globalstd: GlobalStd algorithm with structure/reaction directed analysis

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

GlobalStd algorithm with structure/reaction directed analysis

Description

GlobalStd algorithm with structure/reaction directed analysis

Usage

globalstd(
  list,
  rtcutoff = 10,
  ng = NULL,
  corcutoff = NULL,
  digits = 2,
  accuracy = 4,
  freqcutoff = NULL,
  mdrange = NULL,
  sda = FALSE
)

Arguments

list	a peaks list with mass to charge, retention time and intensity data
rtcutoff	cutoff of the distances in cluster, 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.
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
freqcutoff	pmd frequency cutoff for structures or reactions, default NULL. This cutoff will be found by PMD network analysis when it is NULL.
mdrange	mass defect range to ignore. Default NULL and c(0.25,0.9) to retain the possible reaction related paired mass
sda	logical, option to perform structure/reaction directed analysis, default FALSE.

Value

list with GlobalStd algorithm processed data.

See Also

getpaired,getstd,getsda,plotstd,plotstdsda,plotstdrt

Examples

data(spmeinvivo)
re <- globalstd(spmeinvivo)

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