GC-MS dataset - Tracking pollution sources in a river network by spatiotemporal modeling of untargeted GC-MS measurements

This repository contains untargeted gas chromatography–mass spectrometry (GC–MS) data collected from samples along a stretch of the River Rhine, from Orsoy to Bimmen. The dataset supports the findings presented in the article “Tracking pollution sources in a river network by spatiotemporal modeling of untargeted GC-MS measurements”. Temporally synchronized raw GC–MS data are provided for each sampling site within the investigated river stretch, as described in the article. The files are organized into folders by year (2012, 2013, and 2014), are provided in the .mzXML format, and follow the filename convention YYMMDD_SITE_HH.mzXML. The GC-MS data were measured and provided by Rijkswaterstaat and RIWA-Rijn.