Changes

839 bytes added ,  17:02, 25 November 2014
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  REFLECTING_RANGE=  1.100  REFLECTING_RANGE_E.S.D.=  0.157
 
  REFLECTING_RANGE=  1.100  REFLECTING_RANGE_E.S.D.=  0.157
 
Copy them to XDS.INP. Restore the original DATA_RANGE and continue.
 
Copy them to XDS.INP. Restore the original DATA_RANGE and continue.
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Another error mode of INTEGRATE (in processing of small-molecule data) is ...
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IMAGE IER  SCALE    NBKG NOVL NEWALD NSTRONG  NREJ  SIGMAB  SIGMAR
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    5  0  0.975  3968463    1      5      1    0  0.1028  1.3486
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    6  0  0.967  3969949    2      2      2    0  0.1688  0.0000
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    7  0  0.929  3975306    0      3      0    0  0.0000  0.0000
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  !!! ERROR !!! CANNOT ALLOCATE MEMORY
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              YOU COULD RERUN THIS STEP WITH SMALLER VALUES FOR THE PARAMETERS
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              NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA=
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              NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA=
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The error message is misleading in this case: there are too few reflections to build the average profile. The fix is: restart INTEGRATE after inserting e.g.
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DELPHI=20 ! default is 5, so try with e.g. 10, 20, 45, 90, 180
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and re-run INTEGRATE.
    
== See also ==
 
== See also ==
2,527

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