README.md

In MetabolomicsBasics: Basic Functions to Investigate Metabolomics Data Matrices

MetabolomicsBasics

The goal of MetabolomicsBasics is to provide a set of functions to investigate raw data (a matrix of intensity values) from (metabol)omics experiments, i.e.  following peak picking and signal deconvolution. Functions can be used to normalize data, detect biomarkers and perform sample classification. A detailed description of best practice usage may be found in the publication https://link.springer.com/protocol/10.1007/978-1-4939-7819-9_20.

Installation

You can install the development version of MetabolomicsBasics from GitHub with:

# install.packages("devtools")
devtools::install_github("janlisec/MetabolomicsBasics")

Example

A typical use case would be to compute a Principal Component Analysis:

raw <- MetabolomicsBasics::raw
sam <- MetabolomicsBasics::sam
MetabolomicsBasics::RestrictedPCA(dat = raw, sam = sam, group.col = "GT")

MetabolomicsBasics documentation built on Nov. 2, 2023, 5:07 p.m.