addAnnotations: Adding external annotations to list of 'MS2spectrum' objects

In CluMSID: Clustering of MS2 Spectra for Metabolite Identification

Description

addAnnotations is used to add annotations that have been assigned externally, e.g. by library search, to a list of MS2spectrum objects as produced by extractMS2spectra and mergeSpecList.

Usage

addAnnotations(featlist, annolist, annotationColumn = 4)

Arguments

featlist	A list of MS2spectrum objects as produced by extractMS2spectra and mergeSpecList
annolist	A list of annotations, either as a data.frame or csv file. The order of features must be the same as in featlist. Please see the package vignette for a detailed example!
annotationColumn	The column of annolist were the annotation is found. Default is 4, which is the case if writeFeaturelist followed by manual addition of annotations, e.g. in Excel, is used to generate annolist.

Value

A list of MS2spectrum objects as produced by extractMS2spectra and mergeSpecList with external annotations added to the annotation slot of each MS2spectrum object.

Examples

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

addAnnotations(featlist, system.file("extdata",
                "post_anno.csv",
                package = "CluMSIDdata"),
                annotationColumn = 4)

CluMSID documentation built on Nov. 8, 2020, 7:46 p.m.