DIALS: Difference between revisions
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If a data set can be processed with [https://dials.github.io/index.html DIALS] and should be | If a data set can be processed with [https://dials.github.io/index.html DIALS] and should be processed with XDS, but no XDS.INP is available (e.g. because [[generate_XDS.INP]] does not know the detector): | ||
[https://dials.github.io/documentation/programs/dials_export.html Exporting XDS.INP and XPARM.XDS from DIALS:] | [https://dials.github.io/documentation/programs/dials_export.html Exporting XDS.INP and XPARM.XDS from DIALS:] | ||
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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 [https://github.com/dials/dials/blob/ | Conversely, DIALS can [https://github.com/dials/dials/blob/main/src/dials/command_line/import_xds.py import XDS.INP] if available. | ||
[https://github.com/dials/dials/issues/2205 Additional info] | |||
Latest revision as of 18:57, 24 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 if available.