getrda: Perform structure/reaction directed analysis for mass only.

In pmd: Paired Mass Distance Analysis for GC/LC-MS Based Non-Targeted Analysis and Reactomics Analysis

Description

Perform structure/reaction directed analysis for mass only.

Usage

getrda(mz, freqcutoff = 10, digits = 3, top = 20, formula = NULL)

Arguments

mz	numeric vector for independant mass or mass to charge ratio. Mass to charge ratio from GlobalStd algorithm is suggested. Isomers would be excluded automately
freqcutoff	pmd freqency cutoff for structures or reactions, default 10
digits	mass or mass to charge ratio accuracy for pmd, default 3
top	top n pmd freqency cutoff when the freqcutoff is too small for large data set
formula	vector for formula when you don't have mass or mass to charge ratio data

Value

logical matrix with row as the same order of mz or formula and column as high freqency pmd group

See Also

getsda

Examples

data(spmeinvivo)
pmd <- getpaired(spmeinvivo)
std <- getstd(pmd)
sda <- getrda(spmeinvivo$mz[std$stdmassindex])

pmd documentation built on Jan. 22, 2021, 1:06 a.m.