getpmd: Get pmd for specific reaction

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

Get pmd for specific reaction

Description

Get pmd for specific reaction

Usage

getpmd(list, pmd, rtcutoff = 10, corcutoff = NULL, digits = 2, accuracy = 4)

Arguments

list	a list with mzrt profile
pmd	a specific paired mass distance or a vector of pmds
rtcutoff	cutoff of the distances in retention time hierarchical clustering analysis, default 10
corcutoff	cutoff of the correlation coefficient, 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 paired peaks for specific pmd or pmds.

See Also

getpaired,getstd,getsda,getrda

Examples

data(spmeinvivo)
pmd <- getpmd(spmeinvivo,pmd=15.99)

yufree/pmd documentation built on April 19, 2024, 9:31 a.m.