identify_metabolite_all: Identify metabolites using multiple databases one time

In tidymass/metid: Metabolite identification based on MS1 and MS2 spectra

Identify metabolites using multiple databases one time

Description

Identify metabolites using multiple databases one time.

Usage

identify_metabolite_all(ms1.data, ms2.data, parameter.list, path = ".")

Arguments

ms1.data	The name of ms1 peak table (csv format). Column 1 is "name", column 2 is "mz" and column 3 is "rt" (second).
ms2.data	MS2 data, must be mgf, msp or mzXML format. For example, ms2.data = c("test.mgf", "test2.msp").
parameter.list	A list contains paramters for each processing. The parameter must get using metIdentifyParam or mzIdentifyParam.
path	Work directory.

Value

A list containing mzIdentifyClass object.

Author(s)

Xiaotao Shen [e-mail]

See Also

The example and demo data of this function can be found https://tidymass.github.io/metid/articles/multiple_databases.html

tidymass/metid documentation built on Oct. 8, 2024, 10:32 p.m.