cctbx / dxtbx

Diffraction Experiment Toolbox
BSD 3-Clause "New" or "Revised" License
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FormatROD set beam probe to electron for ED #728

Closed dagewa closed 2 months ago

dagewa commented 2 months ago

The CAP format does actually have a header value to identify an ED experiment (see b_is_microed_experiment in sources). However we do not have a complete header reader in this format class so we cannot reliably find this value. So, use a short-wavelength heuristic to choose an electron probe.

codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 20.00000% with 4 lines in your changes are missing coverage. Please review.

Project coverage is 41.80%. Comparing base (24a50c7) to head (f20fb95). Report is 5 commits behind head on main.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #728 +/- ## ========================================== - Coverage 42.26% 41.80% -0.46% ========================================== Files 187 187 Lines 16784 16811 +27 Branches 3201 3211 +10 ========================================== - Hits 7093 7028 -65 - Misses 9045 9142 +97 + Partials 646 641 -5 ```
biochem-fan commented 2 months ago

b_is_microed_experiment in sources

Which source? The CAP format description I found is very old.

dagewa commented 2 months ago

I was sent a zip file with source code by Mathias Meyer. If you are interested I could ask him if I can share it with you.

graeme-winter commented 2 months ago

I was sent a zip file with source code by Mathias Meyer. If you are interested I could ask him if I can share it with you.

Technically I guess if we are using that information to implement support we kinda need some kind of license on the information / source code anyway?

dagewa commented 2 months ago

Potentially... there is no license file in the sources I have or in comments. I think it is a subset of a larger project. I can ask Mathias.

dagewa commented 2 months ago

Merging now for use, and will pick up the issue of more complete ROD support later when I hear back from Mathias