MAIT_identify_metabolites: MAIT metabolite identification

In specmine: Metabolomics and Spectral Data Analysis and Mining

Description

Performs metabolite identification using MAIT.

Usage

MAIT_identify_metabolites(dataset, metadata.variable, 
xSet = NULL, data.folder = NULL, features = NULL, 
mass.tolerance = 0.5)

Arguments

dataset	list representing the dataset from a metabolomics experiment.
metadata.variable	metadata's variable.
xSet	xcmsSet object that can be passed. Stored in dataset$xSet.
data.folder	string indicating the data folder.
features	features that can be used to help to identify the metabolites.
mass.tolerance	mass tolerance.

Details

After runing the MAIT_identify_metabolites function, the results table can be aaccessed by:

mait.metab.table = mait.metabolites@FeatureInfo@metaboliteTable

where 'mait.metabolites' is the result obtained from runing MAIT_identify_metabolites.

Value

Returns an object resulted from identifyMetabolites function from MAIT package.

References

http://www.bioconductor.org/packages/release/bioc/html/MAIT.html

specmine documentation built on Sept. 21, 2021, 5:06 p.m.