Fix MS2Rescore compatibility (calibration data typing)#15
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Pull request overview
This PR fixes MS2Rescore compatibility by allowing the psm_list_cal parameter to accept both PSMList objects and pandas DataFrames for calibration data, addressing typing issues that prevented proper integration with MS2Rescore workflows.
Key Changes:
- Added support for DataFrame input to the
psm_list_calparameter alongside existing PSMList support - Refactored CCS value extraction logic to handle both input types efficiently
- Updated documentation to clarify requirements for each input type
Reviewed changes
Copilot reviewed 2 out of 2 changed files in this pull request and generated no comments.
| File | Description |
|---|---|
| im2deep/im2deep.py | Updated predict_ccs function signature and implementation to accept both PSMList and DataFrame for calibration data, with proper type checking and value extraction for each input type |
| im2deep/init.py | Bumped version from 1.1.0 to 1.1.1 to reflect the compatibility fix |
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