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 ************ Version 6.2.6 for Image plate and CCD data 4th May 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.


 ===> template "12287_1_E1_###.img"
 ===> directory "/Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287"
 ===> matrix xiaindex.mat

FORMATTED      OLD     file opened on unit   3
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Logical name: xiaindex.mat, Filename: xiaindex.mat
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 ===> newmat xiarefine.mat
 ===> beam 108.950000 105.040000
 ===> distance 169.980000
 ===> symmetry 75

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /Users/graeme/XTAL/coot-0.1.0-intel/share/coot/syminfo.lib

 ===> mosaic 0.100000
 ===> !parameters from autoindex run
 ===> postref multi segments 1
 ===> process 1 4
 ===> 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 MTZ filename given, so filename has been set to: 12287_1_E1_001.mtz                                                              

 From information in the image file, the detector has been 
 recognized as: ADSC
 If this is incorrect you must supply a DETECTOR keyword


 Wavelength of 0.97966A taken from image header

 Pixel size of 0.1024mm taken from image header.
 **** WARNING ****
 Because input wavelength ( 0.9797) 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): 12287_1_E1

 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 "12287_1_E1"


 Warning: No DATASET NAME given by KeyWord DNAME
 It has been set to "Unspecified"



 Beam Parameters
 ===============
 Wavelength 0.9797
 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): 12287_1_E1
 Space group (SYMMETRY)   75 (P4)
 Real cell parameters (CELL):
     51.821    51.821   158.103    90.000    90.000    90.000
 Reciprocal cell parameters :
   0.018905  0.018905  0.006196     90.00     90.00     90.00

 Mosaic spread (MOSAIC) 0.100 degrees
 Rotation matrix U defining standard setting :
             -0.34866 -0.90838 -0.23084
              0.91921 -0.37951  0.10503
             -0.18301 -0.17557  0.96731

 Orientation Matrix [A], Components of A*,B*,C*
    Along X  -0.006591 -0.017173 -0.001430
    Along Y   0.017377 -0.007174  0.000651
    Along Z  -0.003460 -0.003319  0.005994
           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)   0.00 109.09 mm
 Minimum and maximum Y coordinate (YMIN,YMAX)   0.00 105.18 mm
 Minimum and maximum radial coordinates (RMIN,RMAX)   3.00 151.54 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  -4.09 mm   YOFF  -0.18 mm
 These are the distances between the direct beam position and the centre of
 the image.

 Crystal to detector distance (DIST) 169.98 mm
 Detector swing angle (TWOTHETA)   0.00 degrees
 Maximum resolution (RESOLUTION or RMAX) 1.376A
 Low resolution cutoff (RESOL or RMIN and RCENTRE)    55.51A

 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).

 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   108.950   105.040 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):
 /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/
 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)

 POST REFINEMENT (POSTREF)
 ===============
 Post refinement will be used to refine cell parameters and missetting angles.
 Use POSTREF OFF to prevent post refinement.
 Refinement will only be carried out if there are more than   20 reflections
 selected for the refinement (NREF).
 The following cell parameters will be refined 
 (Use FIX keyword to fix individual parameters or FIX ALL to fix
 all of them):
 A,C                                               
 Data from   3 (ADD) images in  1 (SEGMENT) different segments will be combined
 for use in post-refinement. Each segment must be specified on a separate PROCESS
 keyword followed by a RUN keyword.
 The images will NOT be integrated
 The final orientation matrix and cell will be written to file:
 xiarefine.mat

 The mosaic spread will be refined.
 The refined value will be smoothed over 10 images (MOSSMOOTH).
 A "safety" factor equal to 0.05 times the current value will be added (MOSADD).
 To stop smoothing, set MOSSMOOTH to one.
 The refined mosaic spread will be used  during integration.
 (Use POSTREF FIX MOSAIC to use the input mosaic spread instead of the refined one.)
 Use POSTREF BEAM 0 to turn off beam parameter refinement
 Reflections with I .GT. 3.0 sigma will be used in refinement (SDFAC)
 If the refinement residual is greater than 0.16 processing will be abandoned.
 (Controlled by MAXRESID, limit is MAXRESID*(EPS+MEAN(DIVH,DIVV)).)
   2891 Reflections generated:
   1638 Fully recorded
   1253 Partials
      0 Overlapped reflections
      1 Too wide in phi
 Number of partials extending over  2 to   8 images
   1186    46    13     4     2     0     0
  THERE ARE         4710  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   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: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_001.img

 ************************************************
 Processing Image    1  Phi  290.00 to  291.00
 ************************************************

 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
 Threshold set to    5.0
 Threshold set to    5.0

 Based on a median spot size of  5 by  6 pixels in X and Y, the measurement box 
 parameters have been set to  17  19  10   5   6
 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  6 pixels in X and Y, the spot separation 
 parameters (in X and Y) have been set to  0.71  0.81mm.
 Closest possible spot separation is  1.05mm.
   2895 Reflections generated:
   1638 Fully recorded
   1257 Partials
      4 Overlapped reflections
      4 Too wide in phi
 Number of partials extending over  2 to   4 images
   1186    46    13
  THERE ARE         4792  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   211 Fulls to be measured


   6 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.


   1 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.026mm; Weighted residual    1.1
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  1.0016  170.25  0.9987   -24   -21
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.11  CCOM:   -0.0311

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.027mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  1.0014  170.22  0.9989   -36   -21
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0423
    60 Fulls to be measured

   60 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   19   13    6    6
 This gives  31 pixels in the peak and  44 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   0.51mm in X and  0.71mm in Y
 C. of G. SHIFTS =  0.003 -0.017mm  Background residual=  0.2 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*3*B*G*6*1*1*0*0                                                  
                    *0*0*0*0*0*0-0*0*1*2*6*7*3*1*0-0*0                                                  
                    *0*0*0*0*0*0-0*0*0*1*2*2*1*1*0-0*0                                                  
                    *0*0*0*0*0-0-0*0*0*0*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*1*1*1*1*0*0-0*0*0*0                                                  
                    *0*0*0-0*0*0*1 2 2 2*1*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 2 5 B 8 2*1*0-0*0*0*0                                                  
                    *0*0-0*0*0*1 3 D R H 4*1*1*0-0*0*0                                                  
                    *0*0-0*0*1*1 4 H Z L 5*1*1*0-0*0*0                                                  
                    *0*0-0*0*0*1 4 I W H 4*1*1*0*0*0*0                                                  
                    *0*0-0*0*0*1 3 C H 8 2*1*0-0*0*0*0                                                  
                    *0*0*0*0*0*1*2 4 5 2*1*1*0-0*0*0*0                                                  
                    *0*0*0*0*0*0*1*1*1*1*1*0-0*0*0*0*0                                                  
                    *0*0-0*0*0*0*0*0*0*0*0-0-0*0*0*0*0                                                  
                    *0*0-0*0*0*0*0*0*0*0-0-0-0*0*0*0*0                                                  
                    *0-0-0*0*1*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*2*4*4*1*1*0-0*0*0*0*0*0*0                                                  
                    -0-0*0*1*3*B*E*4*1*0-0-0*0*0*0*0*0                                                  

 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.

         43 Reflections outside scanned limits on X.

          8 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   1
 ONLY     4 spots found in bin   2
 ONLY     4 spots found in bin   6
 ONLY     0 spots found in bin   7
 ONLY     0 spots found in bin   8

 Only 43 reflections found (including those from central region
 Reducing I/sigma(I) threshold from 40 to 30 and increment from 10 to  8
 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   1
 ONLY     0 spots found in bin   7
 ONLY     0 spots found in bin   8

 Only 47 reflections found (including those from central region
 Reducing I/sigma(I) threshold from 30 to 23 and increment from  8 to  6
 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   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.036mm; Weighted residual    1.4
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.33  1.0026  170.42  0.9987   -25   -24
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.15  CCOM:   -0.0341

 Repeat refinement because initial or final residual is greater than   2.0
    51 Spots to be measured
 Final rms residual:   0.037mm; Weighted residual    1.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.37  1.0028  170.45  0.9984   -20   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.16  CCOM:   -0.0304

         70 Reflections outside scanned limits on X.

         27 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  2790 Reflections written to scratch file for integration
 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_002.img

 ************************************************
 Processing Image    2  Phi  291.00 to  292.00
 ************************************************
   2830 Reflections generated:
   1625 Fully recorded
   1205 Partials
      2 Overlapped reflections
      4 Too wide in phi
 Number of partials extending over  2 to   4 images
   1136    45    13
  THERE ARE         4872  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   182 Fulls to be measured


   3 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.


