WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS)

This dataset is from an ongoing global survey of surface water metabolites to provide understanding of the character of organic matter that may be delivered to subsurface sediments via hydrologic exchange. Data from this survey are published in batches. This first batch contains data from 27 sites. To implement the global survey, free stream sampling kits were provided to interested researchers throughout the world. Samples were collected with minimal constraints in terms of location, but following strict protocols, and shipped to the Environmental Molecular Sciences Laboratory (EMSL) for metabolomic analysis via Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). In addition, basic geochemistry analyses (e.g., dissolved organic carbon concentration, cations, anions) were conducted, standardized photos of each field system were taken, surface water hydrographs were collated from existing instrumentation, and extensive metadata were captured. All data types are provided in a standard format.The data package contains an R function that will launch a GUI that can be used to easily search, visualize, compile, and download data. The data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. Please use the data package’s DOI to cite the data package. Note that individual hydrographs have separate DOIs, which are provided in the associated hydrograph files. These hydrograph-specific DOIs should also be cited when using those data. We ask that you email us at [email protected] to let us know that you're using the data and acknowledge WHONDRS and the U.S. Department of Energy's Subsurface Biogeochemical Research program—which generously provides funding to WHONDRS—in your documents, presentations, etc. There is no obligation to include WHONDRS members as co-authors. Please note that this data package was originally published in November 2018. It was updated in May 2020. See the readme file in the data package for details. None of the geochemistry or FTICR-MS data were altered between versions. The GUI was updated.