form2Mat: mol formula to element count table

Description Usage Arguments Value

Description

mol formula to element count table

Usage

1
form2Mat(atomForm = NULL)

Arguments

atomForm

a character vector of atomic formulae.

Value

list containing two matrices one matrix "nEleTable" with a column for each unique element and a row for each atomic formula with numbers of each element and another matrix 'eleRatio" with the ratios of all elements in each atomic formula.


WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.