editing scans: there should be a dials program between indexing and refinement which does this #1056
graeme-winter
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Activity ongoing on this in the "expeditor" branch |
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Discussion topic from this morning -
At the moment
dials.refine
will trim experimentscan
objects if there are no reflections. It does not handle complex cases e.g. crystals moving in / out of beam etc. and - perhaps - is not fitting in with the original remit of the program.Proposal floated from discussion with @dagewa this morning - we have a new program which can optionally sit between
dials.index
anddials.refine
which can be used to edit the models to allow refinement to be possible - in most cases this is not necessary butdials.refine
can check the input and if invalid (e.g. no observations available for scan varying refinement) abort and ask that the input be tidied before attempting again.This will allow us to have the book keeping code for editing scans etc. to be useful and in one place, not embedded in refinement where it perhaps does not belong.
This would imply removing the functionality from
dials.refine
It would also mean testing this functionality would become trivial.
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