************ 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 1 to 1
===> 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 1
The output generate file is process_1_1.gen
The output MTZ file is process_1_1.mtz
*******************************************************************************
5796 Reflections generated:
284 Fully recorded
5512 Partials
0 Overlapped reflections
53 Too wide in phi
Number of partials extending over 2 to 9 images
3856 1008 265 124 73 50 39 30
THERE ARE 8556 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_001.img
************************************************
Processing Image 1 Phi 0.00 to 1.00
************************************************
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: 39
Threshold set to 5.0
Number of spots excluded from possible ice rings: 52
Threshold set to 5.0
Based on a median spot size of 5 by 5 pixels in X and Y, the measurement box
parameters have been set to 17 17 10 5 5
The overall size of the box has been fixed.
To prevent this use keywords PROFILE NOFIXBOX.
Based on a median spot size of 5 by 5 pixels in X and Y, the spot separation
parameters (in X and Y) have been set to 0.71 0.71mm.
Closest possible spot separation is 1.64mm.
5840 Reflections generated:
284 Fully recorded
5556 Partials
264 Overlapped reflections
255 Too wide in phi
Number of partials extending over 2 to 4 images
3648 1004 264
THERE ARE 8672 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
439 Fulls and partials to be measured
7 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: 0.099mm; Weighted residual 0.7
XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST
105.21 105.27 1.0031 116.37 0.9992 27 30
Refined Fiducial constants (mm and degrees)
CCX: -0.02 CCY: 0.06 CCOM: -0.0566
Refinement cycle 2
Repeating refinement using the same list of 60 reflections
60 Spots to be measured
Final rms residual: 0.125mm; Weighted residual 0.8
XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST
105.23 105.39 1.0045 116.54 0.9982 50 29
Refined Fiducial constants (mm and degrees)
CCX: 0.00 CCY: 0.08 CCOM: -0.0723
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: 17 17 10 4 5
This gives 59 pixels in the peak and 205 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 0.92mm in X and 0.71mm in Y
C. of G. SHIFTS = 0.026 -0.011mm Background residual= 3.5 (peak scaled to 255)
-1-2-2-2-3-2*2-3-3-4-5-5-5-3-4-5-5
-2-1-3-2-2-3-2-3-3-3-4-5-5-4-5*6-5
-2-2-2-2-2-3-2-3-3-3-3-4-3-4-5-5-5
-1-2-3-3-3-3-3-3-3-3-4-4-4-4-4-5-6
-2-2-3-3-2-2-3*5*5-4*5-4-4-4-5*6-5
-2-2-3-3-2 3 4 5 6 5 4 4-5-5-5*6-5
-1*1-2-3 3 3 5 8 A 9 6 5 5-4-4-5-5
*0-2-2-3 3 3 7 F P M A 6 5-4-4-5-4
*1-2-3-3 3 4 8 J Z U F 9 6-5-5-5-5
-2-3-3*4 5 5 8 G Q O F 9 6-5*6-6-5
-2-2-2*4 5 5 6 8 B B 9 7 5-5-5-5-5
-1-2-2-2*4 3 4 4 4 5 5 4*5-4-5-5-5
-1-2-2-2-3-3-2-3-3-3-4-4-5-5-5-5-5
-2-2-2-2-2*2-2-3-2-3-4-5*5-5-5-5-5
-3-2-2*1-2-2-3-3-3-4-5-5*6-5-5-4-5
-2-2-2-2-3-3-3-2*2-3-4-5*5-4-4-5-5
-1-1-2-2-2-3-3*1*2-3-4*5-5-4-4*7-6
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.
71 Reflections outside scanned limits on X.
20 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 4
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 20 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 1 spots found in bin 2
ONLY 3 spots found in bin 5
ONLY 1 spots found in bin 6
ONLY 2 spots found in bin 7
Only 47 reflections found (including those from central region
Reducing I/sigma(I) threshold from 10 to 8 and increment from 3 to 2
These reduced values will be used on all subsequent images
These parameters can be set using subkeyword IMIN on REFINEMENT keyword
ONLY 4 spots found in bin 5
ONLY 4 spots found in bin 6
Final rms residual: 0.171mm; Weighted residual 0.7
XCEN YCEN XTOFRA XTOFD YSCALE TILT TWIST
105.22 105.50 1.0049 116.59 0.9971 48 25
Refined Fiducial constants (mm and degrees)
CCX: -0.01 CCY: 0.06 CCOM: -0.1144
104 Reflections outside scanned limits on X.
46 Reflections outside scanned limits on Y.
MAX. No. of Active Reflections= 58
5171 Reflections written to scratch file for integration
Only 0 of the 58 reflections used in CENTRS refinement located in new
generate file
0 of these are fully recorded
5810 Reflections generated:
278 Fully recorded
5532 Partials
332 Overlapped reflections
247 Too wide in phi
Number of partials extending over 2 to 4 images
3571 999 261
THERE ARE 8709 REFLECTIONS.
"MEDIAN" " " " " ": 2 "
NADD is currently............. 3
NIVB is now................... 2
************************************************
Integrating Image 1 Phi 0.00 to 1.00
************************************************
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 21 21 23.9 -0.112 -0.124 78 0.02 0.12 93.1 199.6 142 0 20 0.264
2 0 31 31 72 21 19 29.7 0.127 0.059 97 0.09 0.11 132.6 83.0 152 0 38 0.432
3 0 31 72 137 21 17 36.6 -0.510 0.018 140 0.18 0.00 174.6 103.6 0 0 90 0.607
4 0 31 137 179 21 19 30.9 -0.538 -0.185 83 0.11 -0.09 137.1 171.4 0 0 45 0.190
5 0 31 179 210 21 21 32.7 -0.035 -0.226 67 0.05 -0.11 90.6 96.8 120 0 28 0.306
6 31 72 0 31 19 21 27.1 -0.078 -0.048 109 0.04 0.16 111.5 65.3 126 0 37 0.443
7 31 72 31 72 19 19 12.2 -0.118 0.106 197 0.15 0.43 220.6 51.4 132 0 58 0.144
8 31 72 72 137 19 17 2.1 -0.013 -0.023 426 1.47 -0.10 410.0 12.0 0 0 64 0.981
9 31 72 137 179 19 19 16.9 -0.134 0.052 185 0.27 -0.42 218.5 62.3 0 0 76 0.574
10 31 72 179 210 19 21 30.4 0.058 0.073 115 -0.01 -0.15 107.4 75.4 110 0 29 0.570
11 72 137 0 31 17 21 29.3 0.024 0.113 80 -0.04 0.24 123.0 83.3 132 0 16 0.025
12 72 137 31 72 17 19 13.1 -0.153 0.264 189 -0.33 1.61 346.4 52.6 108 0 38 -0.053
13 72 137 72 137 17 17 2.2 0.033 -0.033 323 0.02 -0.02 750.5 12.1 0 0 22 1.000
14 72 137 137 179 17 19 5.8 -0.086 0.029 192 -0.23 -1.36 347.9 25.1 182 0 32 0.595
15 72 137 179 210 17 21 21.1 -0.094 0.361 67 -0.03 -0.09 112.9 70.7 209 0 30 0.331
16 137 179 0 31 19 21 10.9 -0.917 -0.181 126 -0.03 0.14 110.9 27.8 102 0 20 0.321
17 137 179 31 72 19 19 15.1 -0.199 0.758 217 -0.47 0.47 207.1 56.8 0 0 43 -0.159
18 137 179 72 137 19 17 8.4 -0.223 0.192 359 -1.84 0.15 388.4 94.0 32 0 92 0.226
19 137 179 137 179 19 19 13.3 -0.269 0.051 212 -0.45 -0.44 203.6 38.6 28 0 66 0.213
20 137 179 179 210 19 21 29.9 -0.080 0.246 124 -0.05 -0.17 104.3 79.5 56 0 15 0.439
21 179 210 0 31 21 21 32.5 0.033 -0.197 87 -0.09 0.14 90.8 86.1 74 0 13 0.315
22 179 210 31 72 21 19 31.6 -0.020 0.100 156 -0.14 0.08 132.2 101.1 80 0 26 0.202
23 179 210 72 137 21 17 27.2 0.007 0.013 234 -0.20 -0.03 164.7 86.8 14 0 77 0.670
24 179 210 137 179 21 19 29.0 -0.033 0.091 144 -0.12 -0.12 127.6 90.5 0 0 35 0.399
25 179 210 179 210 21 21 30.4 -0.160 -0.277 83 -0.04 -0.12 85.2 105.3 0 0 16 0.061
