getpaired {pmd}

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, If ng = NULL, 20 percent of RT cluster will be used as ng, 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)