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
(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="0.34 (27-May-2013)"
# 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=7000. 30000. ! often 8000 is ok
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 scaling with the keyword  
!                           Ice rings can be excluded from indexing and scaling with the keyword  
!                               EXCLUDE_RESOLUTION_RANGE, e.g. EXCLUDE_RESOLUTION_RANGE=2.28 2.22
!                           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
!                          It is important to note that TRUSTED_REGION is the only resolution
!                          cutoff obeyed during indexing and integration;
!                          Both INCLUDE_RESOLUTION_RANGE and EXCLUDE_RESOLUTION_RANGE are
!                          ignored during IDXREF and INTEGRATE. So this parameter can be
!                          important when indexing or integration steps fail.


!****************************************************************************************
!****************************************************************************************
!Other parameters:
!Other parameters:
!****************************************************************************************
!****************************************************************************************
VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=7000. 30000. ! Often 8000 is ok.
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
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