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 21 21 14.0 -0.102 0.084 481 0.00 0.01 0.1 63.4 184 0 153 0.253
2 0 31 31 72 21 19 16.8 -0.102 0.091 512 -0.03 -0.03 0.2 71.2 160 0 206 0.259
3 0 31 72 137 21 17 3.3 -0.001 -0.022 746 -0.06 -0.07 0.6 19.5 130 0 237 0.965
4 0 31 137 179 21 19 3.5 -0.008 -0.020 1016 -0.02 -0.01 0.3 22.4 146 0 332 0.957
5 0 31 179 210 21 21 22.2 -0.084 0.037 450 -0.01 0.00 0.1 67.5 142 0 178 0.471
*** 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 19 21 13.7 -0.141 0.103 464 0.02 0.02 0.0 71.3 170 0 131 0.222
10 31 72 179 210 19 21 19.9 -0.077 0.052 434 -0.01 -0.02 0.1 52.3 234 0 163 0.487
11 72 137 0 31 17 21 15.0 -0.076 0.207 504 0.02 0.09 0.2 65.6 201 0 111 0.060
15 72 137 179 210 17 21 13.1 -0.078 0.032 498 0.00 -0.01 0.7 26.2 253 0 106 0.583
20 137 179 179 210 19 21 8.6 -0.101 0.030 822 0.02 0.03 0.0 18.1 256 0 194 0.584
21 179 210 0 31 21 21 18.8 0.015 0.025 369 -0.01 0.00 0.0 59.8 141 0 59 0.529
22 179 210 31 72 21 19 18.8 -0.106 0.101 1179 -0.07 0.10 0.4 193.4 158 0 271 0.510
23 179 210 72 137 21 17 17.2 -0.151 0.133 893 -0.06 0.12 0.5 181.5 96 0 230 0.503
24 179 210 137 179 21 19 14.0 -0.218 0.197 1156 0.00 -0.01 0.1 149.3 92 0 301 0.515
25 179 210 179 210 21 21 40.0 -0.136 0.042 563 0.00 0.00 0.1 106.3 70 0 132 0.547
*** 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
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 78 RMSBG 23.9 Profile Factor 0.02
-]-]-]-]-Y-N-]-]-]-]-]*]*M*]*2*0*]*2*Z*Z*L
-]-]-]-]-F-E-A-]-]-]-]*]*0*Z*P*V*]*R*2*B*]
-]-]-1-J-Z-]-0-]-]-]-]*]*2*D*]*]*L*G*3*W*]
-F-0-]-Z-Z-Z-5-9-]-]-]*]*]*]*4*]*]*D*]*V*I
-K-2-2-Z-Z-Z-H-6-]-]-]*]*]*4*Q*Q*9*R*]*K*Z
-6-]-0-Z-H-J-L-0-]-]-]-]-]-2-N-Z*]*0*]*7*Q
-]-]-]-F-]-7-B-]-]-E-3-]-]-N-S-G-W*9*]*]*]
-]-]-7-6-7-4-B ] ] ] 2 ] ] B-9-]-8*]*E*6*]
-]-]-]-]-8-4 ] ] ] ] ] ] ] ] 4-9-C*]*M*]*]
-]-]-]-]-3-] ] 1 F O O 1 0 ] 3-]-]*]*]*]*]
-]-]-]-]-]-] ] D O Z W B ] ] ]-]-]-]-]-0-]
*]*]*]*]-]-] ] D G B C D ] 0 ]-]-]-]-0-0-E
*]*]*]*]-]-D L Z B G L 5 ] J 4-7-5-]-D-]-C
*]*]*]*]-]-O-B D 3 P V M 5 ]-]-8-Q-8-]-]-C
*]*9*]*]-]-D-]-]-]-]-C-W-]-]-0-]-]-]-]-]-]
*]*F*]*]*]-]-]-]-]-]-2-3-]-8-H-5-K-]-]-]-B
*L*J*Q*]*]*]*]*]*]*2-]-]-]-]-E-Z-J-C-2-W-V
*]*0*Z*2*]*]*]*2*]*G-]-]-4-1-M-S-]-K-3-C-A
*3*6*2*]*5*]*9*]*B*Z-1-]-6-]-]-6-]-7-]-7-N
*]*E*]*N*A*A*4*]*]*]-L-5-W-S-P-0-Z-9-0-I-7
*]*2*9*L*K*Q*]*]*]*]-]-C-Z-T-6-3-P-J-]-]-]
Profile for box 1
X limits 0 to 31 mm, Y limits 0 to 31 mm
Number of reflections in profile 481 RMSBG 14.0 Profile factor 0.58
-]-]-]-0-3-]-]-0*2-]-]*]*0*]*]*]*]*]*1*1*3
-]*]-]-]-]-]-]-]-]-0*]*0*]*]*1*2*]*1*5*4*]
-]-]-]*]-]-]-]-]-]*0*]*0*]*]*1*]*4*4*4*3*2
-2-]-]-]-B-2-0-0-]*]*]*]*]*]*]*]*3*2*3*7*2
-]-]-]-2-B-2-]-0-]*0*]*]*]*0*0*]*]*2*2*3*2
-]-]-0-3-3-3-2-4-3*1*0*]*0*0*1*7*]*]*2*4*3
-]-]-]-1-4-4-6-8-9-A-5-3-1-1-2*1*1*]*]*3*2
-]-]-]-]-5-5-A F H J H A 3 1-2-0*1*3*2*1*]
-]-]-]-0-4-9 F L O S V M A 4 1-]*]*]*3*1*]
-0-]-]-]-5-B J P R X Z S E 4 0-]*]*1*0*0*]
-0-]-]-]-2-A I P O R Q J 8 5 2-]-1-2*]-1-3
*4*1*0*]*]-3 B F D E F A 4 4 3-1-0-]-]-2-1
*]*]*0*]*]-0 6 9 5 6 6 1 1 1 2-0-]-0-2-]-]
*2*]*]*]*]-]-1 1 ] 1 1 ] 0 0-0-1-0-2-]-]-2
*0*]*]*]*]*]-]-]-]-0-0-]-]-]-0-3-1-1-]-0-]
*3*]*]*]*]*]*]*]*1*]*]*]-]-]-]-0-0-]-]-0-0
*3*]*]*]*]*]*]*]*]*]*]*]-1-1-0-0-]-]-]-0-0
*1*]*]*]*]*]*]*]*]*]*]*]-1-0-0-]-]-0-]-0-0
*2*]*]*]*]*]*]*]*]*]*2*2-]-]-]-]-]-]-1-1-4
*]*]*]*]*]*]*]*]*]*]*2-1-0-]-]-1-2-1-1-1-3
*]*1*1*4*]*]*]*1*0*1-2-0-1-2-1-]-]-0-]-]-]
Profile for box 2 *** Before averaging ***
X Limits 0 to 31 mm, Y limits 31 to 72 mm,
Number of reflections in profile 97 RMSBG 29.7 Profile Factor 0.33
-5-2-]-5-D-]-0-B-8-K*0*A*1*]*O*0*]*I*H*]*1
-1-]-]-B-2-C-0-0-B*F*5*A*0*]*P*T*C*G*3*]*G
-5-3-]-]-]-]-]-7-4*3*]*8*]*4*F*0*]*]*7*]*4
-]-]-0-]-]-]-]-]-]*]*]*4*4*8*H*6*]*0*3*A*]
-]-9-5-2-5-]-]-]-]*]*]*]*]*8*A*I*]*]*]*D*9
-]-6-7-B-H-5-2-]-]-5-4-]-1-5-7-7*H*]*B*H*N
-1-0-5-5-7-2-] 2 ] ] B A 9 7-9-0-9*9*H*0*5
-4-K-B-6-2-] 2 9 ] 3 J D 4 D E-2-]*0*6*6*3
-3-L-8-]-3-] 3 8 0 S Z J 9 8 B-]-]*]*B*]*]
-6-7-]-]-2-1 ] ] 4 U Z M 7 4 F-A-4-]-0-]-K
*J*7*3*]-]-] ] ] 5 B I E 3 6 C-8-1-]-]-]-0
*A*]*H*]-]-] ] 2 2 0 7 7 4 1 1-5-6-]-]-]-]
*H*]*B*N-5-]-] ] ] 2 8 ] 6 5-]-8-F-7-3-2-5
*4*]*0*3*6-]-]-]-]-5-]-]-1-5-]-1-A-H-3-A-]
*H*]*F*2*M*]*]*]*9*]*]*]-7-]-4-]-2-]-]-]-0
*9*7*K*J*C*6*7*]*2*]*3*8-M-M-]-]-]-]-]-]-]
*6*5*8*L*7*2*]*5*8*2*]*]-8-8-]-]-0-]-]-]-]
*9*7*6*]*]*]*]*]*]*6*]*5-]-7-]-]-]-]-2-]-C
*]*F*G*]*]*]*]*]*]*]*H-A-0-6-8-6-B-6-3-4-E
Profile for box 2
X limits 0 to 31 mm, Y limits 31 to 72 mm
Number of reflections in profile 512 RMSBG 16.8 Profile factor 0.54
-]-]-]-]-]-]-]-]-]-]*]*3*0*0*4*2*0*4*9*7*2
-]-]-]-]-0-]-]-]-]*]*]*1*0*]*3*2*5*7*5*6*4
-]-]-]-]-A-1-]-]-]*]*]*1*]*]*1*]*4*4*5*6*2
-0-]-]-1-9-2-]-0-]*0*0*1*]*2*2*1*1*2*4*3*0
-1-]-1-3-2-3-1-3-5*2*0*]*1*1*0*5*]*1*6*5*2
-1-]-]-2-3-3-6-7-9-A-6-1-0-0-1*1*4*3*1*3*2
-3-]-0-]-5-6-9 D F J J A 2 1-1-0*0*2*2*2*1
-2-]-]-1-6-B E L O S W N A 4 0-0*0*]*1*1*1
-4-]-0-0-6-B H P T X Z T F 4 0-]*]*2*]*0*]
-2-0-]-]-1-9 G O P R Q K 9 5 1-]-2-1-]-0-3
*3*1*]*]*]-4 B E E F E 9 1 2 2-1-1-]-]-1-2
*]*]*]*]*]-1 7 7 3 5 6 1 ] 1 1-0-0-]-2-0-1
*]*]*]*]*]-0-0 ] ] 1 2 0 0 ]-0-]-0-0-]-0-3
*1*]*]*]*]*]-]-]-]-0-0-]-]-]-0-2-0-1-]-2-2
*2*]*]*]*]*]*]*]*]*]*]*]-]-]-]-]-]-]-]-3-2
*0*]*]*]*]*]*]*]*]*]*]*]-2-2-0-]-]-]-]-2-1
*]*]*]*]*]*]*]*]*]*]*]*]-0-]-]-]-]-1-]-1-0
*]*]*]*]*]*]*]*]*]*]*]*3-]-]-]-]-]-]-]-]-2
*]*]*]*]*]*]*]*]*]*]*0-0-]-]-]-0-1-1-1-2-3
Profile for box 3 *** Before averaging ***
X Limits 0 to 31 mm, Y limits 72 to 137 mm,
Number of reflections in profile 140 RMSBG 36.6 Profile Factor 0.25
-]-]-B-7-R-]-]-]-]-]-]-]-]-]-A-D-1-H-]-F-5
-]-5-8-E-]-]-]-]-]-]-]-C-]-]-C-A-B-]-4-]-]
-E-C-0-1-]-]-3-]-]-0-2-E-]-]-7-5-6-]-1-]-]
-O-C-E-7-]-D-]-]-7-]-]-]-]-]-]-]-]-0-7-]-]
-W-M-K-M-6-]-]-]-0-]-]-]-]-]-]-]-B-N-]-]-]
-Z-Z-R-J-L-G-5 ] ] 6 D ] ] ]-]-]-]-]-]-J-G
-Z-Q-L-L-X-V 6 I E H S I 8 3 ]-]-]-]-]-B-E
-Z-G-N-G-J-M 3 E V T R T 4 ] ]-]-]-]-]-]-4
-R-Q-C-F-1-J 8 A R Z U Z D ] ]-]-]-]-]-]-7
-J-K-I-M-6-M M G S T U M ] ] ]-]-]-]-1-0-8
-]-9-6-6-9-R L 8 A E J B ] ] ]-]-0-]-6-7-C
-]-]-3-]-E-Y-A ] ] A 8 F 2 ]-]-]-]-1-C-N-E
-P-3-]-]-0-2-]-]-]-9-5-8-4-]-2-0-0-C-9-M-S
-L-]-]-]-4-]-]-]-]-]-]-]-D-]-2-]-]-2-T-V-E
-7-]-]-]-]-]-]-]-]-]-]-]-B-G-B-0-]-]-F-R-A
-]-]-]-]-]-]-]-]-]-]-]-]-G-8-C-9-4-K-7-C-4
-]-]-]-]-]-1-E-0-]-]-C-J-K-0-2-A-0-3-]-]-]
Profile for box 3
X limits 0 to 31 mm, Y limits 72 to 137 mm
Number of reflections in profile 746 RMSBG 3.3 Profile factor 0.54
-]-]-]-]-0-0-]-]-0*0*0*0*0*0*0*0*0*0*0*0*1
-]-]-0-]-0-0-]-]-0*0*0*0*0*0*0*0*0*0*0*0*0
-0-]-0-0-0-0-]-0-0*0*0*0*0*0*0*]*0*0*0*0*0
-0-]-0-1-0-0-0-0-0*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
-0-0-0-0-1-2-2 3 4 4 4 2 1 0-0-]-0*0*0*0*0
-0-]-0-0-1-2 4 7 8 A A 7 3 1 0-0-0*0*0*0*0
-0-]-]-0-0-2 5 9 D J N J A 3 1-0-0*0*0*0*0
-0-]-]-0-1-3 6 9 F O Z Z L 8 2-0-0-0-0-0-0
