DIALS

Revision as of 13:13, 24 April 2023 by Karsten (talk | contribs)

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: (https://github.com/dials/dials/blob/main/src/command_line/import_xds.py) if available.

Additional info: (github.com/dials/dials/issues/2205)