calc_nosc: Calculate Nominal Oxidation State of Carbon (NOSC) Values

View source: R/calc_nosc.R

calc_noscR Documentation

Calculate Nominal Oxidation State of Carbon (NOSC) Values

Description

Calculate NOSC values for peaks where empirical formula is available

Usage

calc_nosc(ftmsObj)

Arguments

ftmsObj

an object of class 'peakData' or 'compoundData', typically a result of as.peakData or mapPeaksToCompounds.

Details

NOSC = -(\frac{4C + H - 3N - 2O + 5P - 2S}{C}) + 4

Value

an object of the same class as ftmsData with a column in e\_meta giving NOSC values

Author(s)

Lisa Bramer


EMSL-Computing/fticRanalysis documentation built on Dec. 18, 2024, 9:51 p.m.