metIdentify4all: metIdentify4all

In jaspershen/metIdentify: Metabolite identification based on MS1 and MS2 spectra

Description

Identify metabolites using multiple databases one time.

Usage

metIdentify4all(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://jaspershen.github.io/metIdentify/articles/metIdentify.html

jaspershen/metIdentify documentation built on July 26, 2019, 8:54 a.m.