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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A bespoke model of Arctic river basins based on hillslope delineation: Model Archive

This dataset is a model archive of the paper A bespoke model of Arctic river basins based on hillslope delineation (in prep), which introduces a watershed decomposition and parameterization method for large scale permafrost hydrology simulation. With this dataset, this study aims to address the research question: whether a computationally efficient hillslope-based modeling framework can reliably simulate discharge at Arctic river-basin scales. This dataset contains model input and output data for five modeling scenarios at a study site located in the Sagavanirktok River basin. The five modeling scenarios include three modeling cases under temperate conditions using full 3D, decomposed 3D, and decomposed 2D modeling strategies; and two modeling cases under actual Arctic conditions with permafrost using full 3D and decomposed 2D modeling strategies. Simulations were performed using the Advanced Terrestrial Simulator (ATS, v1.6 for three temperate scenarios and v1.5 for two Arctic scenarios), a physics-rich integrated surface–subsurface hydrologic model with cryo-hydrology features. For the three temperate models, simulations were conducted for the period of 10/01/1993 - 09/30/2002; and for the two Arctic models, simulations were conducted for the period of 01/01/1994 - 12/31/2002. To facilitate reproducibility of simulations, all datasets are organized hierarchically. The dataset contains: (1) Mesh files (.exo) for full 3D model, decomposed 3D models, and decomposed 2D models, located in huc/190604020802_gauge15906000/mesh/. Mesh files can be visualized through Paraview or read by Python. (2) Climate forcings (.h5) for full 3D model and decomposed 3D/2D models are located in huc/190604020802_gauge15906000/daymet_onePiece/, and huc/190604020802_gauge15906000/vp_pr_revised_daymet_1980_2006_with_wind/ separately. Accessible by Python. (3) Raw measured gage discharge (.csv) from USGS, located in huc/190604020802_gauge15906000/gaged_basin15906000_discharge_usgs/. Accessible by Python. (4) Delineated subdomain raster (.tif) and shape files (.shp), and the final parameterized results (.npy) for decomposed models, located in huc/190604020802_gauge15906000/data_preprocessed-meshing. Accessible by Python. (5) Temperate models are located in nonpermaf_huc190604020802_gauge15906000/, which includes three cases: decomposed 2D models (inside model_0*-hillslope_*), decomposed 3D models (inside model_1*-subcatchment_*), and full 3D model (inside model_2*-onepiece_*). Two step spin-up results (checkpoint_final.h5) are located in model_*1-*_spinup_steadystate and model_*2-*_spinup_cycle, separately, which are used to initialize real transient models. The input files (.xml) and output results (.dat) of the real transient models are located in model_*3-*_transient/. Especially, for two example hillslope models (ID=-11 and 11), additional h5py files are included in model_03-hillslope_transient/hillslope-11/, model_03-hillslope_transient/hillslope11, model_13-subcatchment_transient/subcatchment-11/, model_13-subcatchment_transient/subcatchment/11, respectively, which are used to plot the saturation figure (Figure 5) in the manuscript. Accessible by Python. (6) Arctic models are located in huc190604020802_gauge15906000/, which includes two cases: decomposed 2D models (inside model_04-hillslope_transient), and full 3D model (inside model_05-onepiece_transient_mannp1_ra). Three step spin-up results (checkpoint_final.h5) are located in model_01-column_freezeup/, model_02-column_spinup/, model_03-hillslope_spinup/, respectively, which are used to initialize real 2D transient hillslope models. The input files (.xml) and output results (.dat) of transient 2D hillslope models are located in model_04-hillslope_transient/. The input files (.xml) and output results (.dat) of the full 3D transient model is located in model_05-onepiece_transient_mannp1_ra/. The full 3D transient model is initialized by model_02-column_spinup/. Accessible by Python. (7) The MOSART routed discharge results (.csv) under Arctic conditions is located in huc190604020802_gauge15906000/MOSART/. Accessible by Python. (8) All Python codes (.py) used to parameterize full 3D model to decomposed 2D models are located in script/. These codes fit with watershed workflow (a watershed delineation tool) v1.4 under the branch gaob/v1.4 from https://github.com/gaobhub/watershed-workflow.git.

