CluMSID: Clustering of MS2 Spectra for Metabolite Identification

CluMSID is a tool that aids the identification of features in untargeted LC-MS/MS analysis by the use of MS2 spectra similarity and unsupervised statistical methods. It offers functions for a complete and customisable workflow from raw data to visualisations and is interfaceable with the xmcs family of preprocessing packages.

Package details

AuthorTobias Depke [aut, cre], Raimo Franke [ctb], Mark Broenstrup [ths]
Bioconductor views Clustering Metabolomics Preprocessing
MaintainerTobias Depke <[email protected]>
LicenseMIT + file LICENSE
Version1.2.0
URL https://github.com/tdepke/CluMSID
Package repositoryView on Bioconductor
Installation Install the latest version of this package by entering the following in R:
source("https://bioconductor.org/biocLite.R")
biocLite("CluMSID")

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CluMSID documentation built on Oct. 31, 2019, 8:28 a.m.