create.MAF: Create a dataframe representing a MAF file

In wilsontom/metabolighteR: Interface to the 'Metabolights' REST API

Create a dataframe representing a MAF file

Description

MAF files combine the metabolite abundance matrix, the spectral data like m/z and retention time, and the metabolite names, structures and database identifiers.

Usage

create.MAF(assaytype = "LCMS", nrow = NULL, abundances = NULL)

Arguments

assaytype	Currently unused, but would be used for different MAF files for NMR and MS
nrow	Create the MAF with nrow empty rows.
abundances	is a data frame or matrix with the metabolite abundances, intensities or concentrations.

Details

If an abundance matrix is given, the the generated MAF will have as many (empty) spectral and identification metadata rows as abundance rows, joined to the provided abundance matrix.

nrow and abundances should be mutually exclusive, but that is not yet tested.

Examples

maf <- create.MAF(nrow=17)

wilsontom/metabolighteR documentation built on Feb. 27, 2024, 7:58 p.m.