Description Usage Arguments Value
Simplify data.frame of quantified isotopologues by clustering isotopologue ions within a certain ppm mass difference. These differences are caused by variation in recorded ion m/z through that may not match from sample to sample.
1 | simplifybyPpm(finalres, ppm = NULL)
|
finalres |
Dataframe resulting from autoQ function from high-resolution data. |
ppm |
Relative mass tolerance to cluster isotopologue masses |
A data.frame with a reduced number of rows in which similar mass isotopologues have been collapsed into a single row.
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