FTICR-MS Data from Global Inland River Water and Sediment and from Coastal River Fresh and Saline Sediment Associated with: "Trait-Based Chemogeography of Organic Matter Thermodynamics"

• Main Authors: Vanessa A. Garayburu-Caruso, Amy E. Goldman, Jason G. Toyoda, Rosalie Chu, Lupita Renteria, James C. Stegen, Aditi Sengupta, Joshua M. Torgeson
• Format: Dataset
• Language: unknown
• Published: ESS-DIVE: Deep Insight for Earth Science Data 2021
• 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; OM thermodynamic traits (Gibbs free energy and thermodynamic efficiency); EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE WATER; Austin; Fairbanks; Canada; Pacific; Norway; Alabama; British Columbia; Refugio; St. Louis; Theodore; Flint; Gulch; Augusta; South Fork; Burlington; North Fork; Wind River; Westport; Farmington; Woodstock; Blythe; Riverdale; Jordan River; Crooked River; Tyee; Blue River; Mendenhall River; Louis Creek; Gordon Creek; Little Wind River; Mayfield Creek; McRae Creek; Providence Creek; Beaver Creek; north slope; Alaska
• Online Access: https://search.dataone.org/view/ess-dive-eaf06ee8aaf16ca-20211005T192319250

This data package is associated with the publication "Trait-Based Chemogeography of Organic Matter Thermodynamics" submitted to Science (Stegen et al., 2021). The study aims to understand large-scale spatial structure of the organic matter (OM) thermodynamic traits and global inter-trait relationships by investigating (1) inland surface water and sediments collected along 97 global river corridors and (2) coastal sediment collected from fresh and saline locations in Pacific and Gulf/Atlantic river corridors. 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) WHONDRS_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 subfolder with R scripts used to process the data and create associated figures, and (4) 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 Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (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.