MRMhub Workflow Examples
Overview
This website provides reproducible workflows demonstrating the use of MRMhub for processing large-scale targeted lipidomics datasets. Each workflow is implemented as a rendered Quarto notebook, comprising a complete analysis pipeline with executable R code and corresponding outputs.
Two example workflows based on different raw datasets are included:
- Dataset 1: Targeted lipidomics data from the study by Tan et al. (Tan et al. 2022), measuring 503 features across 937 samples.
- Dataset 3: Targeted lipidomics data from the study by Chen et al. (Chen et al. 2025), measuring 829 features across 4,591 samples.
All datasets and the corresponding Quarto notebooks can be obtained from Zenodo (record mrmhub-workflows).
The corresponding GitHub repository does not include the datasets due to data size limitations.
These notebooks are provided as Supplementary Materials for a manuscript currently in preparation.
More Information
Contact
For questions, feedback, or reproducibility inquiries, please contact us via email (bo.burla@nus.edu.sg and hyung_won_choi@nus.edu.sg)