Featurelist: Generate a 'data.frame' with feature information from list of...

In tdepke/CluMSID: Clustering of MS2 Spectra for Metabolite Identification

Generate a data.frame with feature information from list of MS2spectrum objects

Description

featureList generates a data.frame that contains feature ID, precurosur m/z and retention time for all features contained in a list of MS2spectrum objects as produced by extractMS2spectra and mergeSpecList. featureList is used internally by writeFeaturelist.

Usage

featureList(featlist)

Arguments

featlist

A list of MS2spectrum objects as produced by extractMS2spectra and mergeSpecList

Details

Although originally designed for lists of MS2spectrum objects, the function also works with lists of pseudospectrum objects. In this case, NA is given for precursor m/z.

Value

A data.frame that contains feature ID, precurosur m/z (if available) and retention time

Examples

load(file = system.file("extdata",
    "featlist.RData",
    package = "CluMSIDdata"))

pre_anno <- featureList(featlist)

tdepke/CluMSID documentation built on April 10, 2022, noon