Modified - Identify metabolites using
mod_metIdentify.Rd
Modified function to identify metabolites
Usage
mod_metIdentify(
ms1.data,
ms1.info,
ms2.data = NULL,
ms2.info,
ms1.ms2.match.mz.tol = 25,
ms1.ms2.match.rt.tol = 10,
ms1.match.ppm = 25,
ms2.match.ppm = 30,
mz.ppm.thr = 400,
ms2.match.tol = 0.5,
fraction.weight = 0.3,
dp.forward.weight = 0.6,
dp.reverse.weight = 0.1,
rt.match.tol = 30,
polarity = c("positive", "negative"),
ce = "all",
column = c("rp", "hilic"),
ms1.match.weight = 0.25,
rt.match.weight = 0.25,
ms2.match.weight = 0.5,
total.score.tol = 0.5,
candidate.num = 3,
database_name,
database,
threads = 3
)