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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
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DOE OSTI2020

Columbia River Surface Water and Pore Water Unaligned FTICR-MS Data Associated with “Using Community Assembly Metrics from Metacommunity Ecology to Understand Environmental Metabolomes”

Surface water and pore water samples were collected at five sites along a shoreline transect of the Columbia River, southeastern WA, USA in 2017. This dataset is comprised of (1) high resolution characterization of dissolved organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) analyzed through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) and (2) a metadata csv file. The FTICR-MS files are .xml, and the data package includes instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user’s specific needs. The data are associated with the publication “Using community assembly metrics from metacommunity ecology to understand environmental metabolomes” that will be published in Nature Communications (Danczak et al.). The study aimed to investigate gaps in understanding the spatiotemporal organization of environmental metabolomes to improve the ability to predict ecosystem function. Associated sequencing data will be published via NCBI. The access information for NCBI and the publication DOI will be added to this abstract when they are available. Please use the data package’s DOI to cite the data package. We ask that you acknowledge the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) Subsurface Biogeochemical Research (SBR) program when using the data. All data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. There is no obligation to include data package authors as co-authors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Aligned FTICR-MS, Respiration, and Biochemical Transformation Data from Columbia River Sediment Incubations Associated with: “Carbon Limitation Leads to Thermodynamic Regulation of Aerobic Metabolism”

Columbia River hyporheic zone sediments from the Hanford Site 300 Area in eastern Washington were incubated in a full factorial design with different organic matter (OM) amendments. The aim of the experiment was to test the influence of OM thermodynamics on aerobic respiration across different organic carbon pools and concentrations. This dataset is comprised of (1) a csv with high resolution characterization of dissolved organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) analyzed through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory), (2) a csv with sample IDs, replicates, amendments, dissolved oxygen (DO) measurements, and sampling time points, (3) a csv with sample IDs, replicates, respiration rates, FTICR summary metrics, and relative abundance of chemical classes; and (4) a csv with the number of chemical transformations in each sample replicate (microcosm). The data are associated with the publication “Carbon Limitation Leads to Thermodynamic Regulation of Aerobic Metabolism” published in ES&T Letters (Garayburu-Caruso et al., 2020). Please use the data package’s DOI to cite the data package. We ask that you acknowledge the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) Subsurface Biogeochemical Research (SBR) program when using the data. All data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. There is no obligation to include data package authors as co-authors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Respiration data, microbial community assembly data, and FTICR-MS data associated with: “Disturbance Triggers Non-Linear Microbe-Environment Feedbacks. Sengupta et al., 2021, Biogeosciences”

This data package is associated with the manuscript “Disturbance Triggers Non-Linear Microbe-Environment Feedbacks, in revision in Biogeosciences (Sengupta et al. and 2021;https://bg.copernicus.org/preprints/bg-2021-51/). The study used hyporheic zone sediments as a model system to provide an integrated view of how disturbance modulates linkages among microbial ecology, biogeochemistry, and organic matter thermodynamics. Laboratory experiments exposed hyporheic sediment to varying wetting/drying dynamics. Data types include dissolved oxygen rates used to derive respiration rates, Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS) data used to derive thermodynamic properties of organic matter, and microbial community assembly metrics derived from amplicon-sequence data of putatively active (cDNA) and whole community (gDNA). The outcomes of the study are condensed into a broadly applicable conceptual model linking external forcing, internal dynamics, and history. This data package is comprised of a file-level metadata (FLMD) csv, metadata csv, and seven folders that contain csv files, R scripts, xml files, and associated documentation: (1) Rates, (2) bNTI, and (3) FTICR, (4) Statistics_Analyses, (5) Raw OTU Beta dispersion Analysis, (6) bMNTD Randomizations, and (7) Data Dictionaries. The FLMD file has a description of each file included in the data package.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

East River Surface and Pore Water FTICR-MS Data Associated with “Implications of sample treatment on characterization of the riverine environmental metabolome”