   7 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.025mm; Weighted residual    1.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  1.0013  170.19  0.9989   -43   -20
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0424

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.026mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.27  1.0010  170.16  0.9990   -45   -18
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0470
    60 Fulls to be measured

   60 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS = -0.002 -0.011mm  Background residual=  0.2 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*2*9*D*5*1*1*0-0                                                  
                    *0*0*0*0*0*0-0*0*0*1*4*5*2*1*0*0-0                                                  
                    *0*0*0*0-0-0-0*0*0*1*1*1*1*0*0*0-0                                                  
                    *0*0*0-0-0-0-0*0*0*0*0*0*0*0-0-0*0                                                  
                    *0*0*0-0-0*0*0*0*0*0*0*0*0-0-0*0*0                                                  
                    *0*0*0-0*0*0*1*1*1*1*0*0-0-0*0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*0*0-0*0*0*0                                                  
                    *0*0-0-0*0*1 2 7 D 6 2*1*0-0-0*0*0                                                  
                    *0*0-0*0*0*1 3 D R E 3*1*0*0-0*0*0                                                  
                    *0*0-0-0*0*1 3 G Z H 3*1*0*0-0*0*0                                                  
                    *0*0-0-0*0*1 3 G W E 3*1*1*0-0*0*0                                                  
                    *0*0*0-0*0*1 2 A I 7 2*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1*1 3 4 2*1*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*0*1*1*1*1*1*0*0-0*0*0*0                                                  
                    -0-0-0-0*0*0*0*0*0*0*0*0-0-0*0*0*0                                                  
                    -0-0-0*0*0*0*0*0*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*0*1*1*1*1*0-0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*2*4*3*1*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*4*A*8*2*1*0-0-0*0*0*0*0*0                                                  

         16 Reflections outside scanned limits on X.

          9 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.039mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.33  1.0023  170.36  0.9987   -29   -23
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.14  CCOM:   -0.0385

 Repeat refinement because initial or final residual is greater than   2.0
    50 Spots to be measured
 Final rms residual:   0.036mm; Weighted residual    1.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.33  1.0025  170.40  0.9987   -22   -27
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:   -0.0348

         36 Reflections outside scanned limits on X.

         25 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  2763 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.100000
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):      0.00      0.00      0.00
 Reciprocal cell dimensions:
  0.018905 0.018905 0.006196   90.00   90.00   90.00

  Total number of reflections =  310
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.10 deg.

 Number of reflections rejected:     0
 Sum of (RO-RC)/D*)**2 =   0.00009594 Rms Resid =    0.032 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old     -0.035    -0.005     0.014
 Shifts               0.000     0.000
   New     -0.035    -0.005     0.014
  S.D.                0.003     0.003

         Mosaic spread
   Old    0.196
 Shifts   0.000
   New    0.196
  S.D.    0.014

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.008    -0.034     0.014

         Mosaic spread
   New    0.196
  S.D.    0.014

          Reciprocal cell parameters
       0.018905  0.018905  0.006196    90.000    90.000    90.000

          Real cell parameters
         51.821    51.821   158.103    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006591 -0.017173 -0.001430      -0.348662 -0.908377 -0.230838
       0.017377 -0.007174  0.000651       0.919208 -0.379509  0.105025
      -0.003460 -0.003319  0.005994      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.21

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_003.img

 ************************************************
 Processing Image    3  Phi  292.00 to  293.00
 ************************************************
   3207 Reflections generated:
   1320 Fully recorded
   1887 Partials
      2 Overlapped reflections
     18 Too wide in phi
 Number of partials extending over  2 to   4 images
   1721   100    31
  THERE ARE         5410  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   182 Fulls to be measured


   9 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:   0.024mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.31  1.0013  170.20  0.9987   -42   -17
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0147

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.025mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.29  1.0014  170.22  0.9988   -40   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0197

 Repeat refinement because INITIAL RESIDUAL is greater than   2.0

 Refinement cycle  1
   182 Fulls to be measured


   9 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.


   1 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.025mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.31  1.0013  170.19  0.9987   -44   -18
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0171

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.025mm; Weighted residual    1.4
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  1.0015  170.23  0.9989   -37   -25
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0207
    60 Fulls to be measured

   60 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS = -0.009  0.001mm  Background residual=  0.3 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*4*D*D*5*1*1*0-0                                                  
                    *0*0*0*0*0*0-0*0*1*2*5*4*2*1*0*0*0                                                  
                    *0*0*0*0*0-0-0*0*0*1*1*1*1*1*0-0*0                                                  
                    *0*0*0*0*0-0-0*0*0*0*1*0*0*0-0-0*0                                                  
                    *0*0*0*0-0-0*0*1*1*1*0*0*0-0-0*0*0                                                  
                    *0*0*0-0-0*0*1*1*1*1*1*0-0-0-0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*1*0-0-0*0*0                                                  
                    *0*0*0-0*1*1 2 A F 7 2*1*0-0*0*0*0                                                  
                    *0*0-0-0*1*1 4 H U F 3*1*0-0*0*0*0                                                  
                    *0*0-0-0*1*1 4 K Z H 4*1*1-0-0*0*0                                                  
                    *0*0-0*0*1*1 4 K U D 3*1*1-0-0*0*0                                                  
                    *0*0*0-0*1*1 3 B E 6 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 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*1*1*1*0*0-0-0*0*0*0*0                                                  
                    *0-0-0*0*1*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*1*2*1*1*1*0-0-0*0*0*0*0*0                                                  
                    -0*0*1*1*3*7*5*2*1*0-0-0*0*0*0*0*0                                                  
                    -0*0*1*2*8*I*D*3*1*1*0-0*0*0*0*0*0                                                  

         28 Reflections outside scanned limits on X.

          5 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   1
 ONLY     0 spots found in bin   7
 ONLY     0 spots found in bin   8

 Only 49 reflections found (including those from central region
 Reducing I/sigma(I) threshold from 23 to 17 and increment from  6 to  5
 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   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.056mm; Weighted residual    1.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.93  105.30  1.0022  170.36  0.9990   -31   -21
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.15  CCOM:   -0.0111

 Repeat refinement because initial or final residual is greater than   2.0
    52 Spots to be measured
 Final rms residual:   0.053mm; Weighted residual    1.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.96  105.33  1.0023  170.38  0.9986   -21   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.14  CCOM:   -0.0057

         53 Reflections outside scanned limits on X.

         25 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3108 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.205781
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.01
 Reciprocal cell dimensions:
  0.018905 0.018905 0.006196   90.00   90.00   90.00

  Total number of reflections =  627
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.10 deg.

 Number of reflections rejected:     0
 Sum of (RO-RC)/D*)**2 =   0.00020506 Rms Resid =    0.033 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old     -0.006     0.005    -0.004
 Shifts               0.000     0.000
   New     -0.006     0.005    -0.004
  S.D.                0.003     0.003

         Mosaic spread
   Old    0.195
 Shifts   0.000
   New    0.195
  S.D.    0.010

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.015    -0.037     0.010

         Mosaic spread
   New    0.195
  S.D.    0.010

          Reciprocal cell parameters
       0.018905  0.018905  0.006196    90.000    90.000    90.000

          Real cell parameters
         51.821    51.821   158.103    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006591 -0.017173 -0.001430      -0.348662 -0.908377 -0.230838
       0.017377 -0.007174  0.000651       0.919208 -0.379509  0.105025
      -0.003460 -0.003319  0.005994      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.21

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_004.img

 ************************************************
 Processing Image    4  Phi  293.00 to  294.00
 ************************************************
   3171 Reflections generated:
   1296 Fully recorded
   1875 Partials
      2 Overlapped reflections
     17 Too wide in phi
 Number of partials extending over  2 to   4 images
   1718    90    30
  THERE ARE         5457  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   125 Fulls to be measured


   2 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:   0.021mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.30  1.0016  170.25  0.9987   -31   -22
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0032

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.024mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.31  1.0016  170.25  0.9987   -30   -27
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0005
    60 Fulls to be measured

