removeISF: removeISF

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

removeISF

Description

Detect and remove ISF signals from a SOI list using low collision energy MS2 data

Usage

removeISF(
  struct,
  id,
  DBpath = "D:/MS2ID_B2R_20201113_083214.rds",
  justAnnotate = FALSE
)

Arguments

struct	The RHermesExp object to which the SOI list will be saved.
id	ID of the SOI list to be filtered/checked.
DBpath	Path to a MS2 spectral database with a specific format
justAnnotate	Whether to actually remove the ISF or just keep them annotated. Defaults to FALSE (removes the ISF). If set to TRUE, you can then plot the ISF network with plotISF()

Value

An updated RHermesExp object where the selected SOI has had its ISF removed. If using justAnnotate = TRUE, the ISF aren't removed.

See Also

plotISF

Examples

if(FALSE){
    #You need a MS2 Database with the proper format
    #(we are working on releasing one to the public soon enough)
    struct <- removeISF(struct, id = 1, DBpath = "MS2Database.rds")
}

RogerGinBer/RHermes documentation built on April 5, 2025, 10:16 a.m.