DIALS core meeting 2021-03-25

Previous Actions

• MG: organise a typing intro lecture, likely to happen in Q2.
• ND to set up a cbflib_adaptbx pull request for MAR detector fixes. Verify with labelit_regression.
• ASB to run tests on dxtbx#288 as per comment
  • DP to try and generate a non-psana reproducer for the issue found by ASB
• dx2 proposal
  • MG to put in a PR to create a proposal in the proposal-space
  • MG+ND: Come up with a proposal to move away from all code being in header files and consolidate into a single library
• Move to hdf5plugin
  • MG to come up with a set of spells to use hdf5plugin
  • GW to run a performance comparison
    • Provided an initial version of performance comparison code: https://gist.github.com/ndevenish/bf03b390adddb33089a8c6a70e8f4936 - we can run this with different plugins to assess whether there is any difference in run-time just paging through the data.
  • Need to test that the conda-forge package isn’t over-optimized by running on ws133

Agenda

Discuss changes merged into cctbx modify_cosym

• Hooking into cosym to do functionality, which was inadvertantly broken by code changes at Diamond
• (Discussion about differences between Brehm/Diederichs and what Cosym is doing)
• Limiting B/D to indexing ambiguity avoids problems with trying to match full sets of symmetry operators together

Deferred to next meeting

cbflib conda-forge package

• ASB to organise a side-meeting next to the HDRMX workshop
• Discuss outcome from HDRMX meeting and next steps
• What happes with cbflib maintenance in the future (previously: ASB to explore, but thought worth discussing again)

dxtbx#288 “Construct Experiments directly” post-merge outstanding issues

• dxtbx/#336 - DataBlockFactory broken for single images
• dxtbx/#337 - adding XFAIL test for #336

Next meeting

Thursday, April 8th, 4pm UK (BST), 8am PDT.