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DIALS core meeting 2022-02-17

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Dropping Data Blocks

Drops data blocks from radial average. All good -> merge. We should enumerate where data blocks are actually used. DIALS, dxtbx, xia2, … we should make that list.

DXTBX conda package

This we believe now exists and works. Does that mean that pycbf got in there with many attributions as we previously discussed?

Add option for dxtbx’s libtbx_refresh to not modify conda_base

This is queued behind catching up with Nick - it turned out to be involved.

Contiguous Nexus

PRs to remove std::string from messagepack

Commentary: ASB and crew have 5 experiments over the next few weeks; so yeh a bunch of stuff is gonna get bumped.

Merging of tables/experiments

Looks good, for JBE to squash and merge.

Still process

ASB wants to put diffbrag stage 1 into dials.stills_process as a refinement engine. Depends on simtbx. This is very much dependent on GPU. Can use OMP etc.


What should we do with “experimental” matters? Should new experimental programs go in? Trying to dig out legacy potatoes was a nightmare, so there is an argument for adding it on a live branch where you can merge main in from time to time.

New business -

PSANA does not work like reading CBF files; it aggregates information into a data source, so gives you an API for reading data which is on disk somewhere. So, there are locator files on disk. -> FormatXTC + a few sibclasses. Phil file does all the “how we find things” stuff. This PR adds “get_spectrum”.

Changes appear limited to FormatXTC, adds ability to return a spectrum object.

Some tests failed, that’s weird. Something about HTTP versions.

Image Viewers

GW made a napari image viewer. It was slow. Flumpy helped some. It did appear to work. Need to decide where we take this. Folks want to get added to the image viewer working discussion stuff.


Release now held up by a program being broken, but only one. So therefore something of an unknown. Would bring CCP4 pretty much up to date.

PHENIX - depending on the readonly dxtbx stuff - until that is fixed DIALS will be pinned at 3.2 or similar. They also have a hard stop at Python 3.7, due to a slowly changing dependecy.

Deferred to next meeting

Things which depended on Nick :-)

Next meeting

Thursday, March 3rd, 4pm UK (GMT), 8am PT.