   60 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS = -0.006 -0.007mm  Background residual=  0.3 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*5*H*K*7*2*1*0-0                                                  
                    *0*0*0*0*0-0-0*0*1*2*7*7*3*1*1*0-0                                                  
                    *0*0*0*0*0-0-0*0*1*1*2*2*1*1*0-0*0                                                  
                    *0*0*0*0*0-0-0*0*0*1*1*1*1*0-0-0*0                                                  
                    *0*0*0*0-0-0*0*0*1*1*1*0*0*0-0*0*0                                                  
                    *0*0*0*0-0*0*1*1*1*1*1*0*0-0-0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*1*0-0-0*0*0                                                  
                    *0*0*0-0*0*1 2 8 E 7 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 3 F T E 3*1*0-0-0*0*0                                                  
                    *0*0-0-0*1*1 4 I Z I 4*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1 4 I V E 3*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1 3 B G 7 2*1*0-0*0*0*0                                                  
                    *0*0-0-0*0*1*1 2 4 2*1*1*0-0*0*0*0                                                  
                    *0*0-0-0*0*0*1*1*1*1*1*0-0*0*0*0*0                                                  
                    *0*0-0-0*0*0*0*0*0*0*0*0-0*0*0*0*0                                                  
                    *0-0-0*0*0*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*1*2*1*1*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*3*7*5*2*1*0-0*0*0*0*0*0*0                                                  
                    *0*0*1*1*6*H*C*3*1*0-0*0*0*0*0*0*0                                                  

         27 Reflections outside scanned limits on X.

          8 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   1
 ONLY     0 spots found in bin   8
 Final rms residual:   0.041mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.93  105.33  1.0025  170.41  0.9986   -25   -25
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.15  CCOM:    0.0023

 Repeat refinement because initial or final residual is greater than   2.0
    54 Spots to be measured
 Final rms residual:   0.041mm; Weighted residual    1.6
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.32  1.0027  170.43  0.9988   -19   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:    0.0028

         50 Reflections outside scanned limits on X.

         34 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3068 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     2
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.205076
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.02     -0.04      0.01
 Reciprocal cell dimensions:
  0.018905 0.018905 0.006196   90.00   90.00   90.00

  Total number of reflections = 1062
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.09 deg.

 Number of reflections rejected:    12
 Sum of (RO-RC)/D*)**2 =   0.00029736 Rms Resid =    0.030 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.003    -0.004    -0.001  0.018945  0.006209
 Shifts               0.000     0.000  0.000000  0.000000
   New      0.003    -0.004    -0.001  0.018945  0.006209
  S.D.                0.002     0.002  0.000003  0.000001

         Mosaic spread
   Old    0.301
 Shifts   0.000
   New    0.301
  S.D.    0.007

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.011    -0.036     0.009

         Mosaic spread
   New    0.301
  S.D.    0.007

          Reciprocal cell parameters
       0.018945  0.018945  0.006209    90.000    90.000    90.000

          Real cell parameters
         51.711    51.711   157.787    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006605 -0.017209 -0.001433      -0.348662 -0.908377 -0.230838
       0.017414 -0.007190  0.000652       0.919208 -0.379509  0.105025
      -0.003467 -0.003326  0.006006      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.24



 ***** Cell parameter shift ( 24.3 sds) exceeds limit of  2.5 sds *****
 Repeating the entire run, using the refined cell parameters as given above

 New orientation matrix written to (keyword NEWMAT): xiarefine.mat
 The missetting angles in this file are the refined missets for the FIRST image
 in the post-refinement.

FORMATTED      UNKNOWN file opened on unit  12
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: xiarefine.mat, Filename: xiarefine.mat
<!--SUMMARY_END--></FONT></B>


 Only  0 of the 54 reflections used in CENTRS refinement located in new
 generate file
   0 of these are fully recorded
   3338 Reflections generated:
   1227 Fully recorded
   2111 Partials
      2 Overlapped reflections
     28 Too wide in phi
 Number of partials extending over  2 to   4 images
   1904   125    33
  THERE ARE         5588  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   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: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_001.img

 ************************************************
 Processing Image    1  Phi  290.00 to  291.00
 ************************************************
   3335 Reflections generated:
   1233 Fully recorded
   2102 Partials
      2 Overlapped reflections
     26 Too wide in phi
 Number of partials extending over  2 to   4 images
   1900   121    33
  THERE ARE         5587  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   156 Fulls to be measured


   2 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.


   2 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.021mm; Weighted residual    1.4
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.31  1.0002  170.01  0.9987   -24   -16
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0105

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.021mm; Weighted residual    1.1
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  0.9998  169.94  0.9988   -24   -17
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0133
    60 Fulls to be measured

   60 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   19   13    6    6
 This gives  31 pixels in the peak and  43 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   0.51mm in X and  0.71mm in Y
 C. of G. SHIFTS = -0.008 -0.022mm  Background residual=  0.2 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*4*H*J*6*1*1*0-0                                                  
                    *0*0*0*0*0*0-0*0*1*3*8*7*2*1*0-0*0                                                  
                    *0*0*0*0*0*0-0*0*1*1*2*2*1*1*0-0*0                                                  
                    *0*0*0*0*0-0-0*0*0*1*1*1*1*0*0-0*0                                                  
                    *0*0*0*0*0-0*0*0*0*0*0*0*0*0-0*0*0                                                  
                    *0*0*0-0-0*0*0*1*1*1*1*0*0-0-0*0*0                                                  
                    *0*0*0-0*0*1*1 2 2 2*1*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 2 6 A 6 2*1*0-0*0*0*0                                                  
                    *0*0*0*0*0*1 3 G R E 3*1*0*0-0*0*0                                                  
                    *0*0*0*0*1*1 4 K Z I 4*1*1*0-0*0*0                                                  
                    *0*0-0*0*1*1 5 L W F 3*1*0-0*0*0*0                                                  
                    *0*0-0-0*0*1 3 D H 7 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1*2 4 5 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*1*1*1*0*0-0-0*0*0*0*0                                                  
                    *0*0-0*0*0*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*1*1*1*1*1*0-0*0*0*0*0*0*0                                                  
                    *0-0*0*1*3*7*6*2*1*0-0*0*0*0*0*0*0                                                  
                    -0*0*1*1*6*I*F*4*1*0-0*0*0*0*0*0*0                                                  

 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.

         26 Reflections outside scanned limits on X.

          3 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.038mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.34  1.0003  170.03  0.9987   -21   -26
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.15  CCOM:   -0.0001

 Repeat refinement because initial or final residual is greater than   2.0
    54 Spots to be measured
 Final rms residual:   0.041mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.36  1.0004  170.06  0.9986   -20   -29
 Refined Fiducial constants (mm and degrees)
  CCX:    -0.01   CCY:     0.17  CCOM:    0.0064

         52 Reflections outside scanned limits on X.

         21 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3234 Reflections written to scratch file for integration
 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_002.img

 ************************************************
 Processing Image    2  Phi  291.00 to  292.00
 ************************************************
   3285 Reflections generated:
   1204 Fully recorded
   2081 Partials
      2 Overlapped reflections
     22 Too wide in phi
 Number of partials extending over  2 to   4 images
   1882   118    35
  THERE ARE         5659  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   137 Fulls to be measured


   2 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.


   7 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.024mm; Weighted residual    1.1
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.32  0.9993  169.87  0.9986   -37   -19
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0037

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.028mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.30  0.9994  169.87  0.9988   -34   -24
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0020
    60 Fulls to be measured

   60 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.002  0.000mm  Background residual=  0.4 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*5*I*J*8*2*1*0-0                                                  
                    *0*0*0*0*0-0-0*1*1*2*7*7*3*1*1*0-0                                                  
                    *0*0*0*0-0-0-0*0*1*1*2*2*1*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*1*1*1*1*1*1*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*1*1 2 3 2*1*1*0-0-0*0*0                                                  
                    *0*0*0-0*1*1 2 9 G 9 2*1*1-0-0*0*0                                                  
                    *0*0*0-0*1*1 3 F U H 4*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 4 I Z K 5*1*1*0-0*0*0                                                  
                    *0*0*0-0*1*1 4 H U G 4*1*1-0-0*0*0                                                  
                    *0*0*0-0*0*1 2 9 F 8 2*1*1-0*0*0*0                                                  
                    *0*0*0-0*0*1*1 2 4 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*1*1*1*1*1*0-0-0*0*0*0*0                                                  
                    -0-0-0*0*1*1*1*1*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*1*2*1*1*1*0-0*0*0*0*0*0*0                                                  
                    -0-0*1*1*4*8*6*2*1*1-0-0*0*0*0*0*0                                                  
                    -0-0*1*2*8*K*G*4*1*1-0-0*0*0*0*0*0                                                  

         15 Reflections outside scanned limits on X.

          6 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   7
 ONLY     1 spots found in bin   8
 Final rms residual:   0.039mm; Weighted residual    1.1
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.33  1.0003  170.02  0.9987   -22   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:   -0.0023

 Repeat refinement because initial or final residual is greater than   2.0
    55 Spots to be measured
 Final rms residual:   0.039mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.34  1.0004  170.04  0.9986   -19   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:    0.0014

         41 Reflections outside scanned limits on X.

         31 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3189 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.241971
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.02
 Reciprocal cell dimensions:
  0.018945 0.018945 0.006209   90.00   90.00   90.00

  Total number of reflections =  464
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.11 deg.

