Build MS2 precursor peak table from spectra

Construct an xcms featureDefinitions-style peak table from MS2 precursor m/z and retention time. Continuous MS2 spectra (|delta rt| < rt_tol and m/z within ppm after m/z grouping) are collapsed to one peak. Result is stored in object@advancedAna$MS2_Precursor.

Usage

MSdev_get_peak_table_from_spectra(object, rt_tol = 5, ppm = 5)

Arguments

object

MSdev object with MS2_Spectra

rt_tol

numeric; max RT gap (seconds) between consecutive MS2 in the same peak (default 10)

ppm

numeric; m/z tolerance in ppm for grouping precursors (default 10)

Value

MSdev object with advancedAna$MS2_Precursor set