4-6 9 F J O S S Q L G 8 1 ] ] ] ]*0*0*0*2*0 *2-0-1-3 7 C I N S W Y W Q J B 2 ] ] ] 0 ]*0*1*2*0 *1*0-1-2 6 C K P V Y Z Y U M C 3 1 0 ] ] 0-1*1*2*0 *1*0*1-4 9 E K P U X Y V R L B 3 1 0 ] ] ]-1*2*4*] *1*]*0-3 8 D I O R U T P M G 9 3 1 0 ] ] 1-2-4*6*1 *0*]*]*1 5 A G K M N M J G B 5 1 ] ] 0 0 1-2-4-6*0 *3*]*0*2*3 7 B E F H G D A 7 3 0 ] ] 0 1-1-1-3-5-1 *1*]*]*]*0*3 6 9 A A 9 8 5 3 1 0 0 ] ]-]-0-2-4-4-0 *2*0*0*]*]*0*3*4 4 4 4 4 2 1 0 ] ] ]-]-]-0-1-3-3-0 *2*0*0*]*]*0*0*1-2-0-1-1-]-]-]-]-]-]-]-]-]-0-]-0-] *2*]*]*]*]*]*]*0-0-]-]-]-0-]-]-]-0-]-]-]-]-0-]-]-0 *3*]*]*]*]*]*]-]-]-]-]-]-]-]-]-]-]-]-]-]-1-0-1-]-] *1*]*]*]*]*]-]-]-]-]-]-1-3-2-1-1-0-0-0-0-0-]-]-]-] Profile for box 24 *** Before averaging *** X Limits 179 to 210 mm, Y limits 137 to 179 mm, Number of reflections in profile 168 RMSBG 27.8 Profile Factor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rofile for box 24 X limits 179 to 210 mm, Y limits 137 to 179 mm Number of reflections in profile 1305 RMSBG 11.8 Profile factor 0.42 -2-1-]-]-]-0-0-0-]-]*]*]*]*]*]*]*]*0*]*]*]*]*1*]*] -2-]-]-]-]-]-]-]-]-]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*] -2-]-]-]-0-]-0-0-]-]*]*]*]*]*]*]*]*]*]*]*]*]*0*]*] -0-]-]-]-]-0-]-0-1-1*1*0*]*]*]*]*]*]*]*]*]*]*0*0*] -]-]-]-0-1-2-2-4-4-2-3-2-2-2-]-]-]*]*]*]*]*]*]*1*] -]-]-0-1-0-4 7 9 9 9 A 8 5 3 0 ] ]*]*]*]*]*]*]*0*0 -1-]-2-5-5 8 C E G I I H C 8 4 0 ] ] ] ]-]-]*1*1*] -3-2-3-6 7 B F K O S S P K E 7 0 ] ] ] ] 0-0-1*2*] -2-0-2 5 8 F K P T W Y W Q I A 1 ] ] ] 0 0 0-1*3*] -0-0-2 4 8 E M Q W Y Z Y U L B 2 ] ] ] ] 0 1-1*2*0 *1*0-3 6 B F L Q V Y Y W S L A 3 0 ] ] ] ] 0-2*5*] *1*]-1 5 9 E K O R U T R N G 8 2 0 ] ] ] 0 2-5-7-1 *1*]-] 3 5 B H K M N M K H B 5 0 ] ] ] 0 3 2-4-6-] *2*]-0-2 3 8 A D F H G D A 7 3 0 ] ] ] 0 1-2-3-5-] *2*]*]-]-1 4 7 9 A A 9 8 5 3 1 0 ] ] ] ]-0-3-4-3-] *2*0*]*]*]*2*3*3 4 4 5 4 2 1 ] ] ] ] ]-]-]-0-3-1-] *3*0*]*]*]*2*0*1-1-1-1-1-]-]-]-]-]-]-]-]-]-]-]-]-] *3*]*]*]*]*]*]*]*]*]*]*]*]*]*]-]-]-]-]-]-]-0-]-]-] *3*]*]*]*]*]*]*]*]*]*]*0*0*]*]-]-]-]-]-]-0-]-0-0-] *1*]*]*]*]*]*]*]*]*]*]*1*3*1*0-0-0-0-]-0-0-]-]-]-] *]*]*0*1*0*]*0*3*0*0*1*]*]*]*0-1-0-0-0-2-2-1-]-]-1 Profile for box 25 *** Before averaging *** X Limits 179 to 210 mm, Y limits 179 to 210 mm, Number of reflections in profile 89 RMSBG 20.9 Profile Factor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rofile for box 25 X limits 179 to 210 mm, Y limits 179 to 210 mm Number of reflections in profile 396 RMSBG 15.6 Profile factor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ist of BADSPOTS INT and SD are the profile fitted intensity and sigma. A,B,C are the background plane constants. M/100 is the degree of partiality (M=0 for fully recorded). XS, YS are scanner coordinates in pixels wrt origin at the first pixel in the image. BADSPOTS will be written to the output MTZ file, but will be flagged and will be rejected by SCALA by default. H K L M XG YG XS YS INT SD BGRATIO PKRATIO PLANE A B C 35 18 -36 21-10252.2 8787.1 2034 1888 153 153 1.4 99.0 0.1 -0.2 66.0 