Add support for JCAMP-DX files in NMR block #1205
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ml-evs/add-nmr-jcamp-support
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| Run duration | 07m 30s |
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| Committer | Matthew Evans |
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1205 +/- ##
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+ Coverage 70.90% 70.91% +0.01%
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Files 66 66
Lines 4358 4429 +71
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+ Hits 3090 3141 +51
- Misses 1268 1288 +20
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BenjaminCharmes
approved these changes
May 21, 2025
Thanks!
Yeah, this is an nmrglue warning, I think it's probably something slightly off specification with the example data.
Yup, I've extracted all the things that are required to be in the file, but we could also try to reverse engineer some of the custom extension keys |
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This PR enables JCAMP-DX (
.jdx,.dx) files to be read by the NMR block. It also updates the documentation for the NMR block slightly, and refactors the block into combined functions for loading either Bruker/JCAMP data.Related to #610 -- we could easily add support for NMR given nmrglue's existing functionality for JCAMP-DX, but a general JCAMP block might be too complicated.