 Number of reflections rejected:     4
 Sum of (RO-RC)/D*)**2 =   0.00017428 Rms Resid =    0.035 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.001     0.004     0.006
 Shifts               0.001    -0.001
   New      0.001     0.004     0.005
  S.D.                0.002     0.002

         Mosaic spread
   Old    0.374
 Shifts   0.000
   New    0.374
  S.D.    0.010

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.010    -0.032     0.024

         Mosaic spread
   New    0.374
  S.D.    0.010

          Reciprocal cell parameters
       0.018945  0.018945  0.006209    90.000    90.000    90.000

          Real cell parameters
         51.711    51.711   157.787    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006605 -0.017209 -0.001433      -0.348662 -0.908377 -0.230838
       0.017414 -0.007190  0.000652       0.919208 -0.379509  0.105025
      -0.003467 -0.003326  0.006006      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.39

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_003.img

 ************************************************
 Processing Image    3  Phi  292.00 to  293.00
 ************************************************
   3817 Reflections generated:
    824 Fully recorded
   2993 Partials
      6 Overlapped reflections
     72 Too wide in phi
 Number of partials extending over  2 to   4 images
   2563   238    81
  THERE ARE         6462  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   125 Fulls to be measured


   9 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:   0.020mm; Weighted residual    1.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.30  0.9996  169.92  0.9988   -29   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0029

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.022mm; Weighted residual    1.3
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.31  0.9996  169.92  0.9987   -27   -33
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0039
    60 Fulls to be measured

   60 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.003 -0.001mm  Background residual=  0.2 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*3*C*G*6*1*1*0-0                                                  
                    *0*0*0*0*0*0-0*0*1*2*6*6*2*1*0-0*0                                                  
                    *0*0*0*0*0*0-0*0*0*1*1*1*1*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*1*1*1*1*1*0*0-0-0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 2 8 F 8 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 3 E U G 4*1*1*0-0*0*0                                                  
                    *0*0*0*0*1*1 3 H Z K 5*1*1*0-0*0*0                                                  
                    *0*0*0-0*0*1 3 H U G 4*1*1*0-0*0*0                                                  
                    *0*0*0-0*0*1 2 9 E 7 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*0*1*1*1*1*1*0-0-0*0*0*0                                                  
                    *0*0*0-0*0*0*1*1*1*0*0*0-0*0*0*0*0                                                  
                    *0*0-0*0*0*1*1*1*0*0*0-0*0*0*0*0*0                                                  
                    -0-0*0*1*1*2*2*1*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*2*7*6*2*1*0-0*0*0*0*0*0*0                                                  
                    -0*0*1*1*5*H*G*5*1*0*0-0*0*0*0*0*0                                                  

         25 Reflections outside scanned limits on X.

          2 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     2 spots found in bin   1
 ONLY     1 spots found in bin   7
 ONLY     0 spots found in bin   8

 Only 48 reflections found (including those from central region
 Reducing I/sigma(I) threshold from 17 to 13 and increment from  5 to  4
 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   1
 ONLY     3 spots found in bin   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.059mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  0.9999  169.97  0.9990   -25   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.14  CCOM:   -0.0011

         68 Reflections outside scanned limits on X.

         40 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3631 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.392688
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.04      0.01
 Reciprocal cell dimensions:
  0.018945 0.018945 0.006209   90.00   90.00   90.00

  Total number of reflections =  915
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.10 deg.

 Number of reflections rejected:    10
 Sum of (RO-RC)/D*)**2 =   0.00031522 Rms Resid =    0.034 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old     -0.001    -0.001    -0.001
 Shifts               0.000     0.000
   New     -0.001    -0.001    -0.001
  S.D.                0.002     0.002

         Mosaic spread
   Old    0.370
 Shifts   0.000
   New    0.369
  S.D.    0.007

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.014    -0.039     0.012

         Mosaic spread
   New    0.369
  S.D.    0.007

          Reciprocal cell parameters
       0.018945  0.018945  0.006209    90.000    90.000    90.000

          Real cell parameters
         51.711    51.711   157.787    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006605 -0.017209 -0.001433      -0.348662 -0.908377 -0.230838
       0.017414 -0.007190  0.000652       0.919208 -0.379509  0.105025
      -0.003467 -0.003326  0.006006      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.39

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_004.img

 ************************************************
 Processing Image    4  Phi  293.00 to  294.00
 ************************************************
   3796 Reflections generated:
    790 Fully recorded
   3006 Partials
      4 Overlapped reflections
     73 Too wide in phi
 Number of partials extending over  2 to   4 images
   2587   230    83
  THERE ARE         6491  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
    76 Fulls to be measured


   1 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:   0.019mm; Weighted residual    1.1
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.96  105.35  0.9996  169.91  0.9982   -14   -38
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:    0.0130

 Refinement cycle  2

 Repeating refinement using the same list of 53 reflections
    53 Spots to be measured
 Final rms residual:   0.019mm; Weighted residual    1.0
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.96  105.35  0.9994  169.89  0.9983   -12   -39
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:    0.0113
    53 Fulls to be measured

   53 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS = -0.008  0.004mm  Background residual=  0.2 (peak scaled to 255)
                    *0*0*0*0*0*0*0*1*1*5*H*J*6*2*1*0-0                                                  
                    *0*0*0*0*0*0-0*0*1*2*6*6*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*1*1*1*1*0-0*0*0                                                  
                    *0*0*0*0-0-0*0*1*1*1*1*0*0-0-0*0*0                                                  
                    *0-0-0-0-0*0*1*1*1*1*1*0*0-0-0*0*0                                                  
                    *0-0-0-0*0*1*1 3 5 3*1*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1 2 9 G 7 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*1*1 3 F U E 3*1*0-0*0*0*0                                                  
                    *0*0*0-0*1*1 4 I Z G 3*1*0-0-0*0*0                                                  
                    *0*0*0-0*0*1 4 H T C 2*1*0-0-0*0*0                                                  
                    *0*0*0-0*0*1 2 9 E 6 2*1*0-0*0*0*0                                                  
                    *0*0*0-0*0*1*1 2 3 2*1*0*0-0*0*0*0                                                  
                    *0*0*0-0*0*0*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*1*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*1*2*2*1*0*0-0-0*0*0*0*0*0                                                  
                    *0*0*1*1*4*9*5*2*1*0-0*0*0*0*0*0*0                                                  
                    -0*0*1*2*8*K*C*3*1*0-0-0*0*0*0*0*0                                                  

         13 Reflections outside scanned limits on X.

          1 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   8
 Final rms residual:   0.036mm; Weighted residual    1.0
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.36  1.0002  170.02  0.9984   -17   -32
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:    0.0077

 Repeat refinement because initial or final residual is greater than   2.0
    59 Spots to be measured
 Final rms residual:   0.040mm; Weighted residual    1.2
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.35  1.0003  170.04  0.9986   -16   -31
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.15  CCOM:    0.0040

         59 Reflections outside scanned limits on X.

         37 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3623 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     2
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.390162
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.04      0.01
 Reciprocal cell dimensions:
  0.018945 0.018945 0.006209   90.00   90.00   90.00

  Total number of reflections = 1493
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.11 deg.

 Number of reflections rejected:    30
 Sum of (RO-RC)/D*)**2 =   0.00056581 Rms Resid =    0.036 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.004     0.004    -0.008  0.018975  0.006215
 Shifts               0.000     0.000  0.000000  0.000000
   New      0.004     0.004    -0.008  0.018975  0.006215
  S.D.                0.003     0.002  0.000003  0.000000

         Mosaic spread
   Old    0.405
 Shifts   0.001
   New    0.406
  S.D.    0.006

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.013    -0.031     0.001

         Mosaic spread
   New    0.406
  S.D.    0.006

          Reciprocal cell parameters
       0.018975  0.018975  0.006215    90.000    90.000    90.000

          Real cell parameters
         51.630    51.630   157.637    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006616 -0.017236 -0.001435      -0.348662 -0.908377 -0.230837
       0.017442 -0.007201  0.000653       0.919208 -0.379509  0.105025
      -0.003473 -0.003331  0.006011      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.40



 ***** Cell parameter shift ( 12.0 sds) exceeds limit of  2.5 sds *****
 Repeating the entire run, using the refined cell parameters as given above

 New orientation matrix written to (keyword NEWMAT): xiarefine.mat
 The missetting angles in this file are the refined missets for the FIRST image
 in the post-refinement.

