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ElucidataInc / ElMaven

LC-MS data processing tool for large-scale metabolomics experiments.
https://resources.elucidata.io/elmaven/
GNU General Public License v2.0
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[Fix] RT deviation abused when checking overlap #1351 #1370

Closed saifulbkhan closed 3 years ago

saifulbkhan commented 3 years ago

When the user opts to "Consider overlap" in peak grouping, the condition should make the grouping criteria more strict. However, the logic for group scoring was written such that peaks were allowed to be grouped if either RT deviation was not too bad or group overlap was not too bad (which made it more lenient). This has been fixed.

sakshikukreja14 commented 3 years ago

@saiful-elucidata, I think we would need to alter the test cases. Doctest fails in all the environments.

saif-el commented 3 years ago

@sakshikukreja14 I have fixed both the failing tests. You can now review this one.