Poor profile fit 42 2 10 66-10201.9 -3321.0 2033 700 -1958 285 1.4 0.0 -0.2 -0.1 111.6 Intensity too negative 37 12 -29 -38-10167.4 6153.4 2027 1630 -1059 197 1.3 0.0 -0.2 0.0 87.3 Intensity too negative 41 5 36 36-10071.4-10127.2 2022 28 -233 173 1.4 99.0 0.0 0.1 59.9 Poor profile fit 34 19 -39 -31-10113.9 9884.6 2020 1995 489 144 1.4 99.0 0.1 0.1 58.0 Poor profile fit 41 4 34 90 -9965.9 -9486.7 2012 92 581 174 1.3 99.0 -0.1 0.0 63.2 Poor profile fit 41 4 33 55 -9958.2 -9149.2 2011 125 311 179 1.4 99.0 -0.1 0.0 66.6 Poor profile fit 34 18 -38 -30 -9967.5 9380.1 2006 1946 -569 149 1.3 99.0 0.1 -0.1 62.1 Poor profile fit 34 18 -37 68 -9916.9 9029.2 2001 1911 -103 153 1.4 99.0 0.0 0.0 66.5 Poor profile fit 41 2 28 -18 -9798.6 -7723.9 1995 266 -1421 202 1.3 0.0 0.0 0.1 80.7 Intensity too negative 33 20 -39 24 -9827.0 9916.9 1992 1998 1218 148 1.4 99.0 0.2 -0.1 58.8 Poor profile fit 34 17 -37 -25 -9828.6 8900.9 1992 1899 576 156 1.4 99.0 0.2 -0.1 67.3 Poor profile fit 33 19 -39 -72 -9723.3 9771.3 1982 1984 457 149 1.4 99.0 0.1 -0.1 61.5 Poor profile fit 33 19 -38 21 -9679.5 9411.5 1978 1949 254 150 1.3 99.0 0.0 -0.1 63.7 Poor profile fit 40 4 36 -80 -9583.6 -9972.0 1974 44 924 172 1.4 99.0 -0.1 0.1 60.4 Poor profile fit 40 4 35 68 -9580.9 -9622.6 1974 78 570 175 1.4 99.0 0.0 0.0 63.4 Poor profile fit 40 4 34 29 -9576.8 -9283.5 1973 112 -398 185 1.3 99.0 0.1 0.2 68.8 Poor profile fit 33 18 -38 -72 -9584.4 9276.2 1968 1935 331 152 1.3 99.0 -0.1 0.0 65.6 Poor profile fit 40 3 34 -23 -9498.6 -9350.0 1965 105 -278 182 1.3 99.0 0.2 0.0 66.7 Poor profile fit 33 18 -37 23 -9539.2 8931.7 1964 1902 861 157 1.3 99.0 0.1 -0.1 67.4 Poor profile fit 33 17 -37 -67 -9452.4 8805.6 1955 1889 1404 161 1.3 99.0 0.1 0.0 69.2 Poor profile fit 35 11 -29 -18 -9387.2 5951.5 1950 1610 -1034 206 1.3 0.0 0.0 -0.1 94.5 Intensity too negative 32 19 -39 78 -9345.8 9665.7 1945 1973 908 153 1.3 99.0 0.0 0.0 63.7 Poor profile fit 32 18 -39 -13 -9253.6 9528.8 1936 1960 451 151 1.4 99.0 -0.1 -0.1 63.5 Poor profile fit 39 4 37 84 -9202.5-10115.6 1936 30 -203 170 1.3 99.0 0.0 0.2 61.0 Poor profile fit 39 4 35 7 -9204.1 -9422.8 1936 98 147 182 1.3 99.0 0.0 0.2 67.1 Poor profile fit 32 18 -38 79 -9213.9 9179.4 1932 1926 16 154 1.3 99.0 0.1 0.0 67.9 Poor profile fit 39 3 34 -82 -9123.6 -9156.7 1928 124 1479 186 1.2 99.0 0.0 0.1 69.7 Poor profile fit 35 9 -25 -92 -9098.5 4773.0 1922 1495 -1188 219 1.3 0.0 0.3 -0.2 110.4 Intensity too negative 32 17 -37 84 -9088.3 8716.9 1920 1881 -91 160 1.3 99.0 0.0 -0.2 72.3 Poor profile fit 31 19 -40 -47 -9012.2 9926.1 1912 1999 358 149 1.3 99.0 0.1 -0.1 62.4 Poor profile fit 31 19 -39 39 -8980.3 9567.3 1909 1964 120 150 1.2 99.0 0.1 -0.1 64.2 Poor profile fit 31 18 -39 -49 -8889.4 9432.7 1900 1951 50 152 1.3 99.0 0.0 -0.2 66.2 Poor profile fit 38 4 38 79 -8827.9-10265.2 1899 15 -452 174 1.3 99.0 0.0 -0.1 63.4 Poor profile fit 31 18 -38 39 -8855.0 9089.2 1896 1917 368 157 1.3 99.0 0.2 -0.1 69.7 Poor profile fit 30 20 -40 7 -8750.1 9971.0 1886 2003 -262 149 1.3 99.0 0.1 -0.2 61.9 Poor profile fit 34 8 -24 -85 -8686.0 4430.5 1881 1461 -1545 229 1.3 0.0 0.2 -0.1 119.1 Intensity too negative 36 3 39 -21 -8011.2-10287.2 1819 13 -1065 189 1.3 0.0 0.1 0.0 68.9 Intensity too negative 30 10 -30 -16 -7748.5 5905.7 1788 1605 -1378 220 1.3 0.0 0.1 -0.2 107.6 Intensity too negative 30 9 -28 -63 -7635.4 5335.4 1777 1549 -1262 225 1.4 0.0 0.1 -0.5 116.1 Intensity too negative 27 17 -39 -68 -7455.2 8989.5 1759 1907 -988 168 1.3 0.0 0.1 -0.1 76.7 Intensity too negative 33 -1 0 -30 -7433.0 -944.0 1759 933 -2239 357 1.2 0.0 0.5 0.2 169.0 Intensity too negative 25 17 -40 -8 -6832.7 9186.5 1698 1926 -1083 213 1.3 0.0 0.1 -0.1 78.6 Intensity too negative 28 -1 -6 -13 -6236.6 304.6 1641 1056 -2817 442 1.3 0.0 1.1 0.2 248.0 Intensity too negative 29 -1 29 60 -5822.3 -6641.6 1601 373 -1952 361 1.3 0.0 -0.3 0.1 116.8 Intensity too negative 29 0 33 42 -5780.1 -7603.8 1597 278 -1303 243 1.3 0.0 -0.2 0.2 103.5 Intensity too negative 27 -2 24 15 -5358.7 -5371.4 1555 498 -2111 401 1.4 0.0 0.2 0.3 144.5 Intensity too negative 27 -1 33 -24 -5179.5 -7454.9 1538 293 -1375 248 1.4 0.0 0.2 0.3 107.2 Intensity too negative 27 1 38 47 -5136.7 -8715.7 1534 169 -1550 233 1.4 0.0 0.1 0.1 92.4 Intensity too negative 24 -2 27 14 -4535.8 -5806.4 1474 456 -2195 404 1.3 0.0 0.3 0.1 147.2 Intensity too negative 14 -2 -4 0 -2968.6 230.1 1319 1049 55744 3017 1.2 4.8 -2.5 0.7 784.6 Poor profile fit 13 -3 2 0 -2631.7 -769.3 1286 951 93256 3465 1.4 4.9 -4.5 -0.3 697.0 Poor profile fit 11 -1 -7 0 -2400.3 830.1 1263 1107 67962 3213 1.3 5.5 -4.7 1.8 580.4 Poor profile fit 15 0 37 21 -2071.3 -7427.0 1232 296 -1382 270 1.3 0.0 -0.2 0.3 124.5 Intensity too negative 9 -1 -6 0 -1968.5 709.5 1221 1095 31377 2189 1.1 5.9 -2.1 0.8 422.6 Poor profile fit 7 -2 24 18 -770.5 -4322.6 1104 602 -2693 460 1.4 0.0 0.1 1.0 311.7 Intensity too negative -5 2 0 0 1063.8 206.3 924 1046 14773 1130 1.4 3.8 0.5 -0.2 328.5 Poor profile fit -7 2 8 0 1707.2 -1028.2 860 925 36519 2270 1.3 5.1 0.9 -0.1 380.7 Poor profile fit -8 3 3 0 1796.6 -156.4 852 1010 67644 2716 1.2 4.3 1.6 0.1 357.5 Poor profile fit -9 3 9 0 2196.7 -1103.9 812 918 48913 1923 1.3 4.1 3.4 -1.5 511.2 Poor profile fit -8 26 -38 -25 2584.4 9810.0 775 1983 -1234 200 1.4 0.0 0.2 -0.2 77.0 Intensity too negative 0 8 49 32 2589.7 -9784.2 774 66 -1445 229 1.5 0.0 0.0 0.2 83.4 Intensity too negative -2 7 46 1 2726.5 -8816.4 760 161 -1716 241 1.4 0.0 0.0 0.1 94.1 Intensity too negative -13 7 -2 0 2894.7 965.0 744 1120 122000 4076 1.5 3.8 2.4 0.8 786.9 Poor profile fit -13 20 -28 55 3310.2 6713.3 704 1681 -2344 393 1.3 0.0 -0.2 -0.2 134.5 Intensity too negative -12 12 42 -15 5517.9 -7434.1 487 297 -1510 293 1.3 0.0 -0.2 0.4 101.6 Intensity too negative -24 15 8 50 6454.0 -32.8 396 1022 -2778 455 1.4 0.0 -0.8 0.4 218.1 Intensity too negative -12 15 49 32 6529.9 -9584.1 387 86 -1428 252 1.4 0.0 -0.1 0.2 74.1 Intensity too negative -14 16 46 -12 7002.0 -8592.6 341 