buildFormulaTable: Reads and builds FormulaTable file into a data.frame

In jcapelladesto/isoSCAN: Automatic Integration for GC-CI-MS Isotope Labeling Data

Reads and builds FormulaTable file into a data.frame

Description

Reads text file and creates NumAtoms column by obtaining carbon number from compound formula

Usage

buildFormulaTable(x = NULL, atom.symbol = "C")

Arguments

x	File directory (as in utils::read.table)
atom.symbol	Atom symbol of the labelling experiment, for C13 set it to "C"

Value

formulaTable with NumAtoms column

jcapelladesto/isoSCAN documentation built on Feb. 5, 2025, 1:48 a.m.