HERMES: a molecular formula-oriented method to target the metabolome - Dataset

This dataset contains all raw LC-MS1 and LC-MS2 data from river <em>s</em>urface water, <em>Escherichia coli, </em> and human plasma used in the paper <em>HERMES: a molecular formula-oriented method to target the metabolome, </em>as well as the RMarkdown vignettes generating the results and base figures. Please refer to the README file for more information about the data organization and script reproducibility. A collection of ready-to-use molecular formula databases can be found in this Zenodo dataset.