martenson/ramclustr

Assigning precursor-product ion relationships in indiscriminant MS/MS 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