coelutingFrags {LipidMS}

Coeluting fragments extraction

Description

Given a RT and a list of peaks, this function subsets all coeluting fragments within a rt windows. It is used by identification functions to extract coeluting fragments from high energy functions for candidate precursor ions.

Usage

coelutingFrags(
  precursors,
  products,
  rttol,
  rawData = data.frame(),
  coelCutoff = 0
)

Arguments

precursors

candidates data frame. Output of findCandidates.

products

peaklist for MS2 function (MSMS).

rttol

rt window in seconds.

rawData

raw scans data. Output of dataProcessing function (MSMS$rawData).

coelCutoff

coelution score threshold between parent and fragment ions. Only applied if rawData info is supplied.

Value

List of data frames with the coeluting fragments for each candidate.

Author(s)

M Isabel Alcoriza-Balaguer <[e-mail]>