*0*]*]*0-1-2 4 7 B I T X O B 3-1-0-]-0-1-0
*]*]*]*]-0-1 2 4 6 9 E I F 8 2-0-0-]-0-1-0
*]*]*]*]-0-0-1 1 2 4 5 6 6 3-1-0-0-0-0-1-0
*]*]*]*]*]-]-0-]-0-1-2-1-1-1-0-0-0-0-0-0-0
*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
Profile for box 4 *** Before averaging ***
X Limits 0 to 31 mm, Y limits 137 to 179 mm,
Number of reflections in profile 83 RMSBG 30.9 Profile Factor 0.07
-E-]-]-3-]-]-]-]-]-]-]-F-H-2-]-7-6-2-4-8-C
-]-]-]-0-]-]-]-]-]-]-]-]-5-]-]-C-5-3-8-]-5
-F-5-1-]-]-]-]-]-6-]-]-3-]-]-]-C-C-0-]-]-]
-E-D-2-2-]-0-]-]-Z-B-]-]-]-2-]-6-E-]-2-6-]
-E-8-]-4-C-5-]-]-A-D-0-3-0-0-]-]-]-]-5-4-]
-6-6-3-2-N-2-]-]-]-5-1-]-6-3-4-]-0-]-5-G-]
-9-6-8-4-7-5-] ] ] ] ] ] 5 5-5-1-2-]-3-2-]
-8-6-]-1-]-] ] 0 0 0 5 8 2 0 0-]-]-2-]-]-]
-]-0-]-C-]-] 1 8 8 A C C A S C-]-3-7-8-2-5
-3-5-]-2-3-] 4 6 ] 9 E 8 1 2 ]-]-4-B-3-]-]
-]-]-]-]-C-] ] 2 ] ] 3 0 2 ] ]-]-]-5-0-]-]
-]-]-]-]-J-F ] ] ] ] ] ] ] ] ]-]-]-]-0-J-5
-]-]-]-8-L-T-G 7 C B 7 7 ] 4-]-]-]-]-]-5-]
-]-]-4-D-Z-V-G-B-M-G-A-G-]-2-]-]-]-]-3-]-3
-5-6-G-C-4-I-7-0-4-6-3-]-]-6-]-]-]-7-5-]-4
-K-B-B-1-]-]-]-]-]-]-6-]-4-]-]-]-3-K-]-3-1
-E-A-1-]-]-]-]-]-]-]-5-]-B-]-]-]-]-2-]-]-]
-7-5-2-]-]-D-0-2-]-0-1-]-]-]-]-]-]-4-]-D-C
-]-2-]-]-]-8-9-]-]-5-H-]-]-4-2-]-]-]-0-D-E
Profile for box 4
X limits 0 to 31 mm, Y limits 137 to 179 mm
Number of reflections in profile 1016 RMSBG 3.5 Profile factor 0.56
-1-0-0-0-0-0-0-0-]-]-]-]-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*]*]*]*]*]*]*]
-1-]-0-1-0-0-0-0-1-1-0-0-0-0-]*]*]*]*0*0*]
*1*0*0*0-1-1-1-1-2-2-1-1-0-]-]-]*]*0*0*0*0
*1*0*0*0*1-2-3 4 5 5 4 2 1 0-]-]*]*]*]*0*0
*1*]*]*0*1-3 5 7 9 B A 7 3 1 0-0*0*0*0*0*0
*1*]*0*0*1-3 6 A E K O J A 3 1-0*0*0*0*0*0
*0*]*]*0*1-3 6 A F P Z Z K 8 2-0*0*0*0*0*]
*]*]*0*0*1-2 5 7 C I T X O A 3-1*0*0*0*1*0
*]*]*]*0*0-1 3 4 6 A E I F 8 3-1*0*0*0*1*0
*0*]*]*]*0-0-1 1 3 4 5 6 6 3-1-0*0*0*0*1*0
*0*]*]*0*0-0-0-0-0-1-2-1-1-1-0-0-0*1*1*1*1
*1*]*]*]*]*0-0-]-0-0-0-0-0-0-0-0-0-1-1-0-0
*1*]*]*]*]*]*]*]*]*]-0-0-0-0-0-0-0-0-0-0-0
*]*]*]*]*]*]*]*]*]-]-]-0-0-]-0-0-0-0-0-0-0
-0*]*]*]*]-]-]-]-]-]-]-]-]-0-0-0-0-0-0-]-0
-]-]-]-]-]-0-0-0-]-0-0-0-0-0-0-]-]-0-0-0-1
Profile for box 5 *** Before averaging ***
X Limits 0 to 31 mm, Y limits 179 to 210 mm,
Number of reflections in profile 67 RMSBG 32.7 Profile Factor 0.47
-B-]-2-]-]-]-]-M-]-]-]-F-2-]-]-]-]-]-]-8-B
-Y-]-]-C-]-]-]-1-]-]-]-C-B-]-4-G-]-5-G-6-]
-G-D-]-8-]-]-E-]-]-3-6-D-]-]-]-A-]-]-7-9-7
-3-9-W-J-]-0-]-1-]-]-1-]*]*9*0*]*5*9*1*]*]
-A-]-S-1-]-]-]-]-1-5-1*]*]*8*0*]*9*I*]*]*]
-A-]-M-]-]-]-]-]-]-]-1-]-]-8-F-2*F*I*1*]*]
*C*P*Z*]-C-]-]-]-]-]-8-]-]-]-L-J-G*S*0*]*4
*H*G*U*6-1-2-2 K D C 1 ] ] 4-]-2-]*]*]*2*]
*H*]*5*]-]-8 2 I T I ] ] ] 3 0-1-]*]*0*]*]
*G*]*C*8-]-] ] 8 S L A 6 ] B 9-6-]*]*]*]*9
*]*]*0*0-]-] 2 8 I B N S 8 C A-7-3*1*1*]*]
*]*]*7*]-]-C U H D A M K 9 I A-4-]*]*J*I*]
*]*]*]*]-8-N W G N I ] G D J 9-3-6*4*B*]*2
*X*]*0*8-M-P-Z Q 4 5 D K K 9-5-]-]*4*7*]*]
*F*B*P*Z-N-T-V-1-]-3-5-5-Q-5-A-]-6*6*]*]*8
*Z*V*A*1*8-Q-B-1-]-]-B-F-B-1-D-8-7-C-1-]-6
*R*K*]*]*G*E*3*E*]*]-K-R-1-]-2-6-1-2-]-]-6
*8*]*]*]*]*C*]*]*]-]-4-A-]-]-]-3-]-]-]-3-J
-F-2-]-]-]-A-L-]-3-]-8-]-]-4-H-3-]-]-E-]-1
-7-9-]-]-]-0-Y-G-]-L-7-]-]-]-]-]-]-4-A-J-2
-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-D-]-]-E-]
Profile for box 5
X limits 0 to 31 mm, Y limits 179 to 210 mm
Number of reflections in profile 450 RMSBG 22.2 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 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-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 Z Z Z Z Z Z Z Z Z-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 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-0-0*0*0*0*0*0
*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0*0*0*0*0
*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0
*0*0*0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-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 109 RMSBG 27.1 Profile Factor 0.04
-D-2-G-7-]-]-9*R-5-]-]*]*2*]*]*]*]*]*]
*R-I-I-2-]-]-D-G-K-]-]*]*]*]*N*E*]*]*D
-5-C*T-B-E-1-3-]-8-]-]*2*]*1*]*D*]*A*A
-I-H-E-5-6-F-]-]-F-0-]*H*]*]*]*H*]*0*U
-8-]-0-8-1-0-]-]-E-]-]*0*]*]*]*]*3*]*C
-D-3-0-]-]-]-]-]-]-]-]-]-]-8*D*]*]*]*]
-C-6-4-6-]-] 0 ] ] ] ] ] ]-]-1*]*]*]*4
-4-1-]-3-] D M 5 ] ] ] ] 0 9-6*]*P*4*M
-]-]-0-] ] 7 3 4 A 2 5 5 1 6 ]*]*A*Z*W
-]-]-]-] B L ] ] H G G ] ] ] ]*]*]*I*D
-]-]-C-] C K 5 ] N W J ] ] ] ]-]-H*T-K
*6*8*]*] ] 6 A 6 F Z T H G 8 ]-]-A-R-J
*K*D*7*] ] ] J M I A 4 6 ] 8 ]-]-]-D-4
*N*6*]*]-] 0 7 7 4 ] ] ] ] ]-0-2-K-2-4
*C*]*]*3-1-] ] ] 3 ] ] ] 2-2-D-2-6-]-3
*]*]*1*0*]-]-]-2-7-]-]-]-1-0-H-P-5-B-]
*]*]*]*]*]*]*]*5-]-]-]-]-1-]-E-G-E-3-0
*0*1*]*]*0*6*1*1-]-9-]-B-5-M-N-]-]-4-4
*]*]*8*]*]*]*]*]-D-O-]-0-]-]-2-M-6-2-7
*A*6*]*]*]*4*H*]-]-G-]-2-]-]-6-F-4-]-]
*7*2*C*]*]*]*5*9-F-O-]-]-2-2-]-]-]-]-]
Profile for box 6
X limits 31 to 72 mm, Y limits 0 to 31 mm
Number of reflections in profile 464 RMSBG 13.7 Profile factor 0.47
-]-]-1-4-]-]-]*1*]*]*]*]*]*]*]*]*]*]*0
*]-]-]-]-]-]-]-]*]*]*]*]*]*]*0*]*]*0*4
-]-]*]-1-]-]-]-]*]*]*]*]*]*0*]*3*0*1*3
-]-]-1-D-1-1-0-]*]*]*]*]*]*]*]*3*1*2*9
-]-]-4-D-3-0-]-]*0*]*]*]*1*0*]*1*2*1*2
-]-1-4-2-4-4-5-5-3*1*0*0*]*2*6*]*]*1*3
-]-0-1-1-3-7 A B A 5 5 1 0-1*1*0*]*]*1
-]-]-]-4-5 B H K L I C 4 2 2*0*]*1*0*1
-]-]-0-4 A F M R U V O C 4 2 ]*]*0*3*0
-]-]-0-6 D L P U X Z T F 3 ] ]*]*1*]*1
-0-]-0-2 C K Q P R Q J 8 5 0 ]-0-1*0-1
*2*1*]*] 6 D H D G F A 5 4 3 0-]-]-1-2
*]*]*]*] 1 8 B 7 8 7 1 1 2 4 1-]-1-2-]
*]*]*]*]*0 3 3 0 2 1 ] ] ] 1-0-]-0-]-]
*]*]*]*]*0-] ] ] 1 0 ] ] ]-1-4-0-0-]-]
*]*]*]*]*]*]*0*1*1*]-]-]-]-]-1-1-]-]-1
*]*]*]*]*]*]*]*]*]*]*0-1-1-2-2-]-]-]-1
*]*]*]*]*]*]*]*]*]*]*]-1-1-2-1-]-1-1-2
*]*]*]*]*]*]*]*]*0*3*4-0-]-]-]-0-1-2-3
*]*]*]*]*]*]*]*]*1*1*0-2-]-]-2-2-1-0-1
*3*2*4*2*1*0*4*3*3*6*1-1-]-0-0-]-0-]-]
Profile for box 7
X limits 31 to 72 mm, Y limits 31 to 72 mm
Number of reflections in profile 197 RMSBG 12.2 Profile factor 0.52
-]-]-]-]-]-]-]-]-]-]*2*0*]*0*0*0*0*5*4
-]-]-]-]-]-]-]-]-0*0*1*]*]*0*]*3*4*5*3
-]-]-]-2-]-0-1-]-]*]*0*]*]*]*]*3*3*4*6
-]-]-1-3-0-2-2-1-0*1*1*1*1*]*]*1*2*4*2
-]-0-3-3-5-5-8-8-5*3*3*3*1*0*4*0*2*6*5
-]-]-0-3-5-8-B E C 8 6 3-1-2*1*0*0*1*3
-]-]-]-5-7-B G L N K C 5 1-1-0*1*2*1*0
-]-]-1-5-B H N T W Z P C 4 0-0*1*0*0*0
-]-0-2-6 D L S V X Z U H 5 0 ]*1*3*]*2
-1-2-1-4 C L S R Q O I A 6 2 0-3-2-]-1
*1*1*]*1 7 E H E E C 8 4 3 3 2-2-]-]-1
*]*]*]*0-2 8 8 4 6 5 1 0 1 3-0-0-2-1-0
*]*]*]*]-]-2 1 0 0 1 ] 0 1-2-0-]-0-]-0
*]*]*0*]*]-]-] 0 1 0 ] ]-]-1-3-0-0-1-0
*]*]*]*]*]*]*0*1*]*]-]-]-]-]-]-]-]-]-2
*]*]*]*]*]*]*]*0*]*]-]-1-0-0-]-]-]-]-0
*]*]*]*]*]*]*]*]*]*]-]-0-]-]-]-]-1-0-1
*]*]*]*]*]*]*]*]*]*1-3-]-]-]-]-]-]-1-2
*]*]*]*]*]*]*]*]*]-]-0-]-]-]-0-]-1-1-1
Profile for box 8
X limits 31 to 72 mm, Y limits 72 to 137 mm
Number of reflections in profile 426 RMSBG 2.1 Profile factor 0.42
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-]-0
