pmd (version 0.2.1)

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

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

# NOT RUN {
data(spmeinvivo)
pmd <- getpaired(spmeinvivo)
std <- getstd(pmd)
sda <- getrda(spmeinvivo$mz[std$stdmassindex])
# }