idList: Identification list

In xdomingoal/erah-devel: Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

Identification list

Description

The list of identified metabolites in a given experiment

Usage

idList(object, id.database = mslib)

## S4 method for signature 'MetaboSet'
idList(object, id.database = mslib)

Arguments

object	A 'MetaboSet' S4 object containing the experiment data. The experiment has to be previously deconvolved, aligned and identified.
id.database	The mass-spectra library to be compared with the empirical spectra. By default, the MassBank - Mass Bank of North America (MoNa) database are employed (mslib object).

Details

Returns an identification table containing the names, match scores, and other variables for a given experiment.

Value

idList returns an S3 object:

AlignID	The unique Tag for found metabolite by eRah. Each metabolite found by eRah for a given experiment has an unique AlignID tag number.
tmean	The mean compound retention time.
Name.X	the name of the Xst/nd/rd... hit. idList return as many X (hits) as n.putative selected with identifyComp.
FoundIn	The number of samples in which the compound has been detected (the number of samples where the compound area is non-zero).
MatchFactor.X	The match factor/score of spectral similarity (spectral correlation).
DB.Id.X	The identification number of the library. Each metbolite in the reference library has a different DB.Id number.
CAS.X	the CAS number of each identified metabolite.

See Also

alignList dataList

xdomingoal/erah-devel documentation built on Feb. 11, 2024, 11:11 a.m.