This repository contains some of the data sets from a metabolomics experiment published in Schermer et al. (2025). Raw spectral files can be downloaded from MetaboLights (Yurekten et al., 2024) https://www.ebi.ac.uk/metabolights/MTBLS12332 study identifier MTBLS12332. The experimental setup is explained in detail in Schermer et al. (2025) and a brief overview is shown in the figure below.
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| Overview of the experimental setup. Created in https://BioRender.com |
The data from this repository is used in the vignettes of the metamorphr package.
Schermer, Y., Wagner, F., Stegmüller, S., & Richling, E. (2025). Comparison of popular enrichment methods for untargeted in vitro metabolomics. Metabolomics, 21(4), 103. https://doi.org/10.1007/s11306-025-02309-0
Yurekten, O., Payne, T., Tejera, N., Amaladoss, F. X., Martin, C., Williams, M., & O’Donovan, C. (2024). MetaboLights: Open data repository for metabolomics. Nucleic Acids Research, 52(D1), D640–D646. https://doi.org/10.1093/nar/gkad1045