--- # System prepended metadata title: DIALS core meeting 2026-04-09 tags: [core meeting] --- --- name: DIALS core meeting 2026-04-09 tags: core meeting --- # DIALS core meeting 2026-04-09 ## Previous Actions - [ ] **ND** Investigate getting `psana` tests running on the DIALS xfel-regression testing - [x] **ND**: Move dials.diamond.ac.uk to a redirect to dials.github.io - Caveat: Sub-path links either work or not, do not get redirected - ## Agenda ### IUCR DIALS Workshop final agenda Final IUCr DIALS Workshop agenda: - 8am: welcome and intro to DIALS and data processing (talk/demo) (Graeme/Aaron) - 9am: hands on tutorial 1 (all) - 10am: multi-crystal and trouble shooting (talk/demo) (Nick D) - 10:30 coffee - 11am: hands on tutorial 2 (all) - 11:30am: How to expand DIALS into other use cases (10 min flash talks) - Rick Hewitt (Laue, confirmed) - Aaron Finke (neutron, confirmed) - David Mittan-Moreau (electron, confirmed) 2026-03-12: - We had asked for multiple rooms for parallel streams. Offered four rooms! - Original plan: ![image](https://hackmd.io/_uploads/rkT4EDgq-x.png) - Mostly agreed to go back to this, will be passed to IUCR - Two things not set in stone: - Want talk titles: Want by end of week - Wanted to rearrange, Graeme was pushing back a bit. AI!!!!111 ### Berlin Diffraction Methods - Dan from LBL going - Discussion about NOBUGS - Nexus NIAC Fri-Sun - Possibilty of weighting more general interest into first day of satellite meetings onto Fri morning session - https://indico.xfel.eu/event/2/overview - Will be a call for abstracts ### Other CI Issues - Installers failing on our internal CI machines. Down to launch logic in https://github.com/dials/dials/blob/e91f5f66368ec546b160ccfd2fbd30b2926a65de/installer/create_installer.py#L36-L52 that prefers python2.7 if available - looks like conda-pack switched to requiring python 3. - Probably easiest way for now is to just use `python`/`python3` and remove the fallbacks. - DIALS release 3.28 been asked for - hopefully will solve other background issues ### 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 ](https://github.com/dials/dials/pull/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 - All agreed, merge after newsfragment - Merged! - **AB:** To make meeting with Clemens to try to find agreement that we probably need to just go with this ### Hamburg Work - 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 ### 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 - Marko raises issue where ArgumentParser processes diffs twice, possibly this affects only ImageSet - Aaron has a lot to discuss with this ### Shoebox object size - DW raises performance issues, particularly with dials.integrate - Found issues [The Shoebox struct is overweight](https://github.com/dials/dials/issues/3117) - WIP: https://github.com/dials/dials/pull/3119 ### New issues for discussion - https://github.com/dials/dials/issues/3110 dials.index with max_lattices >= 2: rejection criteria. - We think related to known symmetry - Wait until Graeme here - Long discussion about integration memory usage and sample datasets. ## AOB ### General AI development chats - Marko Demoing his prototype RLV - Nick demo's SSX live - Also Aaron had slides exploring implementation from scratch of an analysis package - We are going to need to come up with some at-least soft policies ### Next meeting Thursday, April 23rd, 4pm (BST), 8am (PDT), 10am (CDT)