184 -1428 265 1.5 0.0 0.1 0.2 82.8 Intensity too negative -22 35 -29 -9 8032.1 9970.6 244 1997 -421 77 1.3 0.0 0.0 -0.1 62.7 Intensity too negative -19 18 41 -23 8146.2 -7137.6 230 327 -1727 328 1.5 0.0 -0.1 -0.3 88.6 Intensity too negative -23 19 35 -99 8776.2 -5545.8 168 483 -2472 347 1.4 0.0 0.0 0.1 99.9 Intensity too negative -18 20 47 88 8947.0 -9047.4 151 140 122 348 1.4 99.0 0.1 0.1 66.2 Poor profile fit -18 20 48 29 9043.8 -9414.2 142 104 -363 338 1.4 99.0 0.0 0.0 63.0 Poor profile fit -16 21 50 -5 9043.3-10104.4 141 36 503 331 1.5 99.0 0.1 -0.1 57.5 Poor profile fit -19 20 46 56 9090.2 -8735.2 137 170 966 349 1.4 99.0 -0.1 0.1 67.2 Poor profile fit -29 23 11 -19 9170.6 -25.9 131 1023 -2406 372 1.4 0.0 -0.2 0.2 127.2 Intensity too negative -17 21 49 -35 9178.6 -9758.3 128 70 2273 332 1.4 99.0 -0.1 0.1 59.1 Poor profile fit -18 21 47 -4 9214.6 -9053.9 125 139 1009 342 1.4 99.0 -0.1 0.3 62.5 Poor profile fit -17 21 50 82 9277.7-10152.6 119 31 2339 326 1.4 99.0 0.0 0.0 55.4 Poor profile fit -20 21 44 -31 9389.1 -8093.2 108 233 -1961 366 1.4 0.0 0.1 0.0 72.9 Intensity too negative -18 21 49 51 9419.5 -9807.6 105 65 1696 329 1.4 99.0 -0.2 0.0 57.2 Poor profile fit -30 23 11 43 9445.1 2.9 104 1026 -1916 364 1.5 0.0 0.0 -0.2 118.9 Intensity too negative -19 21 47 82 9457.9 -9100.2 101 135 -431 344 1.3 99.0 0.1 0.2 64.5 Poor profile fit -19 21 48 16 9564.1 -9474.3 91 98 -233 329 1.5 99.0 0.0 0.0 60.7 Poor profile fit -17 22 50 -20 9570.5-10172.9 90 29 949 321 1.4 99.0 0.0 -0.1 56.3 Poor profile fit -20 21 46 39 9603.0 -8786.4 87 166 -1445 347 1.5 99.0 -0.2 0.1 66.2 Poor profile fit -18 22 49 -52 9706.6 -9825.0 77 64 1141 329 1.5 99.0 0.1 0.0 55.7 Poor profile fit -19 22 49 35 9959.2 -9880.6 52 58 504 322 1.5 99.0 0.0 0.0 56.8 Poor profile fit -20 22 47 62 9989.4 -9163.2 49 129 1432 333 1.4 99.0 0.2 0.1 58.7 Poor profile fit -18 23 50 -39 10119.0-10253.5 36 22 35 321 1.4 99.0 0.1 -0.1 57.3 Poor profile fit -21 22 46 17 10137.2 -8847.5 35 160 -1671 341 1.4 99.0 0.0 0.2 62.8 Poor profile fit -19 23 49 -74 10256.6 -9903.4 23 56 -916 324 1.4 99.0 0.1 0.0 57.6 Poor profile fit -20 23 47 -50 10276.3 -9179.0 21 127 -1052 331 1.4 99.0 0.0 0.1 60.3 Poor profile fit Calculated detector error factor is 0.31 but input value of 0.07 will be used 8 Reflections with a mean PKRATIO (uncorrected for detector error) of 8.1 have been rejected as outliers in the determination of the detector error 5057 Spots measured on this image 249 are fully recorded, 0 are OVERLOADS 63 Outside active area Reflections "Outside active area" are those with pixel values less than or equal to 0 This value can be changed with keyword NULLPIX. 63 Reflections partially outside the scan have been profile fitted, but these will be rejected by SCALA by default. The intensities of overloaded reflections have been estimated by profile fitting. These will be rejected by SCALA by default, but can be included by using ACCEPT keywords. Analysis of Intensities (Binned on integrated intensities.) SDI is summation integration sigma(I), SDP is profile fitted sigma(I) RANGES -750 0 1250 2500 5000 10000 20000 40000 80000 NO. 509 823 1748 745 415 250 196 138 119 114 BGRATIO 1.3 1.3 1.3 1.4 1.4 1.3 1.3 1.3 1.3 1.4 PKRATIO 1.4 1.4 1.3 1.3 1.4 1.4 1.8 2.6 3.5 3.9 368. 