/metabom8

R library for NMR/MS analyses. Workflow includes NMR data import & preprocessing, statistical modelling (PCA, O-PLS), met ID-ing, visualisation (ggplot2, plotly).. Critical functions implemented in C++ using linear algebra packages (Armadillo, Eigen) to improve run-time.

Primary LanguageROtherNOASSERTION

metabom8

R library for small molecule analysis using Magentic Resonance Spectroscopy (MRS). This R package provides a pipeline for data pre-processing and statistical interrogation of high-throughput spectral data.

Installation

Install metabom8 with remotes:

install.packages('remotes')
remotes::install_github("tkimhofer/metabom8")