performMS2searchSingle: performMS2searchSingle

In xia-lab/MetaboAnalystR: An R Package for Comprehensive Analysis of Metabolomics Data

performMS2searchSingle

Description

performMS2searchSingle

Usage

performMS2searchSingle(
  mSetObj = NA,
  ppm1 = 10,
  ppm2 = 25,
  dbpath = "",
  frgdbpath = "",
  database = "all",
  similarity_meth = 0,
  precMZ = NA,
  sim_cutoff = 30,
  ionMode = "positive",
  unit1 = "ppm",
  unit2 = "ppm"
)

Arguments

mSetObj	mSetObj
ppm1	ppm value for ms1
ppm2	ppm value for ms2
dbpath	database path
frgdbpath	fragmentation database path
database	database option
similarity_meth	similarity computing method
precMZ	mz of precursor
sim_cutoff	filtration cutoff of similarity score. will be enabled soon.
ionMode	ion mode, for ESI+, is should be 1. for ESI-, it should be 0
unit1	ppm or da for ms1 matching
unit2	ppm or da for ms2

xia-lab/MetaboAnalystR documentation built on Dec. 23, 2024, 3:44 p.m.