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-]-0
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-]-0-]-]-0
-0-0-1-0-0-0-0-1-1-1-1-0-0-0-]-]-]-0-0
-0-0-0-1-1-1 1 2 2 2 1 0 0-0-0-]-0-0-0
-0-0-0-1-2 3 3 4 4 4 2 1 0 0-]-0-0-0-0
-]-0-0-1 3 4 7 9 A A 7 3 1 0 0-0-0-0-0
-0-0-0-1 3 6 9 E J N J A 3 1 0-0-0-0-0
-0-0-0-2 3 6 A F O Z Z L 8 2 0-0-0-0-0
-0-0-0-1 3 5 8 C I T Y P B 3 1-1-0-0-1
-]-0-0-1 1 3 4 6 A E I F 8 3 1-0-0-0-1
-]-0-0-0-0 1 2 3 4 5 7 6 3 1-0-0-1-1-1
-0-0-0-0-0-1 0 1 1 2 2 2 1-0-0-0-1-1-0
-0-0-0-0-0-0-0-0-1-1-1-0-0-0-0-0-1-0-0
-0-0-0-]-0-0-0-0-0-0-0-0-0-0-0-]-0-0-0
-0-0-0-0-0-]-0-0-0-0-0-0-0-0-0-0-0-0-0
-0-0-]-]-]-]-0-]-0-0-0-0-0-0-0-0-0-0-]
Profile for box 9
X limits 31 to 72 mm, Y limits 137 to 179 mm
Number of reflections in profile 185 RMSBG 16.9 Profile factor 0.47
-2-3-4-4-0-1-]-]-]-]-]-]-0-]-]-]-1-1-4
-4-4-0-5-0-]-1-0-]-]-]-1-]-]-]-]-0-]-]
-]-2-4-A-4-]-]-0-0-0-0-]-0-1-]-]-]-]-2
-]-]-7-5-5-]-1-3-]-0-]-0-4-]-]-]-0-1-]
-]-]-7-7-A-5-4-4-4-3-]-]-0-]-]-]-2-2-0
-4-0-7-8-C-D B B 8 3 0 ] ]-]-]-]-]-]-]
-0-]-1-8-C F F J H 9 2 ] ] ]-]-]-]-]-]
-]-]-]-5 D G M P R I 6 3 3 ] 1-]-1-]-]
-]-0-0-4 C I O T Z X I 8 4 2 2-]-2-1-]
-]-]-0-1 8 D F L W X J 7 5 1 ]-]-]-1-3
-]-]-]-2 4 6 7 C J K D 6 4 3 1-2-]-]-9
-]-0-3-1 1 3 4 8 D B 5 4 2 3 1-2-3-]-0
-]-2-1-]-] 3 4 6 8 7 3 4 3 2-0-]-4-0-4
-]-]-]-0-]-0 1 0 1 3 2 2 2-0-]-4-5-4-A
-]-]-]-]-]-]-]-]-]-]-]-]-1-1-]-7-7-1-3
-]-]-1-]-]-]-]-0-]-0-0-0-0-3-6-8-6-]-]
-]-]-]-]-]-]-0-3-1-]-0-]-3-4-6-7-5-]-]
-]-0-]-]-]-]-]-4-]-]-]-]-1-5-4-2-]-]-1
-]-0-]-2-6-5-3-2-3-]-1-1-1-5-]-]-1-0-0
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 30.4 Profile Factor 0.50
-]-5-5-]-A-]-]-C-6-2-0-]-]-7-B-]-A-4-]
-]-]-6-6-G-1-9-]-]-]-]-]-]-0-N-I-C-4-E
-0-1-1-]-1-3-E-]-]-]-]-]-]-0-G*H*L*7*E
-2-D-E-A-6-4-1-6-]-]-0-]-]*]*4*3*L*]*B
-]-]-0-5-]-]-5-B-]-1-8-D*3*]*K*3*8*6*8
-]-]-]-1-]-] ] C 6 1 5 1 9-D*B*4*H*I*E
*3-]-G-G-3 3 6 C G 9 3 ] 9 C-]*2*0*2*2
*]*0*8*D 7 9 I G F B 6 A C D B*3*]*]*7
*6*]*F*2 0 7 5 5 K H C I G F F*]*]*L*6
*]*]*3*D 2 4 0 6 I H G 8 6 5 G*9*]*L*2
*]*]*]*3 A C E M K R G 5 6 8 9*K*F*G*A
*]*]*0*3 7 G G K Q Z L B B E 7*A*O*L*S
*]*]*1*] ] 1 0 4 A M E C 8 9 C*C*M*7*K
*]*5*4*] ] ] ] 4 5 5 7 4 ] ] C*1*]*]*P
*4*5*]*]-] ] ] ] 2 0 2 0 1 7-C-F-]-]*7
*0*]*7*1*2-1 0 6 ] 1 ] 7 ]-0-]-]-2-3-]
*3*]*]*]*]*]*]-A-5-A-0-O-8-0-2-]-]-]-]
*0*]*]*]*]*]-]-6-5-]-]-5-]-1-7-]-]-]-4
*]*]*]*3-8-]-]-B-5-7-3-4-7-7-]-]-]-]-H
-1-]-]-]-4-2-]-]-]-4-7-A-]-4-]-]-0-5-9
-2-]-1-G-M-3-]-]-0-A-F-B-]-6-7-3-]-1-6
Profile for box 10
X limits 31 to 72 mm, Y limits 179 to 210 mm
Number of reflections in profile 434 RMSBG 19.9 Profile factor 0.50
-]-2*3*2*4*1*3*5-2-1-2-]-]-]-]-1-0-3-2
-0-0*6*6*5*4-1-]-]*]-]-]-]-]-]-]-3-4-7
-5*4-1*2-]*1*3-]-]-]-]-]*]*]-]*]*2*2*3
-0*6-6-9*4*]-]-0*]*1*1*0*2*2*1*0*3*2*3
-]-0-6-4*3-]-1-5*0*3*3*3*6*0*2*]*3*3*]
-]*]*6-6-4-1 2 6 5 4 0 1 2*1*]*0*7*6*2
*6*3*A*D*A 9 8 A 8 5 2 ] ] 1*]*0*4*2*]
*0*2*3*8*C D G J G 8 3 0 2 0*2*]*]*]*]
*]*]*3*5 B E J N R H 7 6 5 2 5*0*3*4*]
*]*1*3*5 9 F K Q Z W K 9 6 5 7*0*3*5*]
*]*]*3*2 9 C F M X Z L 7 6 5 4*2*3*5*3
*]*1*0*2 3 8 9 E N P G 7 7 8 4*5*4*5*E
*]*1*4*2 1 5 5 9 E E 8 6 4 7 6*7*9*3*2
*]*1*2*]*] 5 6 6 7 8 7 6 2 4*3*0*5*1*7
*]*]*]*2*0 2 0 ] 1 4 4 5 2 2*]*6*5*3*9
*]*]*]*]*]*] ] 0 ] 0 0 2 0*3*]*6*8*4-0
*]*]*]*]*]*]*]*0*]*4*2*5*2*4*8*8*7*]-]
*]*]*]*]*]*]*1*4*2*]*]*0*3*4*8*5*2*]-]
*]*]*]*]*0*1*0*7*1*]*0*]*2*7*3*]*]*1-2
-]*0*]*0*5*7*2*3*5*4*3*4*3*5*0*]*2*4-2
-]*1*]*3*6*1*]*0*4*4*8*8*3*5*7*7*2*3-3
Profile for box 11 *** Before averaging ***
X Limits 72 to 137 mm, Y limits 0 to 31 mm,
Number of reflections in profile 80 RMSBG 29.3 Profile Factor 0.28
-]-8-H-4-B-]-3*]*]*]*]*]*]*7*8*]*]
-]-2-5-B-B-]-]*]*]*]*]*4*]*]*]*]*]
-F-Z-V-I-C-]-4*5*1*]*8*C*J*]*5*]*]
-P-6-0-]-]-5-]*]*2*7*N*I*R*N*7*]*2
-G-D-0-]-]-]-]*]*]*7*J*K*M*O*P*K*6
-2-A-]-]-0 ] ] ] 8 ] ] 7*Q*D*4*]*0
-8-8-]-] 9 7 2 3 8 D ] ] ]*0*8*]*]
-7-0-]-] ] J L O 8 V H M H*7*]*]*]
-]-]-]-7 1 A F D B Z U K O-]*]*9*F
-]-]-4-3 4 ] C L Q K F 0 ]-]-]-]-]
-]-]-]-J A 3 ] E P A 7 0 ]-]-]-]-M
-6-]-]-6 9 ] ] H M B G A C-]-]-4-E
*]*2*]-] ] C B N A 0 3 6 L-D-B-6-]
*]*]*]*] 4 9 ] 7 ] ] ] ] ]-5-4-]-]
*]*]*4*B 3 ] ] 0 ] ] ] ] ]-C-4-4-]
*]*5*4*]*] ] 3 6 B K G ]-]-9-L-C-C
*]*]*D*G*]*]*]*7*H*V-D-C-I-O-M-]-]
*]*0*O*L*8*]*]*D*0*3-1-6-E-O-E-3-5
*I*J*K*2*]*]*]*I*]*C-5-]-]-1-C-E-J
*X*3*5*D*]*I*4*N*]*]-E-]-]-E-1-]-]
*0*]*T*J*]*M*H*H*S*]-]-]-]-5-]-]-]
Profile for box 11
X limits 72 to 137 mm, Y limits 0 to 31 mm
Number of reflections in profile 504 RMSBG 15.0 Profile factor 0.45
*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]
*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]
*]*2*2*1*]*]*]*]*]*]*]*]*]*]*]*]*]
-1*2*6*6*H*8*5*2*0*]*]*]*]*]*]*]*]
*0-3-7-A*E*A*9*8*5*0*]*]*]*]*]*]*]
-]-]-3-B*L*J C D C 6 2*0*]*]*]*]*]
-]-]-0-A M M L M L F 8 4*0*]*]*]*]
-]*0-1-C M U X Y V Q G A 1*]*]*]*]
-]*]-]-8 I R W Z Y W O E 4*]*]*]*1
-]-]-]-2 E K O T T S L A 2-]*]*]*]
-]-]-]-0 B F F K K I B 4 0-]-]-]*]
*]*]*]-] 3 8 8 B C A 6 3 1-0-]-]-]
*]*]*]*] ] 4 4 5 4 3 1 1 2-]-]-]-1
*]*]*]*] ] 1 1 2 ] 0 ] ] ]-]-]-]-]
*]*]*]*]*] ] ] 0 ] ] ] 1 1-0-0-]-]
*]*]*]*]*]*] ] ] ] 0 0 1-1-1-3-0-]
*]*]*]*]*]*]*]*]*]*0-1-3-4-4-3-1-1
*]*]*0*]*]*]*]*2*3*1-4-7-7-4-2-0-0
*0*1*]*]*]*0*1*5*2*1*4*3*0*3*5*5*5
*1*]*]*]*0*2*0*2*1*3*6*3*5*9*8*4*3
*3*4*2*0*3*3*4*4*5*3*1*0*3*1*]*]*]
Profile for box 12
X limits 72 to 137 mm, Y limits 31 to 72 mm
Number of reflections in profile 189 RMSBG 13.1 Profile factor 0.35
-]-]-]-]-]-]-]-]-]*]*]*]*]*]*]*]*]
-0-1-2-1-]-0-0-]-]*]*]*]*]*]*]*]*]
-1-3-7-8-6-6-6-4-3*0*]*]*]*]*]*]*]
-0-4-8-C-D C A 8 8*4*1*]*]*]*]*0*]
-]-]-5-D J J E G F*A*7*3*0*]*]*0*0
-]-0-4 C N N N O O H C 6*2*]*]*0*]
-]-1-2 D N T X Y X R I A 2*]*]*0*]
-]-]-0 9 J S W Z Z W O F 5*]*]*]*0
-]-]-] 2 E M O Q R Q L D 5 0-]-]*]
-]-]-] ] 9 F F H G G C 6 2 1-2-]-]
*]-]-] ] 2 7 7 8 8 8 5 3 0 1-]-]-]
*]*]*]*] ] 2 2 2 4 3 2 2 1 ]-]-]-0
*]*]*]*] ] ] 0 0 0 1 ] 1 0 ]-]-]-]
*]*]*]*]*] ] ] ] ] ] ] 0 1 ]-]-]-]
*]*]*]*]*]*]*]*] ] ] 0 1 0-]-0-0-]
*]*]*]*]*]*]*]*] ] ] 0 0-1-0-0-0-0
*]*]*]*]*]*]*]*0-1-0-2-3-3-0-0-0-0
*]*]*]*]*]*]*]*2-0-]-1-0-0-2-2-1-2
*]*]*]*]*]*]*]*]-]-2-3-2-3-5-4-2-2
Profile for box 13
X limits 72 to 137 mm, Y limits 72 to 137 mm
Number of reflections in profile 323 RMSBG 2.2 Profile factor 0.41
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-]
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-]-]-]
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0-0-0-0-0-0-1-1-1-0-0-0-0-0-0-0-0
-0-0-1-1-1 1 2 2 1 1 1 1-0-0-0-0-0
-0-0-1-2 2 3 3 3 3 2 1 1 1-0-0-0-0
-0-0-1 2 3 5 8 9 8 7 4 2 1 0-0-0-0
-0-0-1 1 3 7 C G K J A 4 1 1-0-0-0
-0-0-1 1 3 7 C J T W L 9 2 1-1-1-0
-0-0-1 1 2 5 8 F Q Z U E 4 1-1-1-0
-0-0-0 1 1 2 4 8 F M M C 4 1-1-0-0
-0-0-0-0 1 1 2 3 6 7 7 4 2-1-1-0-0
-0-0-0-0-0 0 1 1 2 2 2 2-1-1-0-0-0