Surface and pore water samples were collected from distributed locations around Meander A in East River (Crested Butte, CO, USA) during the summer of 2018. This dataset consists of the characterization of dissolved organic matter using 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS; in .xml format) analyzed through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) using two different sample pre-treatment methods (solid phase extraction, no solid phase extraction) and two electrospray ionization methods (ESI-positive, ESI-negative) to identify the impacts of these choices on the final dataset. This study aimed to understand how the different sample processing methods influence the resulting FTICR-MS dataset. Any published work that utilizes data presented in this dataset should cite the dataset using the DOI number. If using the dataset, please acknowledge the U.S. Department of Energy (DOE) Office of Science (BER) Subsurface Biogeochemical Research (SBR) program, the Environmental Molecular Sciences Laboratory (EMSL), and Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (WHONDRS). The publication DOI will be added to this abstract when available.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optode Images, and Dissolved Oxygen Data from Sand and Sediment Flow-through Column Experiments associated with: "2-D Imaging of Dissolved Oxygen Concentration in Flow-Through Sediment Columns"

This data package is associated with the publication "2-D Imaging of Dissolved Oxygen Concentration in Flow-Through Sediment Columns" submitted to Frontiers in Water (Garayburu-Caruso et al., 2022). This work presents a novel application of planar optode technology to sediment columns that allows the study of well-constrained flow fields without the need to assume completely homogeneous flow. We introduce a flow-through column with the interior coated in an oxygen sensing film and a series of sampling ports as a unique tool capable of capturing changes in dissolved oxygen (DO) at high frequency (10 s) and spatial (< 1 mm) resolution across the length of a column. In addition, we provide custom scripts that allows image processing steps to be automated and consistently reproduced over a variety of experimental conditions. This dataset is comprised of four folders (1) 01_Riverbed_Sediment_Experiment, (2) 02_Sand_Experiment, (3) 01_Riverbed_Sediment_Raw_Images, and (4) 02_Sand_Experiment_Raw_Images. 01_Riverbed_Sediment_Experiment contains (1) a subfolder with csv files that contain statistical parameters from the linear regressions applied to each optode image, (2) a subfolder with csv files from DO data measured by in-line sensors, (3) a subfolder with csv files containing column and injection specific input parameters for the image processing script, and (4) a subfolder with scripts used to process the images and create associated figures. 02_Sand_Experiment contains (1) a subfolder with csv files containing column and injection-specific input parameters for the image processing script, and (2) a subfolder with scripts used to process the images and create associated figures. 01_Riverbed_Sediment_Raw_Images (spited in 3 parts due to size) contains a subfolder with raw red, and green images from the optode system during the MilliQ Injection, Vanillin Injection or Vanillin + Sampling Injection respectively. 02_Sand_Experiment_Raw_Images contains a subfolder with raw red, and green images from the optode system. Outside of the main folders there is a csv containing file-level metadata and a csv data dictionary defining column headers for all csv files contained in the data package.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Time Series Surface Temperature of Variably Inundated Sediment across 30 North American Rivers

This dataset supports a broader study examining drivers of organic matter chemistry in variably inundated hyporheic zone sediments and further linking that chemistry to biogeochemical rates. The dataset provides surficial temperature time series that can be used to infer the dynamics of inundation prior to the collection of sediments. Those inferred inundation histories can then be used to help interpret variation in the organic matter chemistry. There are related data that will be published, such as FTICR-MS data on organic matter chemistry and sediment moisture. A data package with those data is forthcoming.This dataset is comprised of two folders: (1) ECA1_iButtonData and (2) ECA1_SitePhotos. The ECA1_iButtonData folder contains: (1) file-level metadata, (2) data dictionary, (3) field metadata, (4) installation methods, (5) iButton deployment protocol, (6) readme, and (7) folder of individual time series temperature csv files for each iButton sensor deployed. The ECA1_SitePhotos folder contains site photographs taken in the field. All files are .csv, .txt, .pdf, or .jpg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

FTICR, NPOC, TN, and Moisture of Variably Inundated Sediment across 48 North American Rivers

