DIALS core meeting 2023-08-10

Previous Actions

• ND: PR to remove std::string support for messagepack from dials code
• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• Dropping Data Blocks (#504 #570)
  • ND: Look at DIALS failures and work out what needs to be migrated
  • Has been movement as DGW started investigating: https://github.com/dials/dials/pull/2465
• AB: Check test case on Multidimensional Images dxtbx#612 is reasonable
• DP: Add msgpack “hot” path to include environment in cctbx (prev)
  • Work in https://github.com/cctbx/cctbx_project/commit/03a9a6797044126984a69ff30d00be6df408e43a, pending approval/merge
• [not until august at least] JBE: Solve “multiplex: Duplicate Batch offsets detected” xia2#430 (prev)
• AB: Check if RG test cases on dxtbx#612 “Multidimensional Images” are appropriate
  • A dependency of dxtbx#615 NX Writer (prev) so promote this to agenda again when done
• AB: Moving forward serialtbx changes (prev). cctbx#872 seems immediate blocker.
• ND: Look at dials-support “Error importing .cbf files using DIALS”
• ND or DW: Cannot view reciprocal lattice using dials.reciprocal_lattice_viewer #2443
  • Probably needs someone to dig into windows gltbx behaviour, or at least work out where issue lies

Agenda

NXMX multimensional images

• Now ready to merge

NX Writer

• Ready for (re-)review
• People look over again
• Run manual, separate testing against DIALS
• Nick to fixup commit and merge tomorrow

dials.stills_process refactor

• Made much more efficient when having mixed image sizes so that each rank doesn’t need to do all the import itself

Removing XFEL dependency from DIALS

• dials#2390
• We’d like to talk about merging this, and then re-removing once serialtbx is ready
  • Agreed, revert will go at top of serialtbx
  • Serialtbx may be ready very soon!!!!

DIALS-support “Error importing .cbf files using DIALS”

• dials#2488
• Pilatus3 1M at BL02B1, SPRING-8 appears to be transposed!!??!?
• Looks too complicated to solve easily, wondering if anyone experienced
• Graeme going to chat to Kunio Hirata

dials.cosym finds the right operator but puts it wrongly

• dials#2486
• DP will try to have a look on Monday

AOB?

Small Cell!

• https://github.com/dials/dials/pull/2477
• cctbx.xfel.small_cell_process currently discards dials indexer
  • lots of things that the dials-index pipeline needs isn’t done
  • Been working on: dials.stills_process work instead, using DGW small-cell indexer
  • Works well - possibly making small_cell_process redundant
  • Lots of ongoing discussion

Next meeting

Thursday, August 24th, 4pm (BST), 8am (PDT)