Mass Spectrometry Metabolomics Feature Clustering and Interpretation

A feature clustering algorithm for non-targeted mass spectrometric metabolomics data. This method is compatible with gas and liquid chromatography coupled mass spectrometry, including indiscriminant tandem mass spectromery data.


A feature clustering algorithm for non-targeted mass spectrometric metabolomics data.

To Install from R console:

install.packages("devtools", repos="http://cran.us.r-project.org", dependencies=TRUE)

library(devtools)

install_github("cbroeckl/RAMClustR", build_vignettes = TRUE, dependencies = TRUE)

library(RAMClustR)

vignette("RAMClustR")

RAMClustR publication: RAMClust: A Novel Feature Clustering Method Enables Spectral-Matching-Based Annotation for Metabolomics Data C. D. Broeckling, F. A. Afsar, S. Neumann , A. Ben-Hur, and J. E. Prenni http://pubs.acs.org/doi/abs/10.1021/ac501530d

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Reference manual

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install.packages("RAMClustR")

1.0.4 by Broeckling,Corey, 7 days ago


https://github.com/cbroeckl/RAMClustR


Browse source code at https://github.com/cran/RAMClustR


Authors: Corey D. Broeckling , Fayyaz Afsar , Steffan Neumann , Asa Ben-Hur , Jessica Prenni.


Documentation:   PDF Manual  


GPL (>= 2) license


Imports dynamicTreeCut, fastcluster, ff, InterpretMSSpectrum, BiocManager, httr, jsonlite, preprocessCore, xcms, e1071, gplots, pcaMethods, stringr, xml2, utils, webchem, stringi

Suggests knitr, rmarkdown


See at CRAN