Identify metabolites based on MS1 or MS/MS database.
identify_peak( idx, ms1.info, ms2.info, spectra.info, spectra.data, ppm.ms1match = 25, ppm.ms2match = 30, mz.ppm.thr = 400, ms2.match.tol = 0.5, rt.match.tol = 30, ms1.match.weight = 0.25, rt.match.weight = 0.25, ms2.match.weight = 0.5, total.score.tol = 0.5, adduct.table, candidate.num = 3, fraction.weight = 0.3, dp.forward.weight = 0.6, dp.reverse.weight = 0.1, remove_fragment_intensity_cutoff = 0, ... )
Accurate mass tolerance for m/z error calculation.
MS2 match (MS2 similarity) tolerance.
The weight for matched fragments.
Forward dot product weight.
Reverse dot product weight.
RT match tolerance.
The polarity of data, "positive"or "negative".
Collision energy. Please confirm the CE values in your database. Default is "all".
"hilic" (HILIC column) or "rp" (reverse phase).
The weight of MS1 match for total score calculation.
The weight of RT match for total score calculation.
The weight of MS2 match for total score calculation.
A metIdentifyClass object.