View source: R/Functions_calcMZ.R
calcMZs | R Documentation |
Calculate charge-to-mass ratios for molecula formulas in a data.frame, retaining the dataframes columns, but overriding columns mz, charge and ion
calcMZs(df, mf_column = "formula", ...)
df |
data.frame that contains a column with molecular formulas (MFs) |
mf_column |
name of column in df that contains MFs |
... |
additional arguments passed to |
input data.frame with additional columns ion
and charge
,
and updated column mz
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