getSOIpar: getSOIpar

In RogerGinBer/RHermes: Improving metabolome characterization using molecular formula databases

getSOIpar

Description

Returns a SOIParam object for posterior SOI detection. This function does NOT require the RHermesExp object as multple SOIParam can be used at once. See findSOI for more info.

Usage

getSOIpar(tag = "double", mode = "regular", cwp = NA)

## S4 method for signature 'ANY'
getSOIpar(tag = "double", mode = "regular", cwp = NA)

Arguments

tag	A character string that tells which premade SOI parameter object to use. Currently the following tags are available: 'single', 'double', 'triple', and their extended counterparts for longer chromatography experiments, 'single-x', 'double-x' and 'triple-x'. These are all stored in /app/www/SOIFilterParams.csv, feel free to locally change them or add new ones for your use (if you know what you're doing).
mode	Whether SOI detection should use the regular density-based algorithm or xcms peak detection for defining the SOIs
cwp	A CentWaveParam object used for either SOI detection (xcms mode) or long SOI splitting (regular mode)

Value

A SoiParam object

Examples

if(FALSE){
par <- getSOIpar('double')
par2 <- getSOIpar('triple-x') #Etc. etc.
}

RogerGinBer/RHermes documentation built on Nov. 6, 2022, 11:34 a.m.