This dataset supports a broader study examining drivers of organic matter chemistry in variably inundated hyporheic zone sediments and further linking that chemistry to biogeochemical rates. The dataset provides physical and chemical sediment data collected from 48 rivers across North America. There are related data that will be published, including surficial sediment temperature time series that can be used to infer the dynamics of inundation prior to the collection of sediments. This dataset is comprised of two folders: (1) ECA2_Sediment and (2) ECA2_SitePhotos. The ECA2_Sediment folder contains: (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) non-purgeable organic carbon (NPOC), total nitrogen (TN), and sediment moisture; (5) sediment sampling protocol, (6) readme, and (7) folder of high resolution characterization of organic matter from sediment extracts via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR-MS files are .xml, and the data package includes instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All other files are .csv, .txt, or .pdf. The ECA2_SitePhotos folder contains a readme and site photographs taken in the field. All files are .txt or .jpg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

FTICR-MS, Sensor, and Environmental Data from 5 Streams Impacted by the 2020 Holiday Farm Fire Associated with: "Spatiotemporal controls on the delivery of dissolved organic matter to streams following a wildfire"

This data package is associated with the publication "Spatiotemporal Controls on the Delivery of Dissolved Organic Matter to Streams Following a Wildfire" submitted to Geophysical Research Letters (Roebuck et al., 2022). The study aims to understand storm induced transport of pyrogenic materials to streams impacted by varying degrees of burn severity. Time series samples (24 samples in 1-hour intervals) were collected at 5 sites within the McKenzie River Watershed (Oregon, USA) whose catchment were each completely engulfed by the 2020 Holiday Farm Fire. The samples were collected in November 2020 during the first major storm pulse following the conclusion of the wildfire. Samples were characterized for dissolved organic carbon, total dissolved nitrogen, and by ultra-high resolution mass spectrometry. In situ turbidity data also collected.This data package contains 4 primary folders that include the following: 1) Metadata, 2) EnvData (Environmental Data), 3) SensorData, and 4) FTICR_SupportingData. The package contains a single file-level metadata (flmd) file. Each primary folder also contains individual data dictionaries (dd) to define and provide descriptors of column/row headers and data flags. The FTICR_SupportingData, folder 4, contains raw, unprocessed FTICR-MS Data files in addition to a csv containing processed FTICR-MS data. This package contains the following file types: csv, xml, pdf.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

WHONDRS Surface Water and Sediment Non-Purgeable Organic Carbon and FTICR-MS across Glacial Features in Svalbard 2021 (v3)

This dataset supports a broader study examining land-atmosphere gas exchange associated with permafrost and glaciers in Svalbard. The dataset provides geochemistry and organic matter characterization data generated from surface water and sediment. Samples were collected from 8 spatially diverse sites across central Svalbard and also from a more comprehensive temporal and spatial study within one glacial catchment area throughout one summer melt season. Related data were collected and will be published separately in collaboration with Yde and Kleber.This data package was originally published in September 2022. It was updated in March 2023 (v2; new and modified files), and July 2025 (v3; modified files). See the change history section in the readme for details.For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved organic carbon (DOC; measure as non-purgeable organic carbon; NPOC); (5) surface water sampling protocol; (6) sediment extraction protocol; (7) readme; (8) methods codes; (9) international generic sample number (IGSN) mapping file; and (10) folder of high resolution characterization of organic matter via 7 and 12 Tesla (7T and 12T) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders containing the 7T and 12T .xml data files and another subfolder containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Temporal Study 2021-2022: Sensor-Based Time Series of Surface Water Temperature, Specific Conductance, Total Dissolved Solids, Turbidity, pH, and Dissolved Oxygen from across Multiple Watersheds in the Yakima River Basin in Washington, USA (v2)

