Modify peak picking parameters to call by relative abundance (not absolute value)

microbiomedata / metaMS

GC-MS Based Metabolomics Workflow

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Modify peak picking parameters to call by relative abundance (not absolute value) #48

Closed kheal closed 3 months ago

kheal commented 3 months ago

Will change in lcmsrefactor branch.

Current peak picking parameters for LCMSBase class for minimum height and persistence are set as absolute values. In order to better parameterize these settings and follow conventions in CoreMS, we should change this to use a parameter like relative abundance for setting minimums.

As currently implemented, that is how we set our values, so functionally it will not change, just the parameter names will change.

kheal commented 3 months ago

Implemented on lcmsrefactor_heal branch.

https://code.emsl.pnl.gov/mass-spectrometry/corems/-/commit/861cdd3a1f0ee0f73eeabe8437ab6831e2cf03ca