-0-0-0-0-0-0-0-1-1-1-1-1-1-0-0-0-0
-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0-0-0-]-0-0-0-0-0-0-0-0-0-0-0-0-0
-]-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 192 RMSBG 5.8 Profile factor 0.57
-]*0*0*0*0*0*]*0*0*1*1*0*1*]*0*0*0
-0*]*0*1*0*0*]*0*]*]*0*]*]*0*]*]*]
-1*]*0*0*2*0*0*1*0*1*1*]*]*]*]*]*]
-]*]*]*1*3*3*2*2*1*1*0*0*0*]*0*0*]
-0*]*0*1*4*5*4*3*2*0*1*2*0*]*]*2*0
-]*0*3*4*5 8 A 9 7 4 2 1*]*]*0*0*0
-0-0*3*6 8 D I I E 9 5 2 1-]-]-0-1
-0-1-5 8 B I O R M E 7 2 1 0-]-0-0
-]-1-4 7 C J Q V V L 8 3 2 1-]-]-0
-]-1-2 6 B I Q X Z P B 4 3 0-]-]-1
-]-0-1 5 9 E M T V M A 3 2 1-0-0-0
-]-]-0 2 5 8 E J L G 8 2 1 2-1-0-]
-]-0-]-1 2 4 8 B B 9 5 2 1*1*1-2-2
*]*]*]*]*0 0 3 4 4 4 3 2*3*1*0*0-1
*]*]*]*]*]*]*0*1*1*0*0*]*0*0*0*0-1
*]*]*]*]*]*]*]*]*]*0*1*1*2*1*1*1-1
*]*]*]*]*]*]*]*]*0*1*2*2*1*0*1*]-]
*]*]*]*]*0*]*]*]*0*1*0*1*2*1*0*0-]
*]*]*]*]*]*]*]*]*0*0*0*]*]*0*0*]-]
Profile for box 15 *** Before averaging ***
X Limits 72 to 137 mm, Y limits 179 to 210 mm,
Number of reflections in profile 67 RMSBG 21.1 Profile Factor 0.73
-1*C*O*O*E*D*A-5-3-]-]-0-]-]-4-]-9
-]*C*H*R*O-4-]-6*9-4-2-8-]-]-]-]-A
*7-3*7-2*A*8-2-3-]-]-5*D*9-5-]-]-4
*7-]-5*7*A-5-]*9*8*D*G*B*A*D-5-0*H
-1-2-3*B-2-]-6*9*K*M*E*C*B*L*B-5*I
*5*E-3-]-]-]-9-A-F-F-H-4*M*9-0*9*C
*9*N*U*6-] ] 5 1 7 K I 8-I*8-6*O*I
*8*E*A*D 0 3 C ] 1 9 F D I*R*A*G*7
*9*J*D*5 9 0 9 F C C G 8 B*I*G*O*J
*G*O*F*D B 7 9 T P O C A K*P*8*N*L
*G*S*L*N 5 7 C Z U F 6 A L*N*C*H*B
*L*Q*G-] 2 8 E U U C 7 E P*M*P*L*J
*M*O*H*8 C D G H N D 6 B S*T*U*R*J
*5*C*C*E C F E 9 G O D 6 J*M*H*U*G
*4*9*I*H-M I 8 A J O K A-E*E*8*H*K
*K*3*B*3*E-K-G-3-C-H-I-9*E*H*F*I*R
*B*D*D*K*S*M*B*3*K*D*O*I*E*Q*R*T*M
*C*0*7*N*P*U*U*I*P*O*Q*J*G*O*O*N*J
*N*8*D*J*Q*S*U*S*W*U*S*9*G*G*B*J*T
*P*9*D*B*L*L*Y*Z*Z*T*X*X*F*U*E*M*U
*N*C*D*I*P*K*T*W*M*W*V*T*T*W*S*Y*W
Profile for box 15
X limits 72 to 137 mm, Y limits 179 to 210 mm
Number of reflections in profile 498 RMSBG 13.1 Profile factor 0.56
-0-0*]*1*]*]*0-0-0-]-]-]*]*]*]*]*0
-]*]*]-0*0*]*]*]*]*]*]*]*0*]*]*]*]
*0*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]
-0*]*0*0*1*]*]*0*]*0*1*]*]*]*]*]*]
-]*]*]-0*2*2*2*1*1*1-0*]*]-0*]-0*]
*]*]*]-0*2-3-3-2-2-]-1-1*0*]*]*1-0
*]*]*3*3-4 7 9 8 6 4 1 0-0*]*]*0*0
*]*]*2*4 6 C H H D 8 4 1 1*]*]*]*0
*]*1*3*6 9 G M Q M D 6 2 0*0*]*0-0
*]*0*3*5 A H O V V L 7 2 1*2*]*]-0
*]*1*1*6 9 G O W Z O 9 3 2-0*]*]*1
*]-0*1-4 8 D L T V L 9 2 2*0*]*0*0
*]*]*]-0 4 7 C I L F 7 1 1*2*0-0*]
*]*]*]*] 0 3 7 A A 9 4 1 1*0*1*1*1
*]*]*]*]-] 0 2 3 4 4 2 1-2*0*0*0*0
*]*]*]*]*]-]-]-0-0-]-]-]*]-0*]*0*1
*]*]*]*]*]*]*]*]*]*]*1-0*1*2*0*0-0
*]*]*]*]*]*]*]*]*]*]*2*1*0*0*]*]*]
*]*]*]*]*]*]*0*]-0*1-0*0*2*0*]*]*]
*]*]*]*]*]*]*]*]*1*0-0*]*]*0*]*]*]
*0*0*1*1*]*]*]*1*1*1*1*]-0*0-0*]-0
Profile for box 16
X limits 137 to 179 mm, Y limits 0 to 31 mm
Number of reflections in profile 126 RMSBG 10.9 Profile factor 0.05
*F*I*7*]*7*9*]*7*B*9*2-8-6*L*L-]-6-7*]
*7*E*C*E*9*P*]*]*F*4*]-5-6-]-]-]-]-1*]
*B*5*8*D*B*X*8*]*3*0-3-]-7-]-]-]-1*J*D
-2-2*C*H*G*Z*Z*S*L-4-5-]-4-4-]-]-8-D*9
-]*C-9-8-A*Z*Y*X*Q-5-]-]-]*M-4-]-6-6*D
-2-3-4-3-3*Z*U-A-2-]-]-]-]-4-]-9-]-]*B
-]-]-]-]-8 E 5 0 1 ] ] ] 3 3-4-]-]-F*5
-]-3*H-C 8 1 ] ] 0 ] ] ] 1 ] 8-6-0-C*B
-E-9*T 8 ] ] ] ] 0 ] ] ] ] ] ] 2-2-8*G
-0-0 O C ] ] ] 0 C D 6 0 ] ] ] ] 0-]-8
-0-] I I B 7 ] 5 M L G ] ] ] ] 0 1-3-]
-]-] Z S N E 8 5 J L 9 ] ] 0 7 4 ]-]-]
*4-A*P E O F 6 4 A ] ] ] ] ] 4 ]-B-B-]
*6-7-9-A C B 6 9 B ] ] ] ] ] 2-5-0-G-D
*1-1-C-9-9 4 ] ] 7 0 2 1 3 ]-]-]-0-]-0
*]-]-3-C-6-9-]-]-4-]-]-]-2-8-0-]-]-]-A
*]-]-3-8-9-]-]-]-]-]-]-]-6-H-B-]-]-6-A
*]-]-]-5-B-1-]-]-2-]-0-]-F-C-1-5-]-]-6
*]-B-D-3-6-J-D-B-1*]*]*D*K*2*]*5*E*C-F
*9-8-]-]-]-]-]-]*0*]*]*A*7*E*9*I*5*0*]
*]-0-]-]-]-6-]-]*]*]*6*1*]*C*]*]*]*]*]
Profile for box 17
X limits 137 to 179 mm, Y limits 31 to 72 mm
Number of reflections in profile 217 RMSBG 15.1 Profile factor 0.07
-5-5-9-H-]-]-5-]-]-]-1-0-]-]-0-7-2-8-]
-1-3-2-C-0-4-0-F-E-]-4-3-]-]-6-3-]-B-2
-]-]-]-9-C-O-L-M-G-]-1-A-6-4-]-]-1-]-]
-]-]-]-9-P-V Z Q E 9 5 9 2-]-]-]-]-]-]
-]-0-]-A-R-W Z U I 4 3 ] ]-]-]-]-3-]-]
-]-]-6-7-F-L M N E 8 B ] ]-]-]-0-9-]-0
-]-]-]-3-7-C 9 C C 8 A 2 ]-]-]-]-9-4-]
-]-]-]-]-]-] ] ] 6 7 1 ] 1-0-]-]-]-1-]
-]-]-]-]-]-] ] ] A 9 8 ] ]-1-]-]-2-]-]
-]-]-]-]-]-] ] 0 2 0 8 3 2-4-]-]-2-]-]
-]-]-]-]-2-] ] ] 0 ] 2 0 5-7-5-6-7-1-2
-]-]-]-]-]-] ] ] 1 ] ] ] 0-]-]-]-7-D-D
-]-]-]-]-]-] 2 ] 4 ] ] ] ]-]-]-7-B-1-4
-]-]-]-]-]-0 ] ] 1 2 0 3 2-]-]-3-7-]-]
-]-]-]-6-1-] 3 ] ] 1 2 3 2-]-1-9-0-3-]
-]-]-]-0-9-1 1 ] ] ] ] ] ]-]-]-4-B-4-]
-6-3-0-6-E-D-0-]-0-]-2-2-]-]-2-4-8-8-]
-B-C-A-H-N-H-3-0-]-]-]-0-]-]-6-]-2-]-]
-6-9-D-D-C-M-8-E-3-]-]-]-5-]-]-]-1-1-6
Profile for box 18
X limits 137 to 179 mm, Y limits 72 to 137 mm
Number of reflections in profile 359 RMSBG 8.4 Profile factor 0.30
-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-0-1-1-1
*]-]-]-]-]-0-]-]-]-]-]-]-]-]-]-]-0-]-1
*0*0-1-4-5-5-5-2-1-0-]-0-0-]-]-0-0-]-]
*0*4-8-A-F H E 9 5 2 ] 0 0 0-0-]-]-]-]
*2*9-G-N T R L F 9 3 1 ] ] ] ]-]-0-]-]
*3*A-L W Z Q K G C 7 2 0 ] 0 0 ]-0-1-1
*2*7 D K G F G K L F 6 2 0 0 0 1 0-1-1
*0*3 6 7 6 7 B L P I B 4 1 0 0 2 2-1*1
*]*0 1 1 1 3 9 I K H C 6 4 1 0 1 1*2*2
*]-] ] ] ] 1 6 B D E C 7 4 2 1 1 0*1*2
-]-] ] ] ] ] 1 5 7 9 8 5 2 1 0 1 1*1*3
-]-]-0 ] ] ] ] 1 2 3 3 2 1 ] ] ]-]*1*2
-]-]-]-] ] ] ] ] 0 1 ] 0 ] 0 0-1-2*2*2
-]-]-]-]-] ] ] 0 0 0 ] 0 ] 0-1-2-1*2*2
-]-]-]-]-]-]-]-0-0-0-]-]-]-1-0-1-1*1*2
-]-]-]-]-]-]-]-0-0-0-1-1-2-2-1-1-0-2*3
-]-0-1-0-1-1-0-1-1-0-2-2-1-1-1-1-0-2-4
Profile for box 19
X limits 137 to 179 mm, Y limits 137 to 179 mm
Number of reflections in profile 212 RMSBG 13.3 Profile factor 0.43
-]-]-0-]-]-]-]-]-]-0-1-7-]-]-7-1-]*]*]
-1-]-]-]-]-]-A-]-1-1-]-]-]-]-5-1-4*]*]
-7-]-2-7-]-]-A-0-1-]-]-]-]-5-6-1-]*]*]
-E-B-C-D-B-9-7-8-5-]-]-]-]-]-]-]-]-]*]
-0-9-I-L-I-G-7-K-A-]-]-0-]-]-]-]-3-]-L
*]-1-T U S R H L 6 4 0 7 8 5 ] ]-G-4-G
*0-O-L D Q S 9 9 9 L A 0 8 B 3 6-6-]-G
*F-U-H ] O L 7 B K O H C B 8 2 A-]-]*5
*3-8-G A Q Q J R H D M B 2 ] ] 1-]-]*]
*4-]-F V S U G P T Z X 5 ] ] ] ]-]-]*]
*]-]-E N K G 6 K V V S A ] ] ] ]-]-]*3
*]-]-] 6 8 7 ] 8 O P M A ] ] ] ]-]-5*6
-]-]-] E D N F G L E 9 5 1 ] ] A-D-]*]
-]-]-9 A 8 I N A 9 3 ] ] ] ] ] 5-E-7*D
-]-5-7-]-7-4-]-A-6-]-]-4-7-3-5-]-4-D-6
*]-1-2-9-6-]-]-]-]-]-]-]-]-D-5-]-D-F-3
*]*]-]-]-2-]-3-]-3-]-]-]-]-F-B-6-3-E-B
*8*]-1-]-]-]-]-]-]-3-]-]-8-B-]-]-6-I-E
*]*]-]-]-7-]-]-]-]-]-]-]-G-B-]-6-I-K-J
Profile for box 20 *** Before averaging ***
X Limits 137 to 179 mm, Y limits 179 to 210 mm,
Number of reflections in profile 124 RMSBG 29.9 Profile Factor 0.00
-T-D-3-]-]-]-]-A-Q-N-]-D-]*0*6*]*2*]*]
-]-F-1-]-]-4-]-]-]-6-9-]-]*U*]*]*]*8*Z
-]-P-E-2-]-F-]-]-]-Z-E-P-F-T*3*]*]*3*Z
-]-]-D-Z-X-D-3-]-]-9-I-U-B-M-J*3*Z*7*J
-5-]-A-]-K-]-7-Q-6-Z-I-]-6-]-N*K*Z*J*]
-]-]-]-]-M-3 ] 1 0 ] ] 0 ]-]-9-Z*]*]*G
-]-]-]-]-] M C ] 6 6 7 1 A O-B-B-]-]-]
-]-]-]-] ] ] 8 8 K O E ] ] ] ]-4-4-D-]
