normalizeMassNotation: Standardize mass notation

In ktoddbrown/FTICR_Processing: R package for post-processing of FT-ICR-MS data with a focus on organic carbons

Description

Force C, H, O, N, S, and P for the headers and calculate various ratios and indecies of interest.

Usage

normalizeMassNotation(data.df, sampleIDs, elementKey = list(C = "C", H = "H",
  O = "O", N = "N", S = "S", P = "P"), verbose = FALSE)

Arguments

data.df	data frame with samples and elements
sampleIDs	an array of strings with the sample column names
elementKey	a list with names that match C, H, O, N, S, P with the associated column names. Note that if you want to count C+C13 then set list(C=c('C', 'C13')).
verbose	a boolean to flag lots of output that is hopefully informative

Value

data.frame with indecies and ratios of interest plus the standardize element names and sampleIDs

ktoddbrown/FTICR_Processing documentation built on May 20, 2019, 7:05 p.m.