FORMATTED      UNKNOWN file opened on unit  12
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: xiarefine.mat, Filename: xiarefine.mat
<!--SUMMARY_END--></FONT></B>


 Only  0 of the 59 reflections used in CENTRS refinement located in new
 generate file
   0 of these are fully recorded
   3896 Reflections generated:
    804 Fully recorded
   3092 Partials
      8 Overlapped reflections
     78 Too wide in phi
 Number of partials extending over  2 to   4 images
   2644   245    84
  THERE ARE         6537  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   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: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_001.img

 ************************************************
 Processing Image    1  Phi  290.00 to  291.00
 ************************************************
   3876 Reflections generated:
    798 Fully recorded
   3078 Partials
      8 Overlapped reflections
     76 Too wide in phi
 Number of partials extending over  2 to   4 images
   2633   244    83
  THERE ARE         6532  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
   280 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.


   3 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 ***** 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:   0.023mm; Weighted residual    0.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.25  0.9982  169.67  0.9993   -30   -25
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0086

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.024mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.24  0.9978  169.61  0.9993   -35   -24
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0128
    17 Fulls to be measured

   17 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   19   13    6    6
 This gives  31 pixels in the peak and  77 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   0.51mm in X and  0.71mm in Y
 C. of G. SHIFTS = -0.013 -0.034mm  Background residual=  0.4 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*5*I*M*8*2*1*0-0                                                  
                    *0*0*0*0*0-0-0*0*1*3*A*B*3*1*1-0-0                                                  
                    *0*0*0*0-0-0-0*0*1*1*3*3*1*1*0-0-0                                                  
                    *0*0*0*0*0-0-0*0*0*1*1*1*1*0*0-0-0                                                  
                    *0*0*0-0-0-0*0*0*1*1*1*1*0-0-0-0*0                                                  
                    *0*0*0-0-0*0*1*1*1*1*1*0*0-0-0*0*0                                                  
                    *0*0*0-0-0*1*1 1 2 1*1*1*0-0-0*0*0                                                  
                    *0*0*0-0*0*1 2 5 7 4 2*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1 3 G P B 3*1*0-0*0*0*0                                                  
                    *0-0-0-0*1*1 4 L Z F 3*1*1-0-0*0*0                                                  
                    *0*0-0*0*1*1 4 M X D 3*1*1-0*0*0*0                                                  
                    *0*0-0-0*0*1 3 F I 7 2*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1*2 5 5 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*1*1*1*1*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*1*1*1*1*0*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*2*4*3*1*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*1*1*5*E*9*2*1*0-0-0*0*0*0*0*0                                                  

 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.

         41 Reflections outside scanned limits on X.

         12 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   8
 Final rms residual:   0.037mm; Weighted residual    0.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  0.9987  169.75  0.9992   -22   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.16  CCOM:    0.0066

 Repeat refinement because initial or final residual is greater than   2.0
    55 Spots to be measured
 Final rms residual:   0.040mm; Weighted residual    0.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.29  0.9988  169.78  0.9992   -20   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.17  CCOM:    0.0065

         62 Reflections outside scanned limits on X.

         26 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3704 Reflections written to scratch file for integration
 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_002.img

 ************************************************
 Processing Image    2  Phi  291.00 to  292.00
 ************************************************
   3817 Reflections generated:
    796 Fully recorded
   3021 Partials
     10 Overlapped reflections
     76 Too wide in phi
 Number of partials extending over  2 to   4 images
   2570   245    89
  THERE ARE         6533  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   240 Fulls and partials to be measured


   3 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.


   7 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.026mm; Weighted residual    0.6
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.23  0.9978  169.61  0.9994   -36   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0079

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.027mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.22  0.9977  169.58  0.9995   -38   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0112
    13 Fulls to be measured

   13 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.002  0.016mm  Background residual=  0.8 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*2*7*M*V*C*3*1*1-0                                                  
                    *0*0*0-0-0-0-1*1*1*3*8*A*4*2*1*1-0                                                  
                    *0*0*0-1-1-0-1-1*1*1*2*2*2*1*1-1-0                                                  
                    *0*0-0*1*1-1-1-1*1*1*1*1*1*1*1-1-0                                                  
                    *0*0-0*1*1-1*1*1-1*1*1*1-1-1-1-0-0                                                  
                    *0*0*0*1*1*1*1*1*1*1*1*1-1-1-0*0*0                                                  
                    *0*0*0-1-1*1*2 3 4 3*1*1-1-0-0*0*0                                                  
                    *0*0-0-0-1*1 3 A J B 3*1-1-1-0*0*0                                                  
                    *0*0-0-0*1*1 4 G W K 5*2*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 5 J Z M 5*2*1-0-0*0*0                                                  
                    *0-0-0-0-1*1 5 G R G 4*1*1-1-0-0-0                                                  
                    -0-0-0-0-1*1 3 8 C 7 2*1*1-0-0-0-0                                                  
                    -1-1-0-0-0*1*1 2 3 2*1*1-0-0-0*0*0                                                  
                    -1-1-0-0-0-1*1*1*1*1*1-1-0-0*0*0*0                                                  
                    *1*1-0-0-1-1*1*1-1*1-1-1-0-0-0-0*0                                                  
                    -1-1-1-1-1*1*1*1-1-1-1-0-0-0-0-0*0                                                  
                    -0-1-1*1*1*2*2*1*1-1-1-0*0*0*0-0-0                                                  
                    -0-0*1*1*4*8*5*2*1-1-0-0-0*0*0*0*0                                                  
                    -0-1*1*2*9*L*E*3*1*1-0-0-0*0*0*0*0                                                  

         24 Reflections outside scanned limits on X.

         14 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     3 spots found in bin   1
 ONLY     1 spots found in bin   8
 Final rms residual:   0.070mm; Weighted residual    0.9
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.97  105.23  0.9981  169.65  0.9992   -26   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.01   CCY:     0.11  CCOM:   -0.0184

         42 Reflections outside scanned limits on X.

         30 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3659 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.402166
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.02
 Reciprocal cell dimensions:
  0.018975 0.018975 0.006215   90.00   90.00   90.00

  Total number of reflections =  534
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.12 deg.

 Number of reflections rejected:     6
 Sum of (RO-RC)/D*)**2 =   0.00027254 Rms Resid =    0.041 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old     -0.018     0.002    -0.006
 Shifts               0.000     0.000
   New     -0.018     0.002    -0.005
  S.D.                0.003     0.002

         Mosaic spread
   Old    0.470
 Shifts   0.000
   New    0.470
  S.D.    0.010

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.020    -0.048     0.018

         Mosaic spread
   New    0.470
  S.D.    0.010

          Reciprocal cell parameters
       0.018975  0.018975  0.006215    90.000    90.000    90.000

          Real cell parameters
         51.630    51.630   157.637    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006616 -0.017236 -0.001435      -0.348662 -0.908377 -0.230837
       0.017442 -0.007201  0.000653       0.919208 -0.379509  0.105025
      -0.003473 -0.003331  0.006011      -0.183008 -0.175570  0.967308

 Smoothed value for refined mosaic spread (including safety factor):   0.49

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_003.img

 ************************************************
 Processing Image    3  Phi  292.00 to  293.00
 ************************************************
   4165 Reflections generated:
    587 Fully recorded
   3578 Partials
     12 Overlapped reflections
    107 Too wide in phi
 Number of partials extending over  2 to   4 images
   2904   397   103
  THERE ARE         7023  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   263 Fulls and partials to be measured


   6 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.