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides periodic (weekly or biweekly) in situ hydrological and water chemistry sensor data, handheld sensor water chemistry data, general environmental context photos, and field metadata collected at six sites within multiple rivers in the Yakima River Basin in Washington, USA. In addition to the sensor data, there are plots of continuous in situ sensor data and R scripts used to generate the plots. Related sample-based water chemistry data are published separately at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1898912.The data package was originally published in September 2022. It was updated in June 2025 (v2; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing two sensor-specific subfolders, and one photographs folder. The main data folder includes file-level metadata (flmd), data dictionary (dd), installation methods, field metadata, handheld sensor data, field data collection protocols, international generic sample number (IGSN) mapping file, and a readme file. Each sensor subfolder (BarotrollAtm and MantaRiverData) contains a subfolder containing sensor timeseries data and plots. The BarotrollAtm Data subfolder contains In Situ Rugged BaroTROLL sensor pressure and air temperature data. The MantaRiverData subfolder contains Eureka Manta+ 35B multisonde temperature, specific conductance, and turbidity. The FieldPhotos folder contains environmental context photographs and videos. All files are .csv, .pdf, .R, .jpg, .jpeg, .heic, .mov, or .mp4.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

WHONDRS Surface Water Dissolved Organic Carbon and FTICR-MS across Stream Orders in Four United States Watersheds in 2019 and 2020 (v3)

This dataset supports the broader Watershed Rules of Life (WROL) study examining spatial and temporal biogeochemical and microbial relationships across the Connecticut River, Deschutes River, Gunnison River, and Willamette River watersheds. The dataset provides geochemistry and organic matter characterization data generated from surface water collected from August 2019 to September 2020 in Colorado, Connecticut, Oregon, and Vermont. Related data were collected and will be published separately in collaboration with P. A. Raymond and B. C. Crump as part of WROL. This dataset is comprised of one folder containing (1) file-level metadata; (2) data dictionary; (3) readme; (4) field metadata; (5) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (6) surface water sampling protocol; (7) methods codes; (8) international generic sample number (IGSN) mapping file; and (9) a folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. This data package was originally published in October 2022. It was updated in July 2023 (v2) and again in November 2023 (v3). See the change history section in the readme for more details.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Temporal Study 2021-2022: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected at weekly or bi-weekly intervals at six sites across the Yakima River Basin in Washington, USA. Related sensor data will be published separately and can be used to link sediment respiration rates to biogeochemical processing rates. The data package was originally published in November 2022. It was updated in November 2023 (v2; modified files) and April 2025 (new and modified files). See the change history section in readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), and ions; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol; (8) readme; (9) methods codes; (10) international generic sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected our data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

WHONDRS Surface Water Chemistry and Organic Matter Characterization along the St. Lawrence River's Inland to Coastal Gradient, Eastern North America (v2)

This dataset supports a broader study examining the inland (Lake Ontario) to coastal (North Atlantic Ocean) geochemistry gradient along the St. Lawrence River in Canada and the United States. The St. Lawrence River is unique in that it contains the convergence of multiple water masses with distinct water signatures that mix only slightly as the river flows downstream. The dataset provides dissolved organic carbon (DOC) and organic matter characterization data generated from surface water. Samples were collected by researchers on board the Lampsilis research vessel (l’Université du Québec à Trois-Rivières) and small boats (St. Lawrence River Institute of Environmental Sciences, Cornwall) at 94 locations across and along the St. Lawrence River to capture longitudinal and transverse variation. Related data were collected and will be published separately in collaboration with the MicrEAU Laboratory (François Guillemette; l’Université du Québec à Trois-Rivières) and the Exploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) program. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (5) surface water sampling protocol; (6) readme; (7) methods codes; (8) international geo-sample number (IGSN) mapping file; and (9) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. The data package was originally published in November 202. It was updated in April 2025 (v2; modified files). See the change history section in the readme for details.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Spatial Study 2021: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected during the same two-week period at 47 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Related sensor data are published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054. This data package was originally published September 2022. It was updated May 2023 (modified files) and November 2024 (new and modified files). See the change history section in the readme for more details. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), ions, and benzene polycarboxylic acid (BPCA) concentration and stable isotope data; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol (8) readme; (9) methods codes; (10) international generic-sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We thank the United States Forest Service, Washington Department of Natural Resources, Washington Department of Fish and Wildlife, Washington State Parks, Confederated Tribes and Bands of the Yakama Nation, and Cowiche Canyon Conservancy for access to field locations where these samples were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

East River Pore Water FTICR-MS Data associated with "Geomorphic and Hydrogeochemical Controls on Fine-Scale Hyporheic Microbiome Assembly and Function"

