Generate XDS.INP: Difference between revisions

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→‎The script: revision 0.80
(→‎The script: revision 0.80)
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# revision 0.77 . KD 19/12/2017 obtain QX QY from CBF header.
# revision 0.77 . KD 19/12/2017 obtain QX QY from CBF header.
# revision 0.78 . KD 21/12/2017 if possible and sensible, provide LIB= line with hardcoded /usr/local/lib64/dectris-neggia.so .
# revision 0.78 . KD 21/12/2017 if possible and sensible, provide LIB= line with hardcoded /usr/local/lib64/dectris-neggia.so .
# revision 0.79 . KD 16/01/2018 read OVERLOAD from Pilatus miniCBF header instead of fixing at 1048576  
# revision 0.79 . KD 16/01/2018 read OVERLOAD from Pilatus miniCBF header instead of fixing at 1048576
REVISION="0.79 (16-Jan-2018)"
# revision 0.80 . KD 13/02/2018 remove DISTANCE keyword from REFINE() list; remove POSITION from REFINE(IDXREF)
REVISION="0.80 (13-Feb-2018)"


#                                                                                                             
#                                                                                                             
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! close spots/long cell axis: reduce SEPMIN and CLUSTER_RADIUS from their defaults of 6 and 3
! close spots/long cell axis: reduce SEPMIN and CLUSTER_RADIUS from their defaults of 6 and 3
! SEPMIN=4  CLUSTER_RADIUS=2 ! should be default for Pilatus and other detectors with low PSF
! SEPMIN=4  CLUSTER_RADIUS=2 ! should be default for Pilatus and other detectors with low PSF
! since XDS 01-MAR-2015, POSITION supersedes DISTANCE. DISTANCE only for compatibility w/ old XDS.
! since XDS 01-MAR-2015, POSITION supersedes DISTANCE.
! nowadays headers are usually correct so refine DISTANCE/POSITION in INTEGRATE but not IDXREF
! nowadays headers are usually correct so refine POSITION in INTEGRATE but not IDXREF
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS POSITION ! works best with XDS >= BUILT=20170720
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS  ! refine POSITION only if known that header distance inaccurate
REFINE(INTEGRATE)= DISTANCE POSITION BEAM ORIENTATION ! AXIS CELL
REFINE(INTEGRATE)= POSITION BEAM ORIENTATION ! AXIS CELL
! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS DISTANCE POSITION ! Default is: refine everything
! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS POSITION ! Default is: refine everything


! parameters specifically for this detector and beamline:
! parameters specifically for this detector and beamline:
2,684

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