getpaired {pmd}R Documentation

Filter ions/peaks based on retention time hierarchical clustering, paired mass distances(PMD) and PMD frequency analysis.

Description

Filter ions/peaks based on retention time hierarchical clustering, paired mass distances(PMD) and PMD frequency analysis.

Usage

getpaired(list, rtcutoff = 10, ng = NULL, digits = 2, accuracy = 4)

Arguments

list

a list with mzrt profile

rtcutoff

cutoff of the distances in retention time hierarchical clustering analysis, default 10

ng

cutoff of global PMD's retention time group numbers, default NULL

digits

mass or mass to charge ratio accuracy for pmd, default 2

accuracy

measured mass or mass to charge ratio in digits, default 4

Value

list with tentative isotope, multi-chargers, adducts, and neutral loss peaks' index, retention time clusters.

See Also

getstd,getsda,plotpaired

Examples

data(spmeinvivo)
pmd <- getpaired(spmeinvivo)

[Package pmd version 0.1.5 Index]