DIALS core meeting 2022-11-10

Previous Actions

• std::string support for messagepack. This is used in XFEL module, should try to fix. dials/dials#1858.
  • Is using pickle until this is fixed, so probably good to do
  • AB Added to codecamp list. Might get to this!
  • Looking at this week. Removing seems acceptable and probably the easiest solution
• AB: Complete coordinate updates (Fix beam center and intensity readout of pixel coordinates)
• https://github.com/cctbx/dxtbx/issues/559
  • GW: Checks to see what affects.
  • AB: Make PR for above
• Nick Investigate getting psana tests running on the DIALS xfel-regression testing
• GW: https://github.com/cctbx/dxtbx/issues/562 - create a one-page summary on projecting resolution rings onto a matplotlib image
• ND: Unpin setuptools in DIALS builds

Agenda

TOFBeam

• AB Met with DmD and Laue-interested groups and was impressed by work
• Derived new classes from the refiner!
• January for resubmitting these to DIALS
• Action: Have meeting about this in new year, want to work out strategy for getting in ASAP in new year

LBL Codecamp

• Got to lots of small improvements
  • cctbx-XFEL testing
  • Beam center /intensity readout issues
  • NXmx equipment components
  • Contiguous Nexus (redndant slicing PR)
  • Reflection subsampling in stills_process

Dropping Data Blocks

https://github.com/cctbx/dxtbx/pull/504

• GW PR
• After PR/PRs, ASB to contact e.g. Mike Wall about this, too.
• GW thinks reasonable to merge when these concerns addressed
• Waiting on AB now, will get sorted as soon as can
• Progress!
  • DataBlock in Lunus is one of the outstanding issues
    • AB Identified scripts, Mike Wall agreed that they should be deprecated
    • This is Done! Was entirely in deprecated scripts that weren’t being used any more
  • XFEL repos are still WIP
    • ls49
    • cxid9114 (this should be fixed)
• Planned time to work on this stuff in October
• Just after branch for 3.12 release of DIALS merge this
• Did this! However… this broke a lot. We reverted and made again, but a bit more complete.
• Currently actively being worked on

Stills to sequences

https://github.com/dials/dials/pull/2273

• dials.import convert_stills_to_sequences=True broken for h5 data - several github issues relating to this (see PR above for links)
• With current dxtbx code, PR does not work for formats that include lazy formats (e.g. SACLA test data), due to an assertion in FormatMultiImage.py: https://github.com/dials/dxtbx/blob/7494dc0332f94c0d4593865f82c7c08a88ae65ea/src/dxtbx/format/FormatMultiImage.py#L215 What is the rationale behind this assertion (developer warning/sanity check?), can it be removed (seems to work fine if removed)?
• Everyone go and reaffirm their understandings and find out what the real reasons/solutions could be

NXMX Python

https://github.com/dials/nxmx

• Important to be able to work on/modify directly in a bootstrap environment, make sure that this can be added as a likewise dependency
• Nexpy?

AOB?

Logging

• ND: Look at https://github.com/dials/dials/pull/2263

RANSAC Indexing

• https://github.com/dials/dials/pull/2275
• Planning to merge soon
• Brief discussion on whether this should be added to main dials.index

Next meeting

Thursday, November 24th, 4pm (GMT), 8am (PST)

• No - this is thanksgiving. Next is 8th December.