Hits sorting testbed #1018
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Hits sorting testbed #1018
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tharwood3
approved these changes
Jan 30, 2025
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Looks good. My only suggestion would be to add a catch to the sort_msms_hits function in the case where an invalid sorting method is provided. This could be an assert at the beginning, or an else at the end that raises a clear error.
Not totally necessary, but could be useful for debugging down the line.
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This branch moves the msms scoring method to spectralprocessing and introduces a few possible scoring techniques to identify the best feature match to the msms refs db. See the sort_msms_hits() function in spectralprocessing.py.
Currently the scoring method is set to 'score' so this commit will not change anything about the targeted analysis.