CluMSID
Clustering of MS2 Spectra for Metabolite Identification
Bioconductor version: 3.23 · Package version: 1.28.0
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.
Installation
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("CluMSID")Details
| Maintainer | Tobias Depke <depke@mailbox.org> |
| Author | Tobias Depke [aut, cre], Raimo Franke [ctb], Mark Broenstrup [ths] |
| License | MIT + file LICENSE |
| URL | https://github.com/tdepke/CluMSID |
| Bug Reports | https://github.com/tdepke/CluMSID/issues |
| Downloads rank | 287 |
| Source branch | RELEASE_3_23 |
| biocViews | Clustering, Metabolomics, Preprocessing, Software |
Documentation
- Clustering Spectra from High Resolution DI-MS/MS Data Using CluMSID
- Clustering Mass Spectra from Low Resolution GC-EI-MS Data Using CluMSID
- Clustering Mass Spectra from Low Resolution LC-MS/MS Data Using CluMSID
- Using CluMSID with a Publicly Available MetaboLights Data Set
- CluMSID --- Clustering of MS^2^ Spectra for Metabolite Identification
Download
Dependencies
Depends: R (>= 3.6)
Imports: mzR, S4Vectors, dbscan, RColorBrewer, ape, network, GGally, ggplot2, plotly, methods, utils, stats, sna, grDevices, graphics, Biobase, gplots, MSnbase
Suggests: knitr, rmarkdown, testthat, dplyr, readr, stringr, magrittr, CluMSIDdata, metaMS, metaMSdata, xcms