Convert a list of peaks (rt / m/z pairs) to a Region of Interest (ROI) list for use with findPeaks
Usage
tbl2ROI(tbl, raw, ppm, rt_tol)
Arguments
- tbl
tibble containing the columns "rt" and "mz". rt needs to be in seconds.
- raw
xcmsRaw object to create ROI for. It needs to be a specific xcmsRaw to match retention times to scan nubmers.
- ppm
ppm tolerance for the generated ROI.
- rt_tol
Retention time tolerance (in sec!) for the generated ROI.
Value
List containing the ROIs. Each list contains mz, mzmin, mzmax, scmin, scmax, length (set to -1, not used by centWave) and intensity (set to -1, not used by centWave) columns.