FTICR-MS Data from Multi-continent River Water and Sediment and from Coastal River Fresh and Saline Sediment Associated with: “Dissolved Organic Matter Functional Trait Relationships are Conserved Across Rivers”

• Main Authors: Vanessa A. Garayburu-Caruso, Amy E. Goldman, Jason G. Toyoda, Rosalie Chu, Lupita Renteria, James C. Stegen, Aditi Sengupta, Joshua M. Torgeson, Kathryn Willi, Matthew Ross
• Format: Dataset
• Language: unknown
• Published: ESS-DIVE: Deep Insight for Earth Science Data 2022
• Subjects: River corridor; Sediments; Coastal; Tidal; River; Stream; Organic matter; FTICR-MS; Metabolite; Metabolomics; Mass spectrometry; Thermodynamics; stream; Fourier transform ion cyclotron resonance mass spectrometry; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE WATER; OM thermodynamic traits (Gibbs free energy and thermodynamic efficiency); Alabama; Augusta; Austin; Blue River; Blythe; British Columbia; Burlington; Canada; Crooked River; Fairbanks; Farmington; Flint; Gordon Creek; Gulch; Jordan River; Lambda; Little Wind River; Louis Creek; Mayfield Creek; McRae Creek; Mendenhall River; North Fork; Norway; Pacific; Providence Creek; Refugio; Riverdale; South Fork; St. Louis; Theodore; Tyee; Westport; Wind River; Woodstock; Beaver Creek; north slope; Alaska
• Online Access: https://search.dataone.org/view/ess-dive-45c74690776298b-20230406T161548710593

This data package is associated with the publication “Dissolved Organic Matter Functional Trait Relationships are Conserved Across Rivers” submitted to PNAS (Stegen et al., 2023). The study aims to understand large-scale spatial structure of the dissolved organic matter (DOM) thermodynamic traits and inter-trait relationships by investigating (1) river water and sediments collected along 97 rivers spanning 3 continents and (2) coastal sediment collected from fresh and saline locations in Pacific and Gulf/Atlantic rivers. Sediment extracts and water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). This dataset is comprised of three folders (1) Coastal, (2) WHONDR_S19S, and (3) Data_Dictionaries. Coastal contains (1) a subfolder with processed FTICR-MS data as csv files and sample collection metadata, (2) a subfolder with R scripts used to process the data and create associated figures, (3) a subfolder with the raw, unprocessed FTICR-MS data as .xml files, and (4) a readme file with more information about the dataset and instructions for using Formularity (https://omics.pnl.gov/software/formularity). WHONDRS_S19S contains (1) a csv file with processed FTICR data, (2) a csv with sample collection metadata, (3) a csv with sample geospatial data, (4) a csv with simulated lambda model outputs, (5) a subfolder with R scripts used to process the data and create associated figures, and (6) a readme file with more information regarding WHONDRS raw FTICR data and processing scripts. Data_Dictionaries contains data dictionaries for each csv file in the data package. The 97 global river corridors were part of a WHONDRS (https://whondrs.pnnl.gov) study. The raw, unprocessed FTICR-MS data with additional data can be found at doi:10.15485/1729719 for sediments and doi:10.15485/1603775 for water. This data package contains the processed data used in the associated manuscript. The coastal data has not been previously published, and this data package contains both the raw and processed data. Version 3 of this data package published February 2023 includes updates to the title of the manuscript, additional data and data dictionary and updated scripts linked to new analysis.