Repository navigation
refactor: share fragment conversion and precursor metrics - #462
Draft
boopthesnoot wants to merge 2 commits into
Draft
boopthesnoot wants to merge 2 commits into
boopthesnoot wants to merge 2 commits into
Conversation
Select the strongest peak per dense cell and keep associated values from the same peak. Share array calculations with library conversion and metrics, and support precursor tables whose spectra have no peaks. Validated with 70 targeted tests and AlphaNovo export integration tests.
This branch has not been deployed
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Share array-based fragment conversion and precursor metrics with the existing library APIs, so callers can process individual spectra without duplicating calculations or building temporary libraries.
Dense cells retain the strongest peak, with the first input peak winning equal-intensity ties; intensity, error and observed m/z stay associated. Flat peaks are preserved, and conversion supports precursors whose spectra contain no peaks.