calcMZs: calcMZs

View source: R/Functions_calcMZ.R

calcMZsR Documentation

calcMZs

Description

Calculate charge-to-mass ratios for molecula formulas in a data.frame, retaining the dataframes columns, but overriding columns mz, charge and ion

Usage

calcMZs(df, mf_column = "formula", ...)

Arguments

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 calcIons()

Value

input data.frame with additional columns ion and charge, and updated column mz


mjhelf/METABOseek documentation built on April 27, 2022, 5:13 p.m.