DIALS core meeting 2025-12-04

Previous Actions

• ND Investigate getting psana tests running on the DIALS xfel-regression testing
• ND: Move dials.diamond.ac.uk to a redirect to dials.github.io
• ND: Remove from DIALS bootstrap dials/dials#3030
• DGW: Make issue to discuss moving of dials-data to more appropriate place. –> https://github.com/dials/data/issues/529

Agenda

Zoom link

• ND: Turn off the “Nick needs to start meeting” button for the core meetings

Metrics

• 2025-09-25 - dxtbx-side merged in, nothing yet in DIALS side to push it into the mtz history https://github.com/cctbx/dxtbx/pull/816
• Needs to be work to put in on DIALS side
• Work to do:
  • Need to package history into MTZ, but MTZ history not the right place. Decided MTZ-appendix is the right place to put this in, but work not started yet
  • Aaron has offered Yang’s skills as his work should cover this area
  • Write integrate and scale history to MTZ #2924
  • David to dig relevant information out
• MTZ Appendix: Some controversy
  • Phenix/DIALS not included in discussions
  • Fundamental technological issues
    • Mixing MTZ/CIF
• Gemmi supports
• AB met with BP/DGW/Oleg/Dorothy and talking about MTZ appendix issue
  • Conclusion: Nobody completely happy, AB to approach Clemens and get conversation going
• Dan Paley found issue with profiling and MTZ appendix https://github.com/cctbx/dxtbx/pull/867
  • Agreed looks reasonable
  • Requested David to have a look

AOAOB

• Hamburg: imageset, sequences, laziness so it works on 100,000 image HDF5 files
• Did some work in a branch to get stills_process to use imagesequences
• Nick did some work to eliminate need for check_format
• All of this is in branches that have not been revisited
• Discussion about still goniometer dogma
• Probably table for new year

ImageSequence vs ImageSet

• Marko is working on an NXmx-like format class for SerialED, where the beam position changes each image
• It seems not possible to use ImageSequence for this, as it does not allow different models per image. Is this correct?
• ImageSet works, but import and viewing images is much slower
• Is there a long term plan to converge to just one of these classes, with all performance and feature issues fixed?
• Suggestion to look at DMcD properties table
• Discussion about serialization/deserialization overhead, brief discussion of using another form e.g. hdf5 or sqlite (for Experiment Lists).
• Discussion of existing uses of mixin inheritance

APS Workshop

• GW had conversation about expanding workshop scope. Was half-day, thought maybe a full day - scope expanded to e.g. serial processing
• May 4th-8th 2026 two half-days of DIALS workshop probably
• Some travel funding available, potentially from outside US
• Proposal submitted, no reply yet, probably not before Christmas
• AB says RAPID data also approached us about DIALS workshops there

Tweak to LICENSE

• See https://github.com/dials/dials/issues/3056. Came up regarding copyright assertion in PR from Olex2
• Everyone seemed relatively OK with it

AOB

• Webinars: GW did one yesterday for NSLSII, requests for a couple more…
  • ED, xia2.ssx and stills_process requests
  • JBE happy to approach
  • Chat to DGW about ED
  • Dan nominated by AB to prepare for stills_process
  • GW to email, coordinate

• GW patch to resolve dectris metadata change

• ND to investigate effort required for installer build issue resolution

Next meeting

Cancelled

Thursday, December 18th, 4pm (GMT), 8am (PST), 10am (CST)

15th Jan. Next meeting.