-C-]-]-] ] ] ] 4 D O 4 ] ] ] ]-]-1-7-]
-X-]-]-] ] 1 ] ] 3 S V ] ] ] 5-]-]-0-]
-0-I-4-] D ] ] ] A N O 2 ] ] ]-0-]-9-]
-5-Z-S-F L ] ] ] L G 1 2 ] ] ]-]-]-D-]
-B-O-Z-] ] 0 ] ] D 8 A ] ] ] ]-]-]-]-]
-8-A-T-] ] ] ] ] G ] ] ] 1 4 ]-8-L-U-2
-]-0-C-8-7 1 Y S E 7 8 ] ] G-9-G-Z-I-J
*4*6*]-1-L-G E 3 4 F ] ] ]-6-W-Z-Z-4-]
*J*]*]*]-C-]-5-2-3-6-]-]-]-G-Z-S-N-E-F
*H*]*]*]-]-]-P-1-H-K-]-K-N-L-F-]-I-]-]
*]*]*]*2*]-5-6-4-9-R-A-]-]-B-5-]-]-0-0
*]*]*]*A*3*]-]-2-Z-Z-K-]-]-X-]-]-]-]-]
*]*5*Z*G*A*]-]-]-B-9-]-8-]-]-]-]-]-]-]
Profile for box 20
X limits 137 to 179 mm, Y limits 179 to 210 mm
Number of reflections in profile 822 RMSBG 8.6 Profile factor 0.49
-2-0*]*0*1-0*1*2-1-0-]-0-]*]*]*]*]*]*]
-]-]*]*]-0*0*]*]*]*]*]-0*]*]*]*]*]*]*]
-0*1*]*]*0*]*0*]*]*]*]*]*]*]*]*]*]*]*]
-1*1*0-0-0*1*0*]*1*0-0*0*]*]*]*]*]*]*]
-2-1*]*0*1*3*4-2-2-1-0-]*]*]*]*]*]*]*]
-0*0*0*1*3*5 4 5 3 1 ] 1 1*]*]*]*1*]*0
*]*]*2*5*6 7 8 A 8 6 4 3 1 0*]*]*1-0-]
*0*2*2*4 6 8 C H G D 8 4 2 1 ]*0-0*0-]
*4*3*3*4 8 B G M P L D 6 3 1 0*]*]*]*]
*2*0*3*5 8 D I P U U L 8 3 1 2*]*]*]*]
*1*0*4*5 9 C H P W Z P A 3 2 0*]*]*0*]
*0*]*3*4 6 9 C L T U M 9 2 2 0*]*]*0*]
*0*0*1*1 2 5 7 D J L G 7 1 1 1-0-0*]*]
-]*]*2*1 2 3 4 8 B B A 5 2 0 1*2*3*2*]
-0*]*0*0*1 2 4 5 5 5 6 4 2 2*1*2*3*2*1
*1*]*]*]*0-0 ] 2 1 1 0 1 0*1*2*1*2*3-0
-0*]*]*]*]*]*]-0-]-]-]-0*1*4*3*2*3*2-0
*0*]*]*]*]*]-0*]-0*1*0*2*2*3*3*2*1*1-1
-0*]*0*0-0*0-0*1-0*2*2*1*2*4*0*0*1*2-1
-0*]*0*0*1*]*]*1*2*2-0*1*2*3*2*1*1*2-3
-0*4*5*4*5*4*4*4*3*3*4*3*1*2*5*3*3*3-]
Profile for box 21 *** Before averaging ***
X Limits 179 to 210 mm, Y limits 0 to 31 mm,
Number of reflections in profile 87 RMSBG 32.5 Profile Factor 0.22
*J*]*J*]*]*]*]*0*]*]*0*]*0-G-P-5-]-]-]-]-6
*6*9*7*]*0*]*]*]*]*]*]*Q*H-]-M-]-]-]-]-]-]
-K*F*F*]*]*]*]*]*]*]*0*]-4-9-R-]-R-]-]-1-]
-E-]-I-]-]-]-]-]-]-5-C-]-]-F-Q-]-E-]-]-P-3
-]-]-L-]-]-]-]-]-6-I-B-]-5-C-A-]-]-]-]-8-]
-]-]-]-6-J-A-]-1-K-L-4-]-]-]-]-]-]-]-H-7-C
-8-]-]-D-C-8-1-J-F-B ]-]-]-]-]-]-]-7-C-G-]
-2-7-]-E-5-D-5-G-5 C A ]-]-]-]-]-2-A-]-E-0
-B-R-D-2-]-2-L-] ] 3 H 2 ]-]-]-]-E-Q-F-9-]
-B-5-5-]-]-]-2-] ] 8 I 8 ]-4-]-]-]-D-V-]-]
-B-]-G-P-B-3-]-7 ] 7 3 T 7-9-1-5-1-Y-7-]-I
-H-6-I-F-K-N-8-N ] A ] Z L-4-A-]-]-H-]-I-P
-C-5-]-6-9-P-F-O 7 4 ] R X-6-A-7-5-L-]-J-T
-]-]-]-5-]-2-H-C-9 G A E-O-5-C-D-G-J-U-H-K
-X-L-I-4-]-4-I-3-]-A I-B-8-]-]-]-H-L-E-7-8
-R-]-]-]-]-]-]-]-2-P-9-7-]-]-]-]-0-9-]-]-]
-]-]-]-5-5-]-]-C-I-F-0-]-N-]-4-]-]-]-5-]-]
-]-]-]-6-]-]-]-R-Z-6-]-]-Y-6-2-]-]-H-]-]-1
-]-]-]-J-]-]-Q-N-Q*F*]*]*]*]*]*]*]*]*]*2-]
-]-]-]-C-6-]-D-]*E*M*Q*G*8*]*0*6*5*0*]*4*F
-6-]-]-J-B-A-C-]*]*K*G*H*]*]*B*4*H*9*]*E*W
Profile for box 21
X limits 179 to 210 mm, Y limits 0 to 31 mm
Number of reflections in profile 369 RMSBG 18.8 Profile factor 0.35
*S*8*W*0*]*]*]*]*4*1*A*]*9-I*Z*T-]-]-6*]-C
*]*]*]*0*3*A*A*1*]*N*I*5*1*]*]*]-]-1-1*K-N
-]*]*7*]*4*5*R*2*]*]*D*4*2*J*6*]-4-6*G*O-7
-]-]-]*]*5*C*Z*T*8*U*I*5*]*M*E-]-G-A-C*P-7
-]-]*D-]-8-A*Z*M*V*Z-G-]-]-]*M-7-9-]-]*F-]
-]-]-0-5-E-4-N-I-6-G-]-]-]-6-O-4-4-]-6*A-1
-]-]-]-]-]-1-8-4-A-F 1-]-]-1-H-9-]-]-K*A-]
-]-]-]*G-3-5-]-1-5 9 A ]-]-0-]-]-5-0-4*D-5
-1-6-C*P-]-]-]-] ] C G 7 ]-]-]-]-0-C-D*J-]
-]-]-]-G-]-]-]-] ] P Y N 9-]-]-]-]-2-F-4-]
-1-]-]-O-E-J-6-4 1 V R Z 8-]-]-]-]-2-3-]-Z
-]-]-3-W-P-Z-S-O 0 G B Z C-]-0-]-]-]-]-]-O
-]*]-A*N-B-Y-P-F 1 3 ] 0 3-]-0-]-]-B-]-]-D
-]*4-D-F-3-D-A-4-5 8 ] ]-1-0-2-5-9-5-O-1-]
-Q*G-D-9-]-6-8-]-]-B 8-1-1-2-]-]-2-3-]-]-8
-L*]-]-]-]-4-C-0-]-H-3-]-]-]-B-]-]-]-]-]-]
-]*]-]-4-0-]-]-]-2-9-]-]-C-J-L-7-]-]-2-]-]
-]*]-]-J-3-E*]*8*V*4*]*]*C*E*5*]*]-]-]-1-2
-]*]-6-N-]*9*K*J*R*4*]*]*0*4*]*]*]*A*1*C-]
-0*7-7-J-]*]*6*]*F*9*]*]*2*]*9*F*Q*1*]*]*]
-6*]-]-4-]-]-D-]*]*1*]*H*]*]*M*]*1*]*]*2*Z
Profile for box 22 *** Before averaging ***
X Limits 179 to 210 mm, Y limits 31 to 72 mm,
Number of reflections in profile 156 RMSBG 31.6 Profile Factor 0.14
-]*]*]*]*]*E*A*E*2*Z*T*]*]*]*]*]-5-G-7-Z-U
-]-]*1*]*7*4*C*]*]*A*N*F*9*J*3*]-7-9-3-N-8
-]-]-]-]*3*J*R*]*]*N*J*5*0*N*4-9-S-E-5-F-5
-6-]-]-1-H-9-I-D-A-Z-H-7-]-]-5-A-G-]-]-2-]
-5-7-9-4-C-2-]-]-]-D-4-]-]-C-Z-H-9-A-7-]-]
-]-0-E-]-]-]-0 ] B J G 2 ] 3-R-J-9-2-5-0-]
-]-]-]-3-]-] ] ] C 9 H 9 ] 2 ]-4-]-]-]-]-5
-]-]-6-A-]-] ] ] 4 L P H 9 1 ]-1-]-1-1-6-]
-]-]-]-3-]-] ] ] 0 P W T L ] ]-]-]-]-C-0-]
-]-]-]-8-1-L 8 7 7 N K N D ] ]-]-]-]-]-]-S
-]-]-2-7-0-L S K ] 1 ] R C ] ]-]-]-]-]-]-B
-]-]-C-9-0-I J 6 ] ] ] ] ] 1 0-]-]-]-]-]-]
-]-A-P-H-6-9 ] ] ] ] ] ] ] F 9-]-]-]-1-]-]
-C-I-E-4-]-1-1 ] 7 8 4 ] ] 6-9-0-]-]-]-]-3
-A-6-]-]-2-7-L-9-C-A-7-]-7-4-K-1-7-7-]-]-]
-]-]-A-5-]-4-6-0-D-D-]-]-G-Y-D-4-1-]-]-]-]
-]-]-4-Z-B-P*]*7*Z*3*9*]*5*3*]*]*]-]-]-3-1
-]-]-6-I-9*G*]*5*J*]*]*]*]*]*]*6*4*6*]-0-]
-6-A-H-Z-H*]*E*]*U*5*]*]*]*]*]*B*J*]*]*]-]
Profile for box 22
X limits 179 to 210 mm, Y limits 31 to 72 mm
Number of reflections in profile 1179 RMSBG 18.8 Profile factor 0.34
*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]-]-]-]*]-1
-]*]*]*]*]*]*]*]*]*]*]*]*]*]*]*]-]-]*0*1-1
-]*]-]*]*]*]*3*]*]*]*]*]*]*]*]-]-]-]-]*0-4
*]*]*]-]-0-3*6*5*1*1-]-]-]-]*]-]-]-]-]*]-3
*]*]*]-4-9-G*L*I-A-6-]-]-]-]-]-]-]-]-]*]-1
*]*]*3-E-O-X-X Q I 9 0 ] ] ]-]-]-]-]-]*]-]
*]*]*4*M-Z-Z U M I D 7 1 ] ] ]-]-]-]-0*1-3
*]*]*3*C-K-F E E M S K 7 0 ] ]-]-0-]-2*1-0
*]*]*]-2-2-0 1 8 P Z R G 5 1 ]-]-0-4-2*1-1
*]*]*]-]-]-] ] 8 M U P K 9 4 1-]-0-3*3*2*6
-]*]-]-]-]-] ] 5 C I K J 9 5 4-2-2-0*]*2*4
-]*]-]*]-]-] ] ] 3 8 A A 6 3 3-1-2-3*4*7*4
-]*]-]-]-]-] ] ] ] 3 3 2 2 2 0-0-2-2*5*7*1
-2*]-]-]-]-]-] ] ] ] 2 ] 2 1-0-1-4-6*3*5*4
-]*]-]-]-]-]-]-]-]-]-0-]-1-]-1-3-6-4*5*5*2
-]*]-]-]-]-]-]-]-0-0-]-]-0-1-4-2-3-6*6*6*4
-]*]-]-]-]-]*]*]*3*2*1*2*3*4*5*3*4-4-6*9-6
-]*0-2-3-2*5*5*2*4*2*1*2*6*3*3*5*5*5*6*B-4
-]*2-3-5-2*0*7*2*7*4*0*]*3*3*4*5*5*5*3*6*6
Profile for box 23 *** Before averaging ***
X Limits 179 to 210 mm, Y limits 72 to 137 mm,
Number of reflections in profile 234 RMSBG 27.2 Profile Factor 0.07
-2-7-D-]-A-5-5-6-5-]-]-]-7-2-1-]-0-4-]-D-G
-]-5-7-]-6-3-0-5-7-6-]-]-4-2-E-E-B-4-6-A-S
*0-8-2-5-B-6-]-]-]-9-]-]-0-2-]-]-]-]-4-5-N
*7-1-3-C-A-3-]-]-]-D-4-2-6-]-]-1-]-]-]-]-D
*]-]-]-]-]-] 0 0 1 ] ] F 9 ] ]-]-]-]-]-0-1
*G-8-]-]-] ] ] ] ] ] ] 8 3 ] ] ]-]-]-]-4-E
*6-]-]-]-] ] ] ] 4 G G 9 B 9 ] ]-]-]-1-]-2
*6-]-]-]-] ] ] ] 5 P R M B C 8 6-]-4-]-]-5
*]-]-]-]-] ] ] ] 9 X Z X C A A 9-4-J-]-]*4
-]-1-]-]-] ] ] ] ] Q W M 2 3 G B-3-]-]-]*1
-]-]-]-]-] 3 ] ] ] 2 C B 0 2 J H-4-]-4-5*4
-]-]-8-]-] ] ] ] ] ] 2 6 4 5 8 F-]-]-0-3*]
-E-]-6-0-]-] ] ] ] ] 8 ] 6 4 ]-]-2-]-]-]*]
-0-2-3-A-G-G-C-9-]-]-]-]-]-]-]-]-]-]-4-1*3
-F-J-E-J-B-9-H-C-1-]-]-]-]-2-]-]-]-3-2-2*0
-9-8-4-C-2-0-4-2-6-2-6-]-]-]-]-]-]-]-3-4-4
-N-N-D-7-7-8-]-]-7-3-A-9-]-]-]-]-4-]-]-1-]
Profile for box 23
X limits 179 to 210 mm, Y limits 72 to 137 mm
Number of reflections in profile 893 RMSBG 17.2 Profile factor 0.31
-]-]*]*]*]*]*]*]*]*]*]*]*]*]*]*]-]-]-]-0-0
-]*]-]-]*]*]*]*]*]*]*]*]*]*]*]-]-]-]-]-0-2
*]*]*]-]-1-1-1-1-]-]-]-]-]-]-]-]-]-]-]-]-0
