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rformassspectrometry / MetaboCoreUtils

Core utilities for metabolomics.
https://rformassspectrometry.github.io/MetaboCoreUtils/index.html
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Refactor mass2mz and mz2mass as detailed in issue #29 #30

Closed jorainer closed 3 years ago

jorainer commented 3 years ago

Note @michaelwitting , I would still like to make some changes to the PR. I'll ask you for review again once I'm done with that.

jorainer commented 3 years ago

OK, included the last changes to support also custom adduct definition for mass2mz and mz2mass in form of a data.frame.