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Generate XDS.INP: Difference between revisions
→The script
(→The script: REVISION="0.64 (16-Jun-2016)" reverse phi @APS 19ID (reported by Wolfram Tempel)) |
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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 | ! since XDS 01-MAR-2015, POSITION supersedes DISTANCE. DISTANCE only for compatibility w/ old XDS. | ||
! nowadays headers are usually correct so refine DISTANCE/POSITION in INTEGRATE but not IDXREF | ! nowadays headers are usually correct so refine DISTANCE/POSITION in INTEGRATE but not IDXREF | ||
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! | REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! POSITION | ||
REFINE(INTEGRATE)= DISTANCE POSITION BEAM ORIENTATION ! AXIS CELL | REFINE(INTEGRATE)= DISTANCE POSITION BEAM ORIENTATION ! AXIS CELL | ||
! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS DISTANCE POSITION ! Default is: refine everything | ! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS DISTANCE POSITION ! Default is: refine everything | ||