*]*]*0-6-8-D-F-C-6-4-]-]-]-]-]-]-]-]-]-]-0
*]*]*5-E-L-R R K D 7 0 ] ] ] ]-]-]-]-]-]-]
*]*]*7-K-V Z P I F B 6 1 ] ] ] ]-]-]-]-1-2
*]*]*4-C-I E D F K N H 6 1 0 ] ]-0-]-0-0-0
*]*]*]-3-5 4 4 A M T M D 4 1 ] 0-1-3-1*1-0
*]*]*]-]-] ] 1 8 K P M G 8 4 1 0-1-2*2*2*2
-]*]-]-]-] ] 0 4 A F H F 8 4 3 1-1-]*0*1*0
-]-]-]-]-] ] ] ] 3 7 A A 6 2 2 0-2-1*1*4*2
-]-]-]-]-] ] ] ] 0 2 3 3 3 2 0 0-0-0*2*3*0
-0-]-]-]-]-] ] ] ] ] 2 ] 1 0 0-1-2-3*2*4*2
-]-]-]-]-]-]-0-]-]-]-]-]-1-]-1-2-4-3*4*4*3
-0-]-]-]-]-]-]-]-1-0-0-]-1-2-3-1-2-4*4*5*1
-0-]-]-]-]-]*]*]*2*1*2*2*2*3*3*3*2-2-5*8-3
-0-0-1-3-1*3*1*1*3*2*1*3*4*2*3*4*4*3*5-8-4
Profile for box 24 *** Before averaging ***
X Limits 179 to 210 mm, Y limits 137 to 179 mm,
Number of reflections in profile 144 RMSBG 29.0 Profile Factor 0.07
-2-3-]-]-]-I-L-0-]-]-]-]-F-]-]-]-2-]-]-7-]
-1-B-D-]-]-0-A-]-]-]-]-8-A-]-]-]-6-]-]-7-3
-4-]-C-B-]-]-]-]-H-7-H-G-N-]-]-]-3-D-I-G-8
-]-6-7-7-C-]-3-5-]-7-C-]-8-]-]-]-0-2-7-]-]
-]-5-]-J-J-T S ] 2 ] ] 0 F B ]-]-]-]-]-]-]
-7-D-]-N-] I D ] 3 ] ] B K 4 ] A-]-4-8-]-]
-0-6-P-P ] ] 8 B J C 3 ] ] 8 ] A I-8-9-0-O
-I-J-K-D 6 ] F S L 7 6 ] ] I 9 3 D-]-0-6-]
-G-B-R-7 C K G C J O H ] ] A ] 9 J-I-9-7-]
-D-C-1-0 F L E ] F W Z Q L G F B F-8-A-]-]
-]-]-]-] ] ] 6 ] 1 I E 9 B 2 4 ] 2-0-6-]-]
-0-]-]-D ] ] ] ] ] 1 8 F 4 ] ] ] 0-7-2-]-1
-]-]-]-O ] ] ] ] 0 ] ] K 6 ] ] ] ]-G-6-]-4
-]-]-4-5-0 8 3 ] 0 ] ] H B ] ] ]-]-]-]-]-3
-]-]-7-]-]-] ] ] ] ] ] ] ] ] ]-]-1-5-]-]-6
-]-5-]-]-]-6-]-]-5-]-]-]-]-]-4-4-]-2-5-]-]
-]-]-Q-R-]-]-]-]-]-]-C-]-]-]-]-C-5-J-V-I-]
-]-]-]-Z-D-0-]-]-0-]-]-0-8-4-7-3-]-9-R-4-J
-2-]-]-O-N-9-]-]-]-2-]-]-B-L-U-Z-J-R-K-O-Z
Profile for box 24
X limits 179 to 210 mm, Y limits 137 to 179 mm
Number of reflections in profile 1156 RMSBG 14.0 Profile factor 0.29
-]-]-]-]-]-0-]-]-]-]-]-0-1-]*]*0*]*]*]*1-]
-0-]-]-]-]-]-]-]-]-]-]-]-]-]-]*]*0*0*0*1-2
-]*]-]-]-]-]-]-0-]-]-]-]-]-]-]-]*0*1*]*1-4
*0*1*1-2-5-5-5-5-2-2-0-]-]-]-]-]*0*]*]*]-2
*0*]*4-A-B-G I E A 7 1 ] 0 ] ]-]-]*]*]*0-0
*]*0*7-H-O T T M F 9 2 1 1 ] ] ]-]-0-]-]-0
*3*3*A-M W Z Q J G C 8 3 0 ] ] ] ]-]-0-1-3
*2*4*8-D J G F G K N H 8 2 1 0 0 1-]-1*0-1
*0*0*2-6 7 7 7 B M S L E 5 2 0 1 2-2-0*0-0
*]*]*]-2 2 2 4 9 K P M H 7 4 1 1 1-2*1*1*0
-]*]-]-] ] ] 1 4 B H I F 7 3 2 1 0-]*0*0*]
-]*]-]-] ] ] ] ] 3 8 B A 5 1 1 0 0-]*1*2*1
-]-]-]-0 ] ] ] ] 1 3 3 3 2 1 ] ] ]-0*1*2*]
-1-]-]-]-] ] ] ] ] ] 1 ] 1 ] ] 0-2-3*2*3*]
-]*]*]*]-]-] 0 ] ] ] ] ] ] ] ]-1-2-2*2*2*2
-0*]*]*]*]-]-]-]-]-]-]-]-]-]-2-]-0-2*2*2*]
-0*]*]*]*]-]-]-]-]-0-0-]-]-0-2-1-1-0-2*4-0
-2*]*]*1*0*0-]-]-0-]-0-1-1-0-1-]-0-0-2-4-]
-]*]*]*0*0*1*]-]-]-0-]-]-]-2-3-0-1-2-2-2-3
Profile for box 25 *** Before averaging ***
X Limits 179 to 210 mm, Y limits 179 to 210 mm,
Number of reflections in profile 83 RMSBG 30.4 Profile Factor 0.00
-]-]-1-]-]-]-3-A-G-5-]-4-7-]-3-]-]-]-1-5-3
-]-]-0-]-C-5-]-0-4-2-]-]-]-]-]-D-]-]-8-2-]
-3-]-3-]-1-]-]-]-]-]-0-0-]-]-7-I-2-0-]-]-]
-B-D-C-6-]-]-]-9-1-0-]-]-]-7-F-3-6-5-]-]-]
-B-A-X-7-2-]-]-L-9-0-]-1-]-]-1-A-G-]-]-0-]
-]-1-J-7-]-0-7-H-G-C-1-]-]-]-]-4-E-B-4-]-]
-]-]-]-2-E-F-8 9 6 3 ] ] 0 ]-]-]-]-]-0-6-4
-D-D-]-7-D-] ] ] ] ] ] ] 4 3 ]-]-]-]-]-]-0
-D-H-]-]-6-] ] ] ] ] ] 4 1 ] ]-]-]-]-D-]-I
-]-2-]-5-0-] 2 3 ] 1 0 5 4 7 4-2-]-]-]-]-6
-]-1-2-I-9-2 5 F 3 1 1 3 0 5 6-0-2-1-1-9-]
-]-5-6-G-7-6 8 8 4 6 ] 1 ] ] 4-3-5-1-]-4-]
-0-5-7-K-C-1 ] ] ] 6 3 ] ] ] 5-B-5-2-5-E-H
-]-]-]-B-5-2 ] ] ] ] ] ] 0 0 1-Z-B-]-]-3-7
-]-0-1-]-]-]-] 5 6 ] 5 B C 4-]-V-P-7-7-7-]
-6-]-]-]-]-]-]-H-F-1-6-F-5-4-8-C-C-1-K-7-M
-]-]-]-]-]-]-]-5-2-]-]-]-]-]-A-]-7-]-]-7-L
-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-]-2-4-]-]-9
-]-5-]-6-M-C-7-B-7-]-1-]-]-4-7-]-]-1-]-]-]
-]-N-2-C-A-0-]-8-2-]-]-]-]-]-]-]-]-]-7-2-]
-]-]-5-9-7-C-J-S-8-]-]-]-]-]-]-L-3-F-A-D-1
Profile for box 25
X limits 179 to 210 mm, Y limits 179 to 210 mm
Number of reflections in profile 563 RMSBG 40.0 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 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-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 Z Z Z Z Z Z Z Z Z-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 Z Z Z Z Z Z Z Z Z-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 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-0-0-0-0-0*0-0
-0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
-0*0*0*0*0*0*0-0-0-0-0-0-0-0-0-0-0-0-0-0-0
List 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
1 -36 -36 -89-10314.0 5708.5 2034 1585 -1321 183 1.3 0.0 -0.3 0.2 114.4 Intensity too negative
4 -31 -48 -39-10136.0 9443.1 2018 1950 797 148 1.2 99.0 -0.1 0.1 75.7 Poor profile fit
4 -30 -48 -65 -9776.4 9397.3 1983 1945 996 149 1.2 99.0 0.1 -0.1 76.7 Poor profile fit
4 -30 -47 64 -9666.9 9023.9 1972 1909 636 152 1.3 99.0 0.1 -0.2 81.6 Poor profile fit
5 -29 -49 32 -9636.4 9732.5 1969 1978 43 146 1.4 99.0 0.0 -0.2 76.5 Poor profile fit
4 -29 -49 -23 -9531.1 9738.7 1959 1979 -92 146 1.4 99.0 0.1 -0.3 76.3 Poor profile fit
4 -29 -47 38 -9323.6 8988.0 1939 1906 19 156 1.2 99.0 0.0 -0.2 87.0 Poor profile fit
4 -28 -49 -44 -9184.4 9697.7 1925 1975 179 149 1.3 99.0 0.2 -0.1 79.0 Poor profile fit
4 -28 -48 79 -9086.6 9320.3 1916 1938 433 153 1.3 99.0 -0.2 0.0 83.2 Poor profile fit
4 -27 -49 -63 -8846.5 9661.4 1892 1972 124 149 1.3 99.0 0.0 -0.1 79.9 Poor profile fit
9 -42 21 12 -8797.2 -7765.6 1885 276 -1164 180 1.3 0.0 0.2 0.1 109.8 Intensity too negative
0 -30 -36 59 -8332.7 5705.8 1842 1585 -1257 196 1.3 0.0 0.2 -0.2 132.6 Intensity too negative
3 -26 -47 -71 -8254.1 8918.0 1835 1899 -993 163 1.4 0.0 0.1 0.0 93.1 Intensity too negative
-2 -35 -15 66 -8134.5 979.6 1822 1124 -1633 239 1.2 0.0 0.2 0.1 191.6 Intensity too negative
-2 -36 -10 -96 -8115.1 -43.9 1820 1025 -1386 242 1.3 0.0 0.4 0.4 191.9 Intensity too negative
4 -24 -49 75 -7878.3 9579.6 1798 1964 -883 158 1.3 0.0 0.2 -0.2 87.3 Intensity too negative
-2 -34 -13 8 -7730.3 637.9 1783 1091 -1338 248 1.3 0.0 -0.2 0.3 206.2 Intensity too negative
0 -26 -39 -84 -7421.5 6516.9 1753 1664 -1060 192 1.3 0.0 0.0 0.2 128.7 Intensity too negative
2 -36 12 -56 -7093.5 -4442.2 1721 597 -1323 262 1.2 0.0 0.6 0.4 174.6 Intensity too negative
1 -24 -41 22 -7060.2 7054.5 1718 1717 -1690 246 1.4 0.0 0.2 0.2 123.8 Intensity too negative
6 -35 21 42 -6532.8 -6467.2 1666 400 -1291 236 1.3 0.0 0.1 0.3 142.2 Intensity too negative
0 -21 -39 49 -6076.5 6555.5 1622 1669 -1650 260 1.2 0.0 -0.1 0.1 141.1 Intensity too negative
-2 -27 3 0 -5223.4 -1856.0 1539 847 28967 1410 1.3 3.9 -0.1 0.6 451.2 Poor profile fit
-4 -19 -9 0 -4025.3 674.0 1422 1094 64753 2106 1.3 4.2 3.3 -1.0 511.5 Poor profile fit
-4 -18 -10 0 -3861.6 887.6 1406 1115 66996 2479 1.3 4.8 4.6 -2.0 556.9 Poor profile fit
-4 -18 -9 0 -3821.3 719.2 1402 1098 22847 1487 1.2 4.2 5.3 -0.5 598.8 Poor profile fit
