mod_identify_all: Modified - Identify metabolites using multiple databases

In Coayala/MetaboTandem: Pipeline for the analysis of LC-MS/MS data

Modified - Identify metabolites using multiple databases

Description

Function to identify metabolites using multiple databases at once. This function was modified from the package metid

Usage

mod_identify_all(
  ms1.data,
  ms2.data,
  db_dir,
  parameter.list,
  process_ms2 = FALSE
)

Arguments

ms1.data	A data.frame containing the columns 'FeatureID', 'mzmed' and 'rtmed'
ms2.data	An MSpectra object containing MS2 data
db_dir	Path where the databases are stored
parameter.list	A list containing the parameters to process each database. Parameters must be created using metid::metIdentifyParam()

Value

A list of mzIdentifyClass objects with the annotation results

Coayala/MetaboTandem documentation built on April 7, 2024, 3:39 a.m.