303. 313. 373. 451. 515. 560. 635. 812. 2113. 378. 309. 318. 379. 462. 528. 583. 672. 931. 2182. Maximum Intensity=1336555 Minimum Intensity= -3040 Analysis as a function of resolution. Res (Ang) 3.01 2.13 1.74 1.50 1.35 1.23 1.14 1.06 Overall Profile fitted fully recorded: Number 20 36 58 51 59 22 3 0 249 47264 14693 2672 509 23 267 571 0 6683 2048 919 633 502 458 430 379 0 699 19.0 13.2 3.8 1.0 0.0 0.6 1.4 0.0 4.6 Profile fitted partials: Number 328 630 779 881 902 812 387 89 4808 89965 11817 2126 422 346 257 284 249 8243 1139 561 446 364 314 272 218 186 416 59.2 17.7 4.4 1.1 1.1 0.9 1.2 1.1 7.7 Summation integration fully recorded: Res (Ang) 3.01 2.13 1.74 1.50 1.35 1.23 1.14 1.06 Overall Number 20 36 58 51 59 22 3 0 249 47622 14676 2844 554 233 444 939 0 6829 830 608 459 368 333 321 295 0 448 48.1 21.2 5.6 1.5 0.6 1.2 2.9 0.0 8.8 Summation integration partials Number 328 630 779 881 902 812 387 89 4808 87259 12250 2390 568 528 371 348 276 8244 1139 561 446 364 314 272 218 186 416 57.5 18.4 5.0 1.5 1.6 1.3 1.4 1.4 8.1 Intensity as a function of PARTIALITY %age Recorded 5 10 15 20 30 40 50 IMEAN 5896 4593 11787 4888 8947 15310 5912 SIGMA(IMEAN) 495 424 621 413 562 904 436 NUMBER 670 302 291 218 419 424 327 %age recorded 60 70 80 90 100 FULL IMEAN 7648 8257 8749 5947 9382 6829 SIGMA(IMEAN) 558 512 520 472 603 493 NUMBER 384 369 314 386 704 249 Histogram of rejected points The number of reflections having a given number of background points rejected Number of points rejected 0 5 10 15 20 25 30 40 50 60 70 80 100 125 150 200 0 3 36 191 444 702 6841130 664 439 279 174 204 93 11 3 RFACTOR between profile fitted and summation integration intensities For FULLS 12.6 for PARTIALS 9.3 Analysis of c. of g. shifts for full spots (mm) (Bin size is 74. mm) No. DX DY No. DX DY No. DX DY No. DX DY 0 0.000 0.000 0 0.000 0.000 0 0.000 0.000 0 0.000 0.000 4 0.262 0.098 14 0.052 -0.071 18 -0.289 0.102 4 0.267 0.002 3 -0.019 -0.151 24 0.019 -0.033 29 -0.208 0.073 10 -0.109 -0.009 0 0.000 0.000 0 0.000 0.000 0 0.000 0.000 0 0.000 0.000 Number of bad spots = 94 Number of spots with rejected peak pixels due to poor profile fit= 7 5057 Reflections written to MTZ file with batch number 2 Agreement between symmetry related fully recorded reflections ============================================================ RANGES -750 0 1250 2500 5000 10000 20000 40000 80000 Overall Nobs 0 0 0 0 0 0 0 0 0 0 0 Nhkls 0 0 0 0 0 0 0 0 0 0 0 Rfactor 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 SDratio 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Analysis as a function of resolution. Res (Ang) 3.01 2.13 1.74 1.50 1.35 1.23 1.14 1.06 Profile fitted fully recorded: Nobs 0 0 0 0 0 0 0 0 Nhkl 0 0 0 0 0 0 0 0 Rfactor 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 SDratio 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 5813 Reflections generated: 256 Fully recorded 5557 Partials 553 Overlapped reflections 181 Too wide in phi Number of partials extending over 2 to 4 images 3472 988 257 THERE ARE 8715 REFLECTIONS. "MEDIAN" " " " " ": 2 " NADD is currently............. 