mzIdentify: mzIdentify

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

Description

Identify peaks based on mz database.

Usage

mzIdentify(ms1.data, ms1.match.ppm = 25, polarity = c("positive",
  "negative"), column = c("hilic", "rp"), path = ".",
  candidate.num = 3, database, threads = 3)

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).
ms1.match.ppm	Precursor match ppm tolerance.
polarity	The polarity of data, "positive"or "negative".
column	"hilic" (HILIC column) or "rp" (reverse phase).
path	Work directory.
candidate.num	The number of candidates.
database	MS1 database name.
threads	Number of threads

Value

A 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.