8000 Add: Ion Mobility data to Sage Reader by singjc · Pull Request #113 · CompOmics/psm_utils · GitHub
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Add: Ion Mobility data to Sage Reader #113

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Merged
merged 7 commits into from
Mar 6, 2025
Merged

Add: Ion Mobility data to Sage Reader #113

merged 7 commits into from
Mar 6, 2025

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singjc
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@singjc singjc commented Jan 23, 2025

Description

Recent versions of Sage output includes the ion_mobility and predicted_mobility columns. I updated the Sage Reader to include these columns in the PSM object and the rescoring features set respectively. I updated the tests as well, I had to update the hash for the idxml test for the sage output, but all tests pass locally.

This should also address this issue ms2rescore/issues/207. When trying to perform rescoring on immunopeptidomics bruker data, it would fail due to the ion_mobility column missing in the PSM object.

- add ion mobility and predicted filed to test_psm obj
- update expected hash in idxml test for outputed sage idxml
@RalfG RalfG requested a review from rodvrees March 6, 2025 12:25
@RalfG RalfG self-requested a review March 6, 2025 12:25
@RalfG RalfG added the enhancement Improvement of an existing feature label Mar 6, 2025
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Minor change request on the indentation. Otherwise good to go!
Thanks @singjc and @rodvrees!

Co-authored-by: Ralf Gabriels <ralfg@hotmail.be>
@RalfG RalfG merged commit 16873bf into CompOmics:main Mar 6, 2025
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@RalfG RalfG added this to the v1.4.0 milestone Mar 6, 2025
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