   1 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.025mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.23  0.9980  169.64  0.9994   -30   -22
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0095

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.026mm; Weighted residual    0.6
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.94  105.23  0.9979  169.63  0.9994   -34   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0151
    21 Fulls to be measured

   21 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.002  0.002mm  Background residual=  0.5 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*4*F*H*8*2*1*0-0                                                  
                    *0*0*0*0-0-0-0*1*1*2*6*5*2*1*1-0-0                                                  
                    *0*0*0*0*0-0-0-0*1*1*2*2*1*1*0-0-0                                                  
                    *0*0*0*0-0-0-0*1*1*1*1*1*1*1-0-0*0                                                  
                    *0*0*0*0-0-1*1*1*1*1*1*1*1-0-0-0*0                                                  
                    *0*0*0-0-1*1*1*1*1*1*1*1-0-0-0*0*0                                                  
                    *0*0-0-0*1*1*1 3 4 2*1*1*0-0-0*0*0                                                  
                    *0-0-0-0*1*1 2 8 F 9 3*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 3 F U I 5*1*1-0-0*0*0                                                  
                    *0*0-0-1*1*1 4 I Z L 5*1*1-0-0*0*0                                                  
                    *0*0-0-1*1*1 4 I U G 4*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 3 B D 6 2*1*1-0-0*0*0                                                  
                    *0*0-0-0-1*1*1 3 3 2*1*1-0-0-0*0*0                                                  
                    *0*0-0-0-0*1*1*1*1*1*1*1-0-0*0*0*0                                                  
                    *0*0-0-0-1*1*1*1*1*1*1-0-0-0*0*0*0                                                  
                    -0-0-0*1*1*1*1*1*1-0-0-0-0*0*0*0*0                                                  
                    -0-0-1*1*1*2*2*1*1-0-0-0*0*0*0*0*0                                                  
                    -1-0*1*1*3*6*5*2*1-0-0-0*0*0*0*0*0                                                  
                    -1-1*1*1*6*E*B*3*1-0-0-0*0*0*0*0*0                                                  

         42 Reflections outside scanned limits on X.

         18 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   7
 ONLY     0 spots found in bin   8
 Final rms residual:   0.042mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.24  0.9985  169.73  0.9994   -21   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.14  CCOM:    0.0077

         77 Reflections outside scanned limits on X.

         42 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3927 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.493354
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.02     -0.04      0.01
 Reciprocal cell dimensions:
  0.018975 0.018975 0.006215   90.00   90.00   90.00

  Total number of reflections = 1056
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.12 deg.

 Number of reflections rejected:    14
 Sum of (RO-RC)/D*)**2 =   0.00052435 Rms Resid =    0.041 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.008    -0.003    -0.014
 Shifts               0.000     0.000
   New      0.008    -0.003    -0.014
  S.D.                0.003     0.002

         Mosaic spread
   Old    0.456
 Shifts   0.000
   New    0.455
  S.D.    0.007

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.011    -0.032    -0.001

         Mosaic spread
   New    0.455
  S.D.    0.007

          Reciprocal cell parameters
       0.018975  0.018975  0.006215    90.000    90.000    90.000

          Real cell parameters
         51.630    51.630   157.637    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006616 -0.017236 -0.001435      -0.348662 -0.908377 -0.230837
       0.017442 -0.007201  0.000653       0.919208 -0.379509  0.105025
      -0.003473 -0.003331  0.006011      -0.183008 -0.175570  0.967308

 Smoothed value for refined mosaic spread (including safety factor):   0.49

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_004.img

 ************************************************
 Processing Image    4  Phi  293.00 to  294.00
 ************************************************
   4126 Reflections generated:
    583 Fully recorded
   3543 Partials
     14 Overlapped reflections
    102 Too wide in phi
 Number of partials extending over  2 to   4 images
   2888   380   104
  THERE ARE         7007  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   233 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.
 Final rms residual:   0.025mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.24  0.9980  169.64  0.9993   -26   -27
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0135

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.027mm; Weighted residual    0.6
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.24  0.9980  169.64  0.9993   -28   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0152
    15 Fulls to be measured

   15 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.002  0.004mm  Background residual=  0.3 (peak scaled to 255)
                    *0*0*0*0*0*0-0*0*1*4*C*D*6*1*1-0*0                                                  
                    *0*0*0*0*0-0-0*0*1*2*5*4*2*1*0-0-0                                                  
                    *0*0*0*0*0*0-0*0*0*1*1*1*1*0-0-0*0                                                  
                    *0*0*0*0-0-0-0*0*0*0*1*1*0-0-0-0*0                                                  
                    *0*0*0*0-0-0*0*1*1*1*1*0*0-0-0*0*0                                                  
                    *0*0*0-0-0*0*1*1*1*1*1*1*0-0-0*0*0                                                  
                    *0*0*0-0*0*1*1 2 4 3*1*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1 2 8 G 9 2*1*0-0-0*0*0                                                  
                    *0*0-0-0*1*1 3 D U I 4*1*1*0-0*0*0                                                  
                    *0*0-0-0*1*1 3 G Z K 5*1*1*0-0*0*0                                                  
                    *0*0-0-0*0*1 3 G V F 3*1*1*0-0*0*0                                                  
                    *0*0-0-0*0*1 3 A E 6 2*1*0-0-0*0*0                                                  
                    *0-0-0-0*0*1*1 2 3 2*1*1*0-0*0*0*0                                                  
                    *0-0-0-0*0*0*1*1*1*1*1*0-0-0*0*0*0                                                  
                    *0-0-0-0*0*0*0*0*0*0*0-0-0-0*0*0*0                                                  
                    *0-0-0*0*0*1*0*0*0*0-0-0*0*0*0*0*0                                                  
                    *0-0-0*0*1*1*1*1*0-0-0-0*0*0*0*0*0                                                  
                    *0-0*0*1*2*5*4*1*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*1*1*5*D*B*2*1*0-0-0*0*0*0*0*0                                                  

         38 Reflections outside scanned limits on X.

         21 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     4 spots found in bin   1
 ONLY     1 spots found in bin   8
 Final rms residual:   0.045mm; Weighted residual    0.9
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.97  105.31  0.9986  169.74  0.9987   -17   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.01   CCY:     0.13  CCOM:    0.0006

         63 Reflections outside scanned limits on X.

         37 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3910 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     2
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.485745
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.00
 Reciprocal cell dimensions:
  0.018975 0.018975 0.006215   90.00   90.00   90.00

  Total number of reflections = 1679
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.13 deg.

 Number of reflections rejected:    38
 Sum of (RO-RC)/D*)**2 =   0.00088430 Rms Resid =    0.042 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.001     0.000     0.000  0.018984  0.006216
 Shifts               0.000     0.000  0.000000  0.000000
   New      0.001     0.000     0.000  0.018984  0.006216
  S.D.                0.003     0.002  0.000003  0.000001

         Mosaic spread
   Old    0.461
 Shifts   0.000
   New    0.461
  S.D.    0.006

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.013    -0.030     0.001

         Mosaic spread
   New    0.461
  S.D.    0.006

          Reciprocal cell parameters
       0.018984  0.018984  0.006216    90.000    90.000    90.000

          Real cell parameters
         51.606    51.606   157.600    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006619 -0.017244 -0.001435      -0.348662 -0.908377 -0.230837
       0.017450 -0.007204  0.000653       0.919208 -0.379509  0.105025
      -0.003474 -0.003333  0.006013      -0.183008 -0.175570  0.967308

 Smoothed value for refined mosaic spread (including safety factor):   0.49



 ***** Cell parameter shift (  3.0 sds) exceeds limit of  2.5 sds *****
 Repeating the entire run, using the refined cell parameters as given above

 New orientation matrix written to (keyword NEWMAT): xiarefine.mat
 The missetting angles in this file are the refined missets for the FIRST image
 in the post-refinement.

FORMATTED      UNKNOWN file opened on unit  12
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: xiarefine.mat, Filename: xiarefine.mat
<!--SUMMARY_END--></FONT></B>


 Only  0 of the 55 reflections used in CENTRS refinement located in new
 generate file
   0 of these are fully recorded
   4186 Reflections generated:
    611 Fully recorded
   3575 Partials
      8 Overlapped reflections
    106 Too wide in phi
 Number of partials extending over  2 to   4 images
   2934   373   107
  THERE ARE         7032  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   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: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_001.img

 ************************************************
 Processing Image    1  Phi  290.00 to  291.00
 ************************************************
   4167 Reflections generated:
    593 Fully recorded
   3574 Partials
      8 Overlapped reflections
    105 Too wide in phi
 Number of partials extending over  2 to   4 images
   2942   365   107
  THERE ARE         7020  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
   276 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.