3 NIVB is now................... 2 *** For information only. *** PARTIALS INCLUDED IN POSITIONAL REFINEMENT AND PROFILES ======================================================= Because there were rather few fully recorded reflections in the central region of the first image, partials have been included both in the positional refinement and in profile formation. (The minimum number (eg 20) is set by keywords: REFINEMENT NREF 20 ) This is equivalent to including keywords: REFINEMENT INCLUDE PARTIALS 0.50 PROFILE PARTIALS *** Warning messages *** EXCESSIVE NUMBER OF BADSPOTS ============================ At least some images have rather a lot of badspots (Maximum number 94) They are rejected on the basis of: 1) Poor profile fit (PKRATIO >3, controlled by REJECTION PKRATIO). 2) Too large a BGRATIO (too much background variation, controlled by REJECTION BGRATIO). 3) Too large a background gradient (controlled by REJECTION GRADMAX) 4) Intensity negative and more than 5 sigma. Look at the list of badspots to see what category they fall under. Poor profile fit is often the result of changes in ROFF, TOFF or CCOMEGA between successive images when using the ADDPART option. Very intense images can have unusually large gradients, GRADMAX may have to be changed from the default A pixel dump of the BADSPOTS can be obtained using REJECTION PLOT if the reason for their rejection is not clear AVERAGING OF STANDARD PROFILES ============================== Profile averaging has been performed for some of the standard profiles. If possible this should be avoided, eg by accumulating the profiles over more images (BLOCK parameter on PROCESS keyword). Do not attempt to process spots that are not really there ! If profiles are being averaged because the RMSBG is too high, but this is because of diffuse scatter, it is best to increase the maximum allowed RMSBG (default value 20.0): PROFILE RMSBG 25 (for example). ERROR IN DETECTOR GAIN ====================== The ratio of the observed variation in background pixels to that expected statistically (the BGRATIO) lies outside the range 0.9 to 1.1. Actual values: minimum: 1.35 maximum: 1.35 The most likely explanation is that the GAIN of the detector is incorrect. The current GAIN is 0.25 but the observed BGRATIO suggests it should be set to 0.45. NOTE however that diffuse scatter can lead to an increased value of BGRATIO even when the gain is correct. Since the gain for any scanner should remain constant, it should be worked out for a crystal giving strong diffraction and "clean" spots (ie no disorder or diffuse scatter)and kept at this value. Processing data with an incorrect gain will result in a systematic overestimate of very weak reflections and incorrect standard deviations. LARGE ERROR IN YSCALE PARAMETER =============================== YSCALE differs from the default value by a maximum of 0.0015 YSCALE determines the relative pixel size in the fast changing direction in the image. For detectors with equal pixel sizes in X and Y it should be unity. (R-axis detectors are an exception to this). Significantly different values of YSCALE usually indicate errors in cell parameters which are being compensated by changing YSCALE. If YSCALE changes as a function of rotation angle this is almost certainly the reason. Try getting better cell parameters using the POSTREF SEGMENT option. If the images contain a lot of diffuse scatter, then the range of partiality of reflections included in post-refinement should be restricted: eg POSTREF FRMIN 0.4 FRMAX 0.6 to only use reflection between 0.4 and 0.6 recorded. This can improve the cell parameters and give YSCAL values closer to the correct value. POOR PROFILES IN SOME AREAS =========================== For 17 profiles the correlation coefficient with the central profile is less than 0.5. Smallest correlation coefficient is-0.13 Possible reasons are: 1) Very weak diffraction (consider cutting back the resolution) 2) Errors in cell parameters (check DELX, DELY for the standard profiles). 3) Genuine variation due to high obliquity (for example). 4) Presence of zingers or spots from an ice or salt crystal which are much stronger than the protein spots. Sometimes these can be rejected using the PROFILE CUTOFF keywords. A low correlation does NOT necessarily mean that the processing needs to be changed. The image number, profile box number and correlation coefficient for up to the first 6 occurences are: ID BOX CORRLN ID BOX CORRLN ID BOX CORRLN ID BOX CORRLN 2 1 0.47 2 5 0.14 2 6 0.23 2 10 -0.02 2 11 0.06 2 14 0.27 ===> BEST OFF *********** END OF PROCESSING ***************** WRITTEN OUTPUT MTZ FILE Logical Name: process_2_2.mtz Filename: process_2_2.mtz * Title: . * Base dataset: 0 HKL_base HKL_base HKL_base * Number of Datasets = 1 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength: 1 Unspecified ref-trypsin_1 Unspecified 54.6790 57.4021 66.2177 89.3271 89.1080 87.0154 0.93400 * Number of Columns = 18 * Number of Reflections = 5057 * Missing value set to NaN in input mtz file * Number of Batches = 1 * Column Labels : H K L M/ISYM BATCH I SIGI IPR SIGIPR FRACTIONCALC XDET YDET ROT WIDTH LP MPART FLAG BGPKRATIOS * Column Types : H H H Y B J Q J Q R R R R R R I I R * Associated datasets : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * Cell Dimensions : (obsolete - use crystal cells) 54.6790 57.4021 66.2177 89.3271 89.1080 87.0154 * Resolution Range : 0.00367 0.85460 ( 16.507 - 1.082 A ) * Sort Order : 0 0 0 0 0 * Space group = 'P1' (number 1)