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DIALS core meeting 2021-02-11


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Construct Experiments directly rather than via DataBlocks #288

(already has a merge conflict)

This was discussed in the open action points above.

dials.index: create new experiments

dials.index should (or should not) create new experiments with crystals in rather than modifying in place existing experiments as proposed in this issue (#1029)

ASB ran this test during the meeting and added results to the ticket. Results look favourable.

Change in behaviour would only affect dials.index command line program, not the API call (thus not stills processing).

If dials.index gets a single experiment and can’t find a lattice - should it write out the input file as is – ie. not add a lattice, not reassign experiments, #1080? Sentiment is that it should definitely still terminate with a non-zero exitcode for scripting purposes. Writing out the input file means users may pass the file on to dials.refine and get hit with an even less informative error message.

Renaming mastermain

xia2 has now renamed its main branch. Plan is to do the same with DIALS and dxtbx in <2 weeks time.

Next meeting

Thursday, February 25th, 4pm UK time, 8am PDT.