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.
coelutingFrags(
precursors,
products,
rttol,
rawData = data.frame(),
coelCutoff = 0
)List of data frames with the coeluting fragments for each candidate.
candidates data frame. Output of findCandidates.
peaklist for MS2 function (MSMS).
rt window in seconds.
raw scans data. Output of dataProcessing function (MSMS$rawData).
coelution score threshold between parent and fragment ions. Only applied if rawData info is supplied.
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>