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2022-04-07Update cell_explorer screenshotThomas White
Same deal as 6ead0af32.
2022-04-07Tutorial: Fix a tiny typoThomas White
2022-04-07Update tutorial screenshotThomas White
This has a cleaner background, and the window icon has been fixed (see ad8494c441231).
2022-03-18GUI: Use sbatch/scancel/scontrol instead of Slurm APIThomas White
This commit strips out all references to the Slurm API, instead making subprocess calls to sbatch and scontrol. Attempting to use the Slurm API seems to have been a mis-step. First, it seems that nowhere has the Slurm headers pre-installed. Literally none of the facilities where there are known deployments of CrystFEL have them. And in a significant fraction of cases, getting them installed is difficult, slow or impossible. In addition, the API doesn't seem to work in all cases, so we already shell out to 'scancel' to abort jobs - see d76fc3495. There are some tricky implications for submitting Slurm jobs from a container via the API. The Slurm REST API offers a solution, but is very new and not widely available. Calls to the Slurm executables are much easier to 'tunnel' out of a container. This isn't a great solution. It's a net increase of only about 40 lines of source code, but it incurs some unpleasant string handling and will probably be less reliable overall. It completely relies on Slurm's not being internationalised. If Slurm's messages start getting translated, we will be in trouble.
2022-03-01Add new tutorialThomas White
2021-11-25partialator: Handle spaces in custom split fileThomas White
The csplit format is ambiguous when the filenames contain spaces. To make things a bit clearer, the file now requires the fields to be separated by exactly one space rather than any number of tabs/spaces. Fixes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/55
2021-10-28Add 'mask_panel_edges' to geometry fileThomas White
Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/27
2021-10-26Remove detector rail direction altogetherThomas White
This got missed out by accident in the conversion to DataTemplate, but absolutely no-one noticed. In the meantime, my views on how the geometry files should work have changed somewhat. I don't want to maintain the extra complexity here when it isn't even clear that it will eliminate the need to re-refine geometry for each camera length. This commit just takes the rail direction stuff out of the documentation and the geometry file parser. Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/50
2021-10-20Add "plain" MTZ file layout, distinct from "Bijvoet" layoutThomas White
Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/52
2021-09-17Update online.rst to mention HDF5Thomas White
2021-09-17indexamajig: Add --data-formatThomas White
2021-09-06electrons.rst: Add missing equals signsThomas White
2021-08-12Updates for manual pagesThomas White
2021-07-23partialator: Add --log-folderThomas White
2021-07-07speed.rst: Update formatting and contentThomas White
2021-07-06online.rst: Fix a typoThomas White
2021-07-05Add article about speedThomas White
2021-07-05indexamajig(1): Clarify --min-peaks default valueThomas White
2021-06-16FussinessThomas White
2021-05-18Update online.rstThomas White
2021-05-18Fuss over electrons.rstThomas White
2021-05-17Fix RST backticksThomas White
2021-05-17Add 'article' about electron diffractionThomas White
2021-05-05indexamajig: Add --zmq-requestThomas White
This (re-)adds the ability to get data via a request/reply socket. See afcb7b568947c for when it was removed.
2021-04-27Mass update of copyright dates in manpagesThomas White
2021-04-23Add documentation about ZMQ/MsgPackThomas White
2021-04-23Update documentation about geometry filesThomas White
2021-04-23Improve documentation about reflection data exportThomas White
2021-04-23indexamajig: Add --zmq-subscribeThomas White
2021-04-21indexamajig: Replace --zmq-msgpack with --zmq-inputThomas White
This removes some unnecessary work (getting the address from the file) and seems cleaner.
2021-03-29Add documentation for --harvest-fileThomas White
2021-03-25indexamajig: Add --camera-length-estimateThomas White
Unfortunately, PinkIndexer needs the real camera length for its centre refinement. Giving a fake value and scaling the resulting shift does not work - the indexing rate drops with even a small error. Ideally, this would work in the same way as --wavelength-estimate, by using a static value from the geometry file if it's given. However, this is rather complicated to implement because of the way all the units stuff is implemented. Therefore, this is left as an improvement for the future.
2021-03-11indexamajig(1): Fix formatting and spellingThomas White
2021-03-11indexamajig: Add --max-indexer-threadsThomas White
This is a more general replacement for --pinkIndexer-thread-count.
2021-03-11PinkIndexer: Remove wide bandwidth stuffThomas White
This will return later in a more centralised form, if we decide to work further on wide bandwidth.
2021-03-11PinkIndexer: Remove custom indexing checksThomas White
These conflict badly with CrystFEL's own checks, creating a horrible user and developer experience. Later, if we want to handle wide bandwidth beams, we will improve the central CrystFEL checks to support it.
2021-03-11indexamajig: Add --wavelength-estimateThomas White
This is a more sensible non-indexer-specific and non-Xray-specific replacement for --pinkIndexer-override-photon-energy
2021-03-09Add the ability to use multiple bad pixel masks at onceThomas White
2021-01-22compare_hkl: Remove --intensity-shellsThomas White
No-one uses it, it doubles the complexity of the code, and the manual even warns not to use it.
2021-01-22Remove doc/stream-format.txtThomas White
The tiny amount of information in that file isn't relevant (or even correct..) any more.
2021-01-08Update documentation about max_adu, and add a warningThomas White
2020-12-18Improve documentation about file-based peak listsThomas White
2020-12-18Add peak_list_type in geometry fileThomas White
2020-12-16Add flag_{lessthan,morethan,equal} in geometry fileThomas White
This makes handling Pilatus/Eiger files, as well as many others, much easier.
2020-10-23partialator(1): Add missing partiality modelsThomas White
2020-07-29Add detector_shift_{x,y} to geometry fileThomas White
2020-07-29Rearrange geometry manual pageThomas White
2020-07-29Add wavelength and electron_voltage, plus units, to geometry fileThomas White
2020-07-29Remove hdfsee manual pageThomas White
2020-03-04fix documentation for pinkIndexerYaroslav Gevorkov
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