DIALS: Difference between revisions
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dials.export models.expt indexed.pickle format=xds # XDS.INP, XPARM.XDS and SPOT.XDS | dials.export models.expt indexed.pickle format=xds # XDS.INP, XPARM.XDS and SPOT.XDS | ||
Conversely, DIALS can | Conversely, DIALS can import XDS.INP: (github.com/dials/dials/blob/main/src/command_line/import_xds.py) if available. | ||
Revision as of 21:36, 22 April 2023
If a data set can be processed with DIALS and should be processed with XDS, but no XDS.INP is available (e.g. because generate_XDS.INP does not know the detector):
Exporting XDS.INP and XPARM.XDS from DIALS:
dials.export strong.pickle format=xds # SPOT.XDS dials.export indexed.pickle format=xds # XPARM.XDS and SPOT.XDS dials.export models.expt format=xds # XDS.INP, XPARM.XDS dials.export models.expt indexed.pickle format=xds # XDS.INP, XPARM.XDS and SPOT.XDS
Conversely, DIALS can import XDS.INP: (github.com/dials/dials/blob/main/src/command_line/import_xds.py) if available.