DIALS core meeting 2023-09-21

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
• JBE: Solve “multiplex: Duplicate Batch offsets detected” xia2#430 (prev) (not urgent)
• 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
  • Reports from CCP4 workshop that people are having issue on latest ubuntu
• ND: Investigate using stable-nightly conda builds of cctbx (e.g. cctbx tests) longer term

Agenda

SerialTBX status update (prev).

• cctbx#872 now marked ready for review
  • Awaiting NKS approval
• dxtbx will break when changes applied, until next cctbx release
  • Planning to switch to cctbx nightly for dxtbx/dials tests
• ND: Update CI to do this, let AB know when ready to merge

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

• dials#2488
• Pilatus3 1M at BL02B1, SPRING-8 appears to be transposed!!??!?
• Graeme got some info from Kunio, Takanori seems to be looking at
• Seems to be no explanation for the very odd inverted-detector behaviour
  • Done for Crysalis convention
  • Takanori appears to have Format class in hand
  • Okay to ignore the exceptionally different files as no timestamp and no longer generated
• Take a look at state of things in a couple of weeks

dials.cosym finds the right operator but puts it wrongly

• dials#2486
• Draft PR at https://github.com/dials/dials/pull/2497
• Pulled in other problems that need to be worked through
• Potential fix opened a large box of problems
• GW believes needs a rethink and a rewrite and patching is essentially impossible
• GW and DP to discuss on 27th

AOB?

Cosym: don’t fill wij matrix where the overlap is less than min_pairs

• https://github.com/dials/dials/pull/2503
• ND: Test with full dials regression tomorrow and merge

Next meeting

Thursday, October 5th, 4pm (BST), 8am (PDT)