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rformassspectrometry / MetaboAnnotation

High level functionality to support and simplify metabolomics data annotation.
https://rformassspectrometry.github.io/MetaboAnnotation/
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Allow to define spectraVariable for RT comparison in MS2 data matching #98

Closed michaelwitting closed 1 year ago

michaelwitting commented 1 year ago

In matchValues we allow to define the column used for matching of retention times. This enables the use of retention time, retention index or other values without copying them back and forth.

This should be implemented in a similar fashion for matchSpectra. Default would be rtime