   2 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.023mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.23  0.9977  169.59  0.9995   -29   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:    0.0042

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.023mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.20  0.9976  169.56  0.9996   -33   -24
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:    0.0016
    12 Fulls to be measured

   12 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   19   13    6    6
 This gives  31 pixels in the peak and  86 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   0.51mm in X and  0.71mm in Y
 C. of G. SHIFTS = -0.008 -0.020mm  Background residual=  0.4 (peak scaled to 255)
                    *0*0*0*0*0*0-0*1*1*4*H*M*7*2*1*0-0                                                  
                    *0*0*0*0*0-0-0*0*1*3*9*9*3*1*1-0-0                                                  
                    *0*0*0*0-0-0-0*0*1*1*2*2*1*1*0-0-0                                                  
                    *0*0*0*0-0-0-0*0*1*1*1*1*1*0-0-0*0                                                  
                    *0*0*0-0-0-0*0*0*1*1*1*1*0-0-0-0*0                                                  
                    *0*0*0*0-0-0*1*1*1*1*1*0-0-0-0*0*0                                                  
                    *0*0*0-0-0*0*1 2 2 2*1*1-0-0-0*0*0                                                  
                    *0*0*0-0*0*1 2 5 A 6 2*1*0-0-0*0*0                                                  
                    *0*0-0-0*0*1 3 D Q D 3*1*0-0-0-0*0                                                  
                    *0-0-0-0*1*1 4 H Z F 3*1*1-0-0-0*0                                                  
                    *0-0-0-0*0*1 4 I V B 3*1*0-0-0*0*0                                                  
                    *0-0-0-0*0*1 3 C H 5 2*1*0-0-0*0*0                                                  
                    *0-0-0-0*0*1*2 4 5 2*1*1-0-0*0*0*0                                                  
                    *0*0-0-0*0*0*1*1*1*1*1*0-0-0*0*0*0                                                  
                    *0*0-0-0*0*0*1*1*1*0-0-0-0-0*0*0*0                                                  
                    *0-0-0*0*0*1*1*1*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*1*2*5*4*1*1*0-0*0*0*0*0*0*0                                                  
                    -0-0*1*1*6*H*B*3*1*0-0-0*0*0*0*0*0                                                  

 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.

         47 Reflections outside scanned limits on X.

         11 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   8
 Final rms residual:   0.038mm; Weighted residual    0.7
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.96  105.27  0.9981  169.66  0.9992   -21   -28
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.14  CCOM:    0.0187

         73 Reflections outside scanned limits on X.

         34 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3947 Reflections written to scratch file for integration
 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_002.img

 ************************************************
 Processing Image    2  Phi  291.00 to  292.00
 ************************************************
   4134 Reflections generated:
    602 Fully recorded
   3532 Partials
      8 Overlapped reflections
    108 Too wide in phi
 Number of partials extending over  2 to   4 images
   2881   375   109
  THERE ARE         7027  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   240 Fulls and partials to be measured


   3 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.


   7 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.025mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.21  0.9973  169.53  0.9996   -35   -24
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:    0.0067

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.026mm; Weighted residual    0.4
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.19  0.9972  169.50  0.9997   -36   -23
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:    0.0064
     8 Fulls to be measured

    8 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS = -0.024  0.021mm  Background residual=  0.8 (peak scaled to 255)
                    *0*0*0*0-0-0-0*1*2*8*P*N*7*2*1-0-0                                                  
                    *0*0*0-0-0-0-0*1*1*3*8*7*3*1*1-0-0                                                  
                    *0*0*0-1-1-0-0*1*1*1*2*2*1*1-1-0-0                                                  
                    *0*0-0*1*1-1-1-1*1*1*1*1*1-1-0-0-0                                                  
                    *0*0-0*1*1*1*1*1*1*1*1*1-1-0-0-0-0                                                  
                    *0*0-0*1*1*1*1*1*1*1*1*1-0-0-0-0-0                                                  
                    *0*0-0-1*1*1*2 3 4 2*1*1-0-0-0-0*0                                                  
                    *0*0-0-0*1*1 4 D L 7 2*1-0-0-0*0*0                                                  
                    *0*0-0-0*1*2 5 K W C 2*1*1-0-0*0*0                                                  
                    *0-0-0-0*1*2 6 N Z D 3*1-1-0-0*0*0                                                  
                    *0-0-0-0*1*1 5 K O 9 2*1-1-0-0-0*0                                                  
                    -0-0-0-0-1*1 3 A 9 4 2*1-1-0-0-0-0                                                  
                    -1-1-0-0-0*1*1 2 2 1*1*1-0-0-0-0-0                                                  
                    *1-1-0-0-0-1*1*1*1*1*1-0-0-0-0-0*0                                                  
                    *1*1-0-0-0-0-1-1-1-1-0-0-0-0-0-0*0                                                  
                    *1-1-0-0-0-1-1-0-1-0-0-0-0-0-0-0-0                                                  
                    -0-0-0-1*1*1*1*1-1-0-0-0*0*0-0-0-0                                                  
                    *0-0-1*1*2*3*2*1*1-0-0-0-0-0-0-0-0                                                  
                    -0-0*1*2*5*A*7*2*1-0-0-0-0*0*0-0-0                                                  

         24 Reflections outside scanned limits on X.

         16 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   8
 Final rms residual:   0.044mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.22  0.9978  169.61  0.9995   -25   -22
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:    0.0103

         51 Reflections outside scanned limits on X.

         37 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3929 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.485325
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.02     -0.05      0.02
 Reciprocal cell dimensions:
  0.018984 0.018984 0.006216   90.00   90.00   90.00

  Total number of reflections =  546
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.13 deg.

 Number of reflections rejected:     9
 Sum of (RO-RC)/D*)**2 =   0.00028468 Rms Resid =    0.042 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.010     0.003    -0.002
 Shifts               0.000     0.000
   New      0.010     0.003    -0.002
  S.D.                0.003     0.002

         Mosaic spread
   Old    0.494
 Shifts   0.000
   New    0.494
  S.D.    0.010

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.019    -0.037     0.014

         Mosaic spread
   New    0.494
  S.D.    0.010

          Reciprocal cell parameters
       0.018984  0.018984  0.006216    90.000    90.000    90.000

          Real cell parameters
         51.606    51.606   157.600    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006619 -0.017244 -0.001435      -0.348662 -0.908377 -0.230837
       0.017450 -0.007204  0.000653       0.919208 -0.379509  0.105025
      -0.003474 -0.003333  0.006013      -0.183008 -0.175570  0.967308

 Smoothed value for refined mosaic spread (including safety factor):   0.52

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_003.img

 ************************************************
 Processing Image    3  Phi  292.00 to  293.00
 ************************************************
   4245 Reflections generated:
    538 Fully recorded
   3707 Partials
     12 Overlapped reflections
    116 Too wide in phi
 Number of partials extending over  2 to   4 images
   2968   432   115
  THERE ARE         7165  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   265 Fulls and partials to be measured


   6 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.


   1 reflections rejected because more than a fraction 0.50 of the background pixels were rejected
 Final rms residual:   0.023mm; Weighted residual    0.6
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.21  0.9976  169.57  0.9996   -28   -25
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0216

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.025mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.20  0.9976  169.57  0.9996   -30   -27
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0272
    23 Fulls to be measured

   23 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.002 -0.010mm  Background residual=  0.5 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*4*F*H*9*2*1*0-0                                                  
                    *0*0*0*0*0-0-0*1*1*2*7*6*3*1*1-0*0                                                  
                    *0*0*0*0*0-0-0-1*1*1*2*2*1*1*0-0-0                                                  
                    *0*0*0*0-0-0-1*1*1*1*1*1*1*1-0-0*0                                                  
                    *0*0*0*0-0-0*1*1*1*1*1*1*1-0-0-0*0                                                  
                    *0*0*0-0-1*1*1*1*1*1*1*1-0-0-0*0*0                                                  
                    *0*0*0-0*1*1*1 2 3 2*1*1-0-0-0*0*0                                                  
                    *0-0-0-0*1*1 2 8 D 8 2*1*1-0-0*0*0                                                  
                    *0*0-0-1*1*1 3 F T H 4*1*1-0-0*0*0                                                  
                    *0*0-0-1*1*1 4 I Z L 5*1*1-0-0*0*0                                                  
                    *0-0-0-1*1*1 4 J V H 5*1*1-0-0*0*0                                                  
                    -0-0-0-0*1*1 3 C G 8 2*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1*2 3 4 2*1*1-0-0-0*0*0                                                  
                    *0*0*0-0-1*1*1*1*1*1*1*1-0-0*0*0*0                                                  
                    -0-0-0-0*1*1*1*1*1*1*1-0-0-0*0*0*0                                                  
                    -0-0-0*1*1*1*1*1*1*1-0-0-0*0*0*0*0                                                  
                    -1-1*1*1*1*2*2*1*1*0-0-0-0*0*0*0*0                                                  
                    -1-1*1*1*3*6*5*2*1*1-0-0*0*0*0*0*0                                                  
                    -1-1*1*2*7*H*E*4*1*1-0-0*0*0*0*0*0                                                  

         41 Reflections outside scanned limits on X.

         16 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     0 spots found in bin   8
 Final rms residual:   0.042mm; Weighted residual    0.9
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.96  105.22  0.9980  169.64  0.9996   -19   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.13  CCOM:   -0.0015

         75 Reflections outside scanned limits on X.

         43 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3999 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     0
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.518197
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.00
 Reciprocal cell dimensions:
  0.018984 0.018984 0.006216   90.00   90.00   90.00

  Total number of reflections = 1132
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.13 deg.

