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Generate XDS.INP: Difference between revisions
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version 0.35 - document use of INCLUDE/EXCLUDE_RESOLUTION_RANGE by IDXREF; lower DEFPIX cutoff from 7000 to 6000
m (→The script) |
(version 0.35 - document use of INCLUDE/EXCLUDE_RESOLUTION_RANGE by IDXREF; lower DEFPIX cutoff from 7000 to 6000) |
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# revision 0.33 . Keitaro 5/2013 - automatically set ROTATION_AXIS=-1 0 0 for SPring-8 BL32XU/41XU/44XU beamlines based on detector serial numbers. | # revision 0.33 . Keitaro 5/2013 - automatically set ROTATION_AXIS=-1 0 0 for SPring-8 BL32XU/41XU/44XU beamlines based on detector serial numbers. | ||
# revision 0.34 . Keitaro 5/2013 - recognize ADSC detectors in Photon Factory and choose correct beam center convention based on detector serial numbers. | # revision 0.34 . Keitaro 5/2013 - recognize ADSC detectors in Photon Factory and choose correct beam center convention based on detector serial numbers. | ||
REVISION="0. | # revision 0.35 . KD 6/2013 - reduce 7000 to 6000 for shadow detection; insert comment about *_RESOLUTION_RANGE lines | ||
REVISION="0.35 (11-June-2013)" | |||
# | # | ||
# usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | ||
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UNIT_CELL_CONSTANTS= 70 80 90 90 90 90 ! put correct values if known | UNIT_CELL_CONSTANTS= 70 80 90 90 90 90 ! put correct values if known | ||
INCLUDE_RESOLUTION_RANGE=50 0 ! after CORRECT, insert high resol limit; re-run CORRECT | INCLUDE_RESOLUTION_RANGE=50 0 ! after CORRECT, insert high resol limit; re-run CORRECT | ||
! IDXREF now obeys INCLUDE_RESOLUTION_RANGE and EXCLUDE_RESOLUTION_RANGE to exclude ice-rings | |||
FRIEDEL'S_LAW=FALSE ! This acts only on the CORRECT step | FRIEDEL'S_LAW=FALSE ! This acts only on the CORRECT step | ||
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! parameters with changes wrt default values: | ! parameters with changes wrt default values: | ||
TRUSTED_REGION=0.00 1.2 ! partially use corners of detectors; 1.41421=full use | TRUSTED_REGION=0.00 1.2 ! partially use corners of detectors; 1.41421=full use | ||
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= | VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=6000. 30000. ! often 7000 or 8000 is ok | ||
STRONG_PIXEL=4 ! COLSPOT: only use strong reflections (default is 3) | STRONG_PIXEL=4 ! COLSPOT: only use strong reflections (default is 3) | ||
MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | ||
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INCLUDE_RESOLUTION_RANGE=50 0 ! After CORRECT, insert high resol limit; re-run CORRECT | INCLUDE_RESOLUTION_RANGE=50 0 ! After CORRECT, insert high resol limit; re-run CORRECT | ||
! | ! Ice rings can be excluded from indexing and scaling with the keyword | ||
! | ! EXCLUDE_RESOLUTION_RANGE, e.g. EXCLUDE_RESOLUTION_RANGE=2.28 2.22 | ||
!SECONDS=60 !Uncomment this line to tell XDS to wait 1min for the next image before aborting. | !SECONDS=60 !Uncomment this line to tell XDS to wait 1min for the next image before aborting. | ||
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TRUSTED_REGION=0.00 1.2 ! Partially use corners of detectors; 1.41421=full use, 1.0=edge | TRUSTED_REGION=0.00 1.2 ! Partially use corners of detectors; 1.41421=full use, 1.0=edge | ||
!**************************************************************************************** | !**************************************************************************************** | ||
!Other parameters: | !Other parameters: | ||
!**************************************************************************************** | !**************************************************************************************** | ||
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= | VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=6000. 30000. ! Often 7000 or 8000 is ok. | ||
STRONG_PIXEL=4 ! COLSPOT: only use strong reflections (default is 3; 6 may be better for strong data) | STRONG_PIXEL=4 ! COLSPOT: only use strong reflections (default is 3; 6 may be better for strong data) | ||
MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | ||