getsda {pmd}R Documentation

Perform structure/reaction directed analysis for peaks list.

Description

Perform structure/reaction directed analysis for peaks list.

Usage

getsda(list, rtcutoff = 10, freqcutoff = 10, top = 50,
  corcutoff = 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

freqcutoff

cutoff of frequency of PMDs between RT cluster for peaks, default 10

top

top n pmd freqency cutoff when the freqcutoff is too small for large data set, default 50

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 tentative isotope, adducts, and neutral loss peaks' index, retention time clusters.

See Also

getpaired,getstd,plotpaired

Examples

data(spmeinvivo)
pmd <- getpaired(spmeinvivo)
std <- getstd(pmd)
sda <- getsda(std)

[Package pmd version 0.1.5 Index]