COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
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category keys for `PD_CALIB_XCOORD` and `PD_CALIB_XCOORD_OVERALL` #143

Closed rowlesmr closed 1 year ago

rowlesmr commented 1 year ago

As discovered in https://github.com/COMCIFS/Powder_Dictionary/issues/56#issuecomment-1584610839, PD_CALIB_XCOORD needs _pd_calib_xcoord.diffractogram_id.

PD_CALIB_XCOORD_OVERALL may not need _pcxo.id. I need to recheck the examples. but that is tomorrow's job.