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[FEATURE] peptide export from feature map for pyOpenMS #5672

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axelwalter
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@axelwalter axelwalter commented Nov 23, 2021

Description

Peptides assigned to features can be exported together with meta values 'ID_native_id' (feature spectrum id) and 'ID_filename' (primary MS run path of corresponding protein id). Based on these values and feature ID the peptide and feature DataFrames can be merged later.

Checklist:

  • Make sure that you are listed in the AUTHORS file
  • Add relevant changes and new features to the CHANGELOG file
  • I have commented my code, particularly in hard-to-understand areas
  • New and existing unit tests pass locally with my changes
  • Updated or added python bindings for changed or new classes. (Tick if no updates were necessary.)

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- collect PeptideHits from each feature
- add feature_id, ID_filename and ID_native_id as mvs
- based on these mvs the fm df and peptide df can be merged
@axelwalter
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thanks for the review!

@timosachsenberg timosachsenberg merged commit 66b3e7d into OpenMS:develop Nov 24, 2021
@axelwalter axelwalter deleted the feature/fm-df-peptide-export branch March 17, 2022 08:43
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2 participants