Diff Trace Peaks Search, and bug fixes

eugenemel / maven

Maven GUI: Metabolomics Analysis and Visualization Engine

https://github.com/eugenemel/maven/releases

GNU General Public License v3.0

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Diff Trace Peaks Search, and bug fixes #740

Closed PMSeitzer closed 1 month ago

PMSeitzer commented 1 month ago

Expanded functionality around diff trace usage. Note associated mass_spec case https://github.com/calico/mass_spec/issues/1305

PMSeitzer commented 1 month ago

Add the ability to pick peaks that are in the first or last fraction (not a proper local maximum). This should controlled by some obscure parameter, say peaksDetectEdgePeaks

PMSeitzer commented 1 month ago

This should probably involve SECTrace::pickPeaks() to use EIC::getPeakPositionsD(), which will require a little refactoring as to how peak calling is done.