Related Experiment Video
Updated: Aug 27, 2025
An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome
Published on: September 20, 2022
metabolomicsR: a streamlined workflow to analyze metabolomic data in R
Xikun Han1,2, Liming Liang1,2
1Department of Epidemiology, Harvard T H Chan School of Public Health, Boston, MA 02115, USA.
Summary:
metabolomicsR is a streamlined, flexible and user-friendly R package to preprocess, analyze and visualize metabolomic data. metabolomicsR includes comprehensive functionalities for sample and metabolite quality control, outlier detection, missing value imputation, dimensional reduction, batch effect normalization, data integration, regression, metabolite annotation and visualization of data and results. In this application note, we demonstrate the step-by-step use of the main functions from this package.
Availability And Implementation:
The metabolomicsR package is available via CRAN and GitHub (https://github.com/XikunHan/metabolomicsR/). A step-by-step online tutorial is available at https://xikunhan.github.io/metabolomicsR/docs/articles/Introduction.html.
Supplementary Information:
Supplementary data are available at Bioinformatics Advances online.