 Number of reflections rejected:    17
 Sum of (RO-RC)/D*)**2 =   0.00066652 Rms Resid =    0.044 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old     -0.001    -0.003    -0.002
 Shifts               0.000     0.000
   New     -0.001    -0.003    -0.002
  S.D.                0.003     0.003

         Mosaic spread
   Old    0.482
 Shifts   0.000
   New    0.482
  S.D.    0.007

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.011    -0.033    -0.002

         Mosaic spread
   New    0.482
  S.D.    0.007

          Reciprocal cell parameters
       0.018984  0.018984  0.006216    90.000    90.000    90.000

          Real cell parameters
         51.606    51.606   157.600    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006619 -0.017244 -0.001435      -0.348662 -0.908377 -0.230837
       0.017450 -0.007204  0.000653       0.919208 -0.379509  0.105025
      -0.003474 -0.003333  0.006013      -0.183008 -0.175570  0.967307

 Smoothed value for refined mosaic spread (including safety factor):   0.51

 image FILENAME: /Volumes/Arthur/JCSG Data/1vpj/data/jcsg/als1/8.2.1/20040926/collection/TB0541B/12287/12287_1_E1_004.img

 ************************************************
 Processing Image    4  Phi  293.00 to  294.00
 ************************************************
   4218 Reflections generated:
    528 Fully recorded
   3690 Partials
     12 Overlapped reflections
    112 Too wide in phi
 Number of partials extending over  2 to   4 images
   2962   427   116
  THERE ARE         7157  REFLECTIONS.
 "MEDIAN" "   " "      "      ":            2     "  
   NADD is currently.............           3
   NIVB is now...................           2
 Partial reflections spanning more than  5 images will NOT be integrated.
 (use MAXWIDTH to change but maximum width is 10 images).

 Refinement cycle  1
   233 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.
 Final rms residual:   0.025mm; Weighted residual    0.5
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.20  0.9975  169.55  0.9997   -28   -24
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0179

 Refinement cycle  2

 Repeating refinement using the same list of 60 reflections
    60 Spots to be measured
 Final rms residual:   0.028mm; Weighted residual    0.4
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.95  105.20  0.9973  169.52  0.9997   -32   -26
 Refined Fiducial constants (mm and degrees)
  CCX:     0.00   CCY:     0.12  CCOM:   -0.0204
    10 Fulls to be measured

   10 Reflections included in AVERAGE SPOT PROFILE
 Average spot profile for central region.
 Rejected background pixels flagged by "*", true background by "-"
 C. of G. SHIFTS =  0.006  0.008mm  Background residual=  0.5 (peak scaled to 255)
                    *0*0*0*0*0-0-0*1*1*6*I*J*8*2*1*0-0                                                  
                    *0*0*0*0-0-0-0*1*1*4*7*6*3*1*1-0-0                                                  
                    *0*0*0*0-0-0-0*1*1*1*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*1*1*1*1*1*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*1*1 3 5 3*1*1*1-0-0*0*0                                                  
                    *0*0*0-0*1*1 2 8 G B 3*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 3 F V M 5*1*1-0-0*0*0                                                  
                    *0*0-0-0*1*1 4 I Z P 5*1*1-0-0*0*0                                                  
                    *0*0-0-0*0*1 4 I V I 4*1*1-0-0*0*0                                                  
                    *0*0-0-0*0*1 3 A D 7 2*1*1-0-0*0*0                                                  
                    *0-0-0-0*0*1*1 2 3 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*1*1*1*1*1*0-0-0-0*0*0*0                                                  
                    -0-0-0*0*1*1*1*1*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*0*1*1*2*1*1*1-0-0-0*0*0*0*0*0                                                  
                    -0-0*1*1*4*8*7*2*1*0-0-0*0*0*0*0*0                                                  
                    -0-0*1*2*8*J*H*3*1*0-0-0*0*0*0*0*0                                                  

         40 Reflections outside scanned limits on X.

         20 Reflections outside scanned limits on Y.


 Refinement using reflections over entire image

 ONLY     1 spots found in bin   8
 Final rms residual:   0.043mm; Weighted residual    0.8
   XCEN    YCEN  XTOFRA   XTOFD  YSCALE  TILT TWIST
 108.97  105.30  0.9981  169.65  0.9988   -18   -27
 Refined Fiducial constants (mm and degrees)
  CCX:     0.01   CCY:     0.14  CCOM:    0.0060

         68 Reflections outside scanned limits on X.

         38 Reflections outside scanned limits on Y.


  MAX. No. of Active Reflections=    50
  3988 Reflections written to scratch file for integration

 Post refinement
  No. of refined cell parameters     2
  No. of refined cell angles         0

  Synchrotron source geometry 
  Mosaic spread (DEG)              0.512042
  Horizontal beam diverg (DEG)     0.100000
  Vertical beam diverg  (DEG)      0.020000
  Conventional spectral dispersion 0.001500
  Correlated spectral dispersion   0.000000

 Initial orientation angles (DEG):     -0.01     -0.03      0.00
 Reciprocal cell dimensions:
  0.018984 0.018984 0.006216   90.00   90.00   90.00

  Total number of reflections = 1773
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

          PARAMETER REFINEMENT PASS  2

 Reflections rejected if angular error >  0.13 deg.

 Number of reflections rejected:    44
 Sum of (RO-RC)/D*)**2 =   0.00105082 Rms Resid =    0.045 degrees

           PSIX      PSIY      PSIZ    Refined reciprocal cell parameters
   Old      0.006    -0.001     0.001  0.018981  0.006216
 Shifts               0.000     0.000 -0.000001  0.000000
   New      0.006    -0.001     0.001  0.018980  0.006216
  S.D.                0.003     0.002  0.000003  0.000001

         Mosaic spread
   Old    0.483
 Shifts   0.000
   New    0.483
  S.D.    0.006

            Refined Orientation Angles
          PHIX       PHIY       PHIZ
           -0.009    -0.025     0.002

         Mosaic spread
   New    0.483
  S.D.    0.006

          Reciprocal cell parameters
       0.018980  0.018980  0.006216    90.000    90.000    90.000

          Real cell parameters
         51.616    51.616   157.605    90.000    90.000    90.000


     Orientation Matrix [A] or [UB]               Matrix [U]
      -0.006618 -0.017241 -0.001435      -0.348662 -0.908377 -0.230837
       0.017446 -0.007203  0.000653       0.919208 -0.379509  0.105025
      -0.003473 -0.003332  0.006013      -0.183008 -0.175570  0.967308

 Smoothed value for refined mosaic spread (including safety factor):   0.51


 New orientation matrix written to (keyword NEWMAT): xiarefine.mat
 The missetting angles in this file are the refined missets for the FIRST image
 in the post-refinement.

FORMATTED      UNKNOWN file opened on unit  12
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: xiarefine.mat, Filename: xiarefine.mat
<!--SUMMARY_END--></FONT></B>



 Cell refinement is complete
 Starting cell   51.821   51.821  158.103   90.000   90.000   90.000
 Refined cell    51.616   51.616  157.605   90.000   90.000   90.000
 Error            0.008    0.008    0.015    0.000    0.000    0.000

 Rms positional error (mm) as a function of cycle for each image.
      Image   1     2     3     4
 Cycle 1    0.037 0.036 0.053 0.041
 Cycle 2    0.041 0.039 0.059 0.040
 Cycle 3    0.040 0.070 0.042 0.045
 Cycle 4    0.038 0.044 0.042 0.043


 YSCALE as a function of cycle for each image:
      Image   1     2     3     4
 Cycle 1    0.998 0.999 0.999 0.999
 Cycle 2    0.999 0.999 0.999 0.999
 Cycle 3    0.999 0.999 0.999 0.999
 Cycle 4    0.999 1.000 1.000 0.999


 Detector distance as a function of cycle for each image:
      Image   1     2     3     4
 Cycle 1    170.4 170.4 170.4 170.4
 Cycle 2    170.1 170.0 170.0 170.0
 Cycle 3    169.8 169.6 169.7 169.7
 Cycle 4    169.7 169.6 169.6 169.6

 Refined mosaic spread (excluding safety factor):   0.49


 Missets for first image (   1) -0.02 -0.05  0.02
 Missets for last image  (   4) -0.01 -0.03  0.00



 *********** END OF PROCESSING *****************