-4 -17 -10 0 -3659.5 931.8 1387 1119 25403 1370 1.3 3.5 7.0 -1.7 656.6 Poor profile fit
-4 -16 -11 0 -3499.4 1143.8 1371 1140 47249 2793 1.3 5.9 7.6 -3.1 722.9 Poor profile fit
-2 -17 5 0 -3045.0 -1594.9 1327 872 89513 3158 1.3 4.5 8.3 3.8 943.3 Poor profile fit
-3 -11 -4 0 -2244.6 195.9 1248 1047 404936 32760 1.3 17.3 -3.4 -1.4 617.8 Poor profile fit
-3 -9 -7 0 -1977.1 771.2 1222 1103 22679 1899 1.2 5.2 -3.3 1.2 536.1 Poor profile fit
-3 -8 -10 0 -1896.2 1303.7 1214 1155 41945 2148 1.3 4.8 -5.6 3.2 618.4 Poor profile fit
1 0 5 31 207.8 -814.8 1008 947 -1544 233 1.4 0.0 7.6 -0.1 96.1 I too -ve and gradient too steep
4 9 -29 23 1022.6 5436.0 927 1560 -2332 421 1.3 0.0 -0.7 -0.3 362.3 Intensity too negative
5 12 -1 0 2401.0 612.1 792 1087 15926 1927 1.4 5.1 6.0 1.4 705.7 Poor profile fit
5 13 -5 0 2472.0 1313.4 785 1156 16537 2235 1.4 4.7 3.9 2.0 925.3 Poor profile fit
6 14 -2 0 2810.8 852.3 752 1110 21446 1834 1.3 4.0 4.1 0.5 994.2 Poor profile fit
6 15 -7 0 2862.2 1730.1 747 1196 512423 32760 1.6 17.9 -6.0 -2.0 1046.1 Poor profile fit
7 17 -15 75 3127.9 3212.0 720 1342 -2446 449 1.2 0.0 -1.5 -0.2 410.4 Intensity too negative
11 19 6 0 4412.1 -342.7 594 993 12910 1254 1.3 3.8 -0.9 -0.1 438.4 Poor profile fit
11 20 3 0 4516.1 214.6 584 1047 9079 1231 1.3 3.7 -0.6 0.3 448.8 Poor profile fit
16 22 -39 58 4808.8 9116.0 552 1924 -1273 253 1.4 0.0 0.0 -0.2 100.8 Intensity too negative
18 24 -39 63 5601.4 9450.5 473 1958 -1321 241 1.4 0.0 -0.2 -0.3 91.2 Intensity too negative
20 30 -27 57 7387.0 6892.4 296 1706 -1580 313 1.4 0.0 -0.3 -0.1 119.7 Intensity too negative
21 31 -26 63 7821.5 6786.9 253 1695 -1644 310 1.3 0.0 0.0 0.0 115.5 Intensity too negative
22 28 11 -18 7906.4 -1145.9 249 913 -1635 319 1.4 0.0 -0.1 -0.5 187.5 Intensity too negative
24 31 -33 -65 8535.9 8905.9 181 1905 -945 183 1.3 0.0 -0.2 -0.1 86.2 Intensity too negative
25 32 -32 -65 9028.6 8816.3 132 1897 1117 177 1.4 99.0 -0.3 -0.4 79.6 Poor profile fit
25 32 -35 5 9032.4 9814.1 131 1996 -597 165 1.3 99.0 0.0 -0.2 70.1 Poor profile fit
25 32 -34 46 9032.7 9471.8 131 1962 -309 167 1.4 99.0 -0.2 -0.2 72.8 Poor profile fit
26 32 -33 -16 9319.9 9203.4 103 1935 -84 168 1.4 99.0 0.0 0.0 73.7 Poor profile fit
26 32 -34 -56 9325.6 9540.1 102 1968 27 162 1.4 99.0 0.1 -0.2 68.8 Poor profile fit
26 32 -35 85 9329.9 9887.0 101 2003 891 160 1.4 99.0 0.1 0.0 65.4 Poor profile fit
26 33 -33 46 9550.8 9391.0 80 1954 -337 165 1.4 99.0 0.0 0.0 71.3 Poor profile fit
26 33 -32 85 9544.0 9057.8 80 1921 -959 172 1.3 99.0 -0.2 0.0 75.0 Poor profile fit and I too negative
27 33 -32 -25 9841.3 9125.5 51 1928 -95 166 1.4 99.0 0.0 0.1 72.4 Poor profile fit
27 33 -33 -62 9852.5 9463.4 49 1961 890 164 1.3 99.0 0.0 -0.1 68.0 Poor profile fit
27 33 -34 88 9862.6 9811.2 48 1996 113 160 1.3 99.0 -0.1 -0.1 67.2 Poor profile fit
27 34 -29 -55 10048.7 8341.5 31 1850 -1237 177 1.3 0.0 -0.2 -0.1 78.9 Intensity too negative
27 34 -33 3 10097.1 9662.8 25 1981 629 159 1.3 99.0 0.1 0.0 64.6 Poor profile fit
28 33 -34 -22 10181.0 9894.8 16 2004 36 159 1.3 99.0 0.1 -0.1 66.3 Poor profile fit
Calculated detector error factor is 0.77 but input value of 0.07 will be used
10 Reflections with a mean PKRATIO (uncorrected for detector error) of 23.5
have been rejected as outliers in the determination of the detector error
5171 Spots measured on this image
273 are fully recorded, 0 are OVERLOADS 55 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.
55 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. 532 1050 2038 660 340 223 140 93 48 47
BGRATIO 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.4
PKRATIO 1.4 1.2 1.2 1.4 1.5 2.1 2.5 3.8 4.9 9.0
374. 275. 287. 387. 517. 569. 616. 675. 850. 1599.
379. 280. 291. 394. 525. 583. 646. 761. 984. 2894.
Maximum Intensity= 512423
Minimum Intensity= -3439
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 23 62 40 57 59 29 3 0 273
65036 7057 1904 66 166 188 701 0 7438
4266 813 621 415 335 316 328 0 831
12.4 6.7 2.2 0.2 0.5 0.6 2.0 0.0 3.1
Profile fitted partials:
Number 345 624 799 914 944 787 390 95 4898
25933 7232 1416 185 135 110 96 84 3066
752 580 442 311 261 235 179 139 362
24.8 11.0 3.1 0.6 0.5 0.5 0.5 0.6 4.0
Summation integration fully recorded:
Res (Ang) 3.01 2.13 1.74 1.50 1.35 1.23 1.14 1.06 Overall
Number 23 62 40 57 59 29 3 0 273
68209 6526 2014 169 310 211 971 0 7659
1120 567 487 324 251 241 225 0 445
36.0 10.9 4.0 0.6 1.3 0.9 4.0 0.0 6.6
Summation integration partials
Number 345 624 799 914 944 787 390 95 4898
25367 7804 1774 310 295 258 145 93 3240
752 580 442 311 261 235 179 139 362
24.4 11.8 3.9 1.0 1.1 1.1 0.8 0.7 4.5
Intensity as a function of PARTIALITY
%age Recorded 5 10 15 20 30 40 50
IMEAN 4181 3000 3272 4000 3955 2456 3545
SIGMA(IMEAN) 451 422 434 417 421 397 410
NUMBER 667 324 298 216 416 437 345
%age recorded 60 70 80 90 100 FULL
IMEAN 2696 1836 3582 2280 3500 7659
SIGMA(IMEAN) 395 379 410 383 415 602
NUMBER 407 350 331 387 720 273
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 33 382 8541100 980 745 632 197 82 81 67 15 2 0 1
RFACTOR between profile fitted and summation integration intensities
For FULLS 14.3 for PARTIALS 24.1
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
3 0.234 0.037 39 0.029 -0.004 15 -0.281 0.119 5 0.057 0.005
0 0.000 0.000 18 0.002 -0.049 13 -0.276 0.084 3 -0.039 -0.030
0 0.000 0.000 0 0.000 0.000 0 0.000 0.000 0 0.000 0.000
Number of bad spots = 61
Number of spots with rejected peak pixels due to poor profile fit= 13
5171 Reflections written to MTZ file with batch number 1
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
@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
5810 Reflections generated:
278 Fully recorded
5532 Partials
332 Overlapped reflections
247 Too wide in phi
Number of partials extending over 2 to 4 images
3571 999 261
THERE ARE 8709 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 61)
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: 1.33 maximum: 1.33
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 0.44.
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 0.0029
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 18 profiles the correlation coefficient with the central profile is less than 0.5.
Smallest correlation coefficient is-0.16
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
1 1 0.26 1 2 0.43 1 4 0.19 1 5 0.31
1 6 0.44 1 7 0.14
===> BEST OFF
*********** END OF PROCESSING *****************
WRITTEN OUTPUT MTZ FILE
Logical Name: process_1_1.mtz Filename: process_1_1.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 = 5171
* 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 :
0.00236 0.85736 ( 20.587 - 1.080 A )
* Sort Order :
0 0 0 0 0
* Space group = 'P1' (number 1)