--- name: DIALS core meeting 2023-06-15 tags: core meeting --- # DIALS core meeting 2023-06-15 ## 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](https://github.com/cctbx/dxtbx/pull/504)~~ [#570](https://github.com/cctbx/dxtbx/pull/570)) - [ ] **ND**: Look at DIALS failures and work out what needs to be migrated - [ ] **RG**: Investigate `dials.cosym` applies an incompatible reindexing operator ([`dials/2320`](https://github.com/dials/dials/issues/2320)) ([prev](https://dials.github.io/kb/core/2023-03-09#dialscosym-applies-an-incompatible-reindexing-operator)) - [ ] **AB**: Check test case on Multidimensional Images [dxtbx#612](https://github.com/cctbx/dxtbx/pull/612) is reasonable - [ ] **DP**: Add msgpack "hot" path to include environment in cctbx ([prev](https://dials.github.io/kb/core/2023-05-04#msgpack-httpsgithubcomdialsdialspull2409)) - [ ] Work in https://github.com/cctbx/cctbx_project/commit/03a9a6797044126984a69ff30d00be6df408e43a, pending approval/merge - [ ] **JBE:** Solve https://github.com/xia2/xia2/issues/430 ## Agenda ### NX Writer! ([prev](https://dials.github.io/kb/core/2023-05-04#nx-writer-prev), [prev](https://dials.github.io/kb/core/2023-03-09#aob)) - https://github.com/cctbx/dxtbx/pull/615 - Dependent on [dxtbx#612 "Multidimensional Images"](https://github.com/cctbx/dxtbx/pull/612) - Richard added basic test case -> **Aaron** is ok? ### Removing circular xfel dependencies with serialtbx - Set of PRs to implement - CCTBX: https://github.com/cctbx/cctbx_project/pull/872 - contains descriptions of all changes made - dxtbx: https://github.com/cctbx/dxtbx/pull/627 - dials: https://github.com/dials/dials/pull/2404 - iota: https://github.com/ssrl-px/iota/pull/5 - xfel_regression https://gitlab.com/cctbx/xfel_regression/-/merge_requests/10 - We all need to look at things - Schedule some time next week at DLS to look over these PRs - ND reviewed, looks OK ~~, please can we hold off from merging until the dust settles from scan and polybeam changes.~~ - ASB happy for this to hold off a couple weeks for non-technical reasons ### NXMX - Discussion about dynamic masking in NXmx. - Defer until DP back, recollection on this discussion is fuzzy - Possibly: - https://github.com/dials/nxmx/pull/17 - https://github.com/cctbx/dxtbx/pull/629 - [x] Action: RG to have look at - [ ] Suggested alternate NXmx change https://github.com/dials/nxmx/pull/21 - Discussion concluding that "Static" is probably okay for "Precaculated" masks, even if it changes from frame-to-frame, and "Dynamic" would imply calculated at anaylsis. - General agreement that this is fine, as long as we clarify the meaning of static on the function docstring - https://github.com/cctbx/dxtbx/blob/842d45939160d47829e03776a98f671f15ae16a2/src/dxtbx/format/FormatMultiImage.py#L17 - Discussed motivations, AB & DP going to go back and validate that it fulfills the requirements of the data processing that was intended by these changes - Re-address when ready for submission again ### xia2.multiplex fails because "Duplicate batch offsets detected" - Longstanding (>3 years) issue: https://github.com/xia2/xia2/issues/430 - Now getting reports from real user data - Potential solution suggested to never share Scan objects [cctbx/dxtbx#152](https://github.com/cctbx/dxtbx/issues/152) - [ ] implement non-sharing of Scan objects - no logic for doing so, since readonly? - [ ] **JBE**: Do this ### Imageset slicing broken - https://github.com/cctbx/dxtbx/issues/633 - Fix now ready at https://github.com/cctbx/dxtbx/pull/634 and https://github.com/dials/dials/pull/2411 - Anyone else want to look? - When merged, will require reversion of changes to azure-pipelines YML files to checkout specific dxtbx branch - [ ] DGW thinks this one can be merged without contention - needs sync'd repo merge - [ ] rebase this branch on top of Scans branch & run tests - [ ] Tie off loose ends and merge internally - [ ] **ND** Merge tomorrow ### bit_depth_imageset - Forthcoming NIAC meeting, GW proposal to add should pass - Pragmatism! - Current Nexus code camp: To be discussed and hopefully agreed this week ## AOB? - CHESS SSX Workshop upcoming https://indico.classe.cornell.edu/event/2248/overview - Aaron Finke was asking Graeme if we had considered how to address the memory requirement issues. - ND: Don't think you could refactor, think would need to re-approach the problem - AB: New grant application mentions this issue, would potentially have resources to assign people to the problem ### Next meeting Thursday, June 29th, 4pm (BST), 8am (PDT)