Pore water samples were collected from distributed locations around Meander A in East River (Crested Butte, CO, USA) during the summer of 2018. This dataset consists of the characterization of dissolved organic matter using 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS; in .xml format) analyzed through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory).This study aimed to understand organic matter assemblages differ within a streambed with differing geomorphology and the interplay between streambed organic matter and microbiome function. Any published work that utilizes data presented in this dataset should cite the dataset using the DOI number. If using the dataset, please acknowledge the U.S. Department of Energy (DOE) Office of Science (BER) Subsurface Biogeochemical Research (SBR) program, the Environmental Molecular Sciences Laboratory (EMSL), and Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (WHONDRS). The publication DOI will be added to this abstract when available.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

WHONDRS Surface Water Dissolved Organic Carbon and FTICR-MS across Glacial Features in Svalbard 2022

This dataset supports a broader study examining climatic forcing of terrestrial greenhouse gas emission through permafrost and glaciers in Svalbard. The dataset provides geochemistry and organic matter characterization data generated from surface water collected from 11 sites across central Svalbard. Data were also collected in 2021 and can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1888571. Additional related data were collected and will be published separately in collaboration with Yde and Kleber.This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved organic carbon (DOC; measured as non-purgeable organic carbon; NPOC); (5) surface water sampling protocol; (6) readme; (7) methods codes; (8) international geo-sample number (IGSN) mapping file; (9) a folder of field photos; and (10) folder of high resolution characterization of organic matter via 7 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Optode performance data associated with: Metabolic Multireactor: practical considerations for using simple oxygen sensing optodes for high-throughput batch reactor metabolism experiments

This data package is associated with the publication “Metabolic Multireactor: practical considerations for using simple oxygen sensing optodes for high-throughput batch reactor metabolism experiments”, submitted to PlosONE (Kaufman et al. 2023; 10.1101/2023.03.28.534656).We carried out many testing and calibration experiments on a system of small oxygen consumption batch reactors designed for use with water and sediment samples for environmental questions. The oxygen sensing system is based very directly on the work of Larsen, et al. [2011], and similar oxygen sensing technology is widely used in the literature. Our primary focus was on practical considerations, such as temperature effects, lighting angle effects, sterilization, and other similar situations that a user may find useful. Most of the tests required comparing “base” calibration curves to “treatment” calibration curves to determine the extent to which the treatment impacted the reported measurements. This data package contains the performance and calibration data collected for that purpose.This dataset is comprised of one data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; (4) diffusion test result files; (5) limit of detection test result files; (6) temperature impact files; (7) a main data file that contains test results for all other tests; and (8) an R script that uses Kolmogorov-Smirnov tests to determine whether treatment calibrations are significantly different from their respective base calibrations. All files are .csv, .txt, .Rmd, or .pdf.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Yakima River Basin Temporal Study: Sensor and Sample Data from Wenas Creek following the Evans Canyon Fire in Washington, USA

The Evans Canyon Fire occurred in Washington in August 2020 and burned 76,000 acres of the semi-arid shrub-steppe landscape at low to moderate severities. This fire burned across the Wenas Creek watershed, allowing for a sampling design that included a portion of the stream within the burned area and a reference site upstream of the burn. Monthly data was collected at an unburned (W10) and burned (W20) site from November 2020 to August 2022 for in situ hydrological and water chemistry sensor data, handheld sensor water chemistry data, general environmental context photos, and field metadata. This dataset is comprised of one folder with field photos and one main data folder containing (1) sensor and sample field protocols; (2) file-level metadata (flmd); (3) data dictionary (dd); (4) international geo-sample number (IGSN) mapping file; (5) field metadata; (6) readme; (7) methods codes; (8) dissolved organic carbon (DOC; measured as non-purgeable organic carbon; NPOC); (9) total nitrogen (TN); (10) total suspended solids (TSS); (11) sensor data (specific conductance, pH, total dissolved solids, temperature, pressure, dissolved oxygen, and turbidity) averages; and (12) sensor installation methods. All files are .csv, .jpg, .jpeg, or .pdf.

54 ENVIRONMENTAL SCIENCES↗