getreact: Get quantitative paired peaks list for specific reaction/pmd

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

Description

Get quantitative paired peaks list for specific reaction/pmd

Usage

getreact(
  list,
  pmd,
  rtcutoff = 10,
  digits = 2,
  accuracy = 4,
  ratiocv = 30,
  outlier = F,
  ...
)

Arguments

list	a list with mzrt profile and data
pmd	a specific paired mass distances
rtcutoff	cutoff of the distances in retention time hierarchical clustering analysis, default 10
digits	mass or mass to charge ratio accuracy for pmd, default 2
accuracy	measured mass or mass to charge ratio in digits, default 4
ratiocv	ratio cv cutoff for quantitative paired peaks, default 30
outlier	logical, if true, outliar of ratio will be removed, default False.
...	other parameters for getpmd

Value

list with quantitative paired peaks.

See Also

getpaired,getstd,getsda,getrda,getpmd,

Examples

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

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