EARTH SCIENCE > CRYOSPHERE↗
DOE OSTI2026

WHONDRS Surface Water Geochemistry and Organic Matter Characterization Data from Streams Distributed across Latin America

This dataset supports a broader study examining global transferability of stream biogeochemistry and was generated in collaboration with the MicroSudAqua (µSudAqua) network (https://microsudaqua.netlify.app/en/). The dataset provides surface water geochemistry (dissolved organic carbon, total dissolved nitrogen, cations) and organic matter characterization (FTICR-MS) from streams in Argentina, Brazil, Chile, and Colombia. Samples were collected across stream orders (1st to 6th order) within five basins. Related data were collected and will be published separately in collaboration with the µSudAqua network. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to this readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos; (2) a folder of surface water sample data, (3) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data; (4) file-level metadata; (5) data dictionary; (6) field metadata; (7) readme; (8) international generic sample number (IGSN) mapping file; and (9) field protocol. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) total dissolved nitrogen data and averages; (3) anions and averages; (4) methods codes; (5) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4.

Anions↗
DOE OSTI2025

Over three decades, and counting, of near-surface turbulent flux measurements from the Atmospheric Radiation Measurement (ARM) user facility

Processes mediating the coupling of terrestrial, aquatic, biospheric, and atmospheric systems influence weather, climate, and ecosystem dynamics via transfer of energy, momentum, water, and carbon (or other species). These exchange processes are quantified by measurements of near-surface turbulent fluxes. Understanding processes at these interfaces provides insight toward understanding and predicting current and future states within the Earth system. The Atmospheric Radiation Measurement (ARM) user facility has been conducting measurements of near-surface turbulent fluxes since the early 1990s at long-term fixed locations and shorter-term mobile deployments across the Earth. ARM has utilized two established methods for conducting these measurements: energy balance Bowen ratio (EBBR) and eddy covariance (EC). Primary measurements from the former include sensible and latent heat flux, while the latter also measures fluxes of momentum and carbon (primarily carbon dioxide, with methane fluxes measured at two locations to date). The EBBR systems have been deployed at 22 locations, and, to date, the EC systems have been deployed at over 50 sites, with plans for additional novel site locations in the future. Herein, the history, evolution, and key aspects of these instrument systems are documented, along with information on data quality assurance and post-processing, as well as best use practices. Additionally, three data validation experiments were recently conducted, and their key findings are summarized. Finally, ancillary datasets acquired by ARM, which can contextualize and aid interpretation of the near-surface turbulent flux measurements, are discussed. The datasets described herein include the eddy correlation flux measurement system: 30ECOR (https://doi.org/10.5439/1879993, Sullivan et al., 1997), 30QCECOR (https://doi.org/10.5439/1097546, Gaustad, 2003), ECORSF (https://doi.org/10.5439/1494128, Sullivan et al., 2019a), and associated AmeriFlux and Methane Value-Added Product, AMCMETHANE (https://doi.org/10.5439/1508268, Billesbach, 2011); the energy balance Bowen ratio system: 30EBBR (https://doi.org/10.5439/1023895, Sullivan et al., 1993) and 30BAEBBR (https://doi.org/10.5439/1027268, Gaustad and Xie, 1993); and the carbon dioxide flux measurement system: CO2FLX (https://doi.org/10.5439/1287574, https://doi.org/10.5439/1287575, https://doi.org/10.5439/1287576, Koontz et al., 2015a, b, c; https://doi.org/10.5439/1989774, https://doi.org/10.5439/1989776, https://doi.org/10.5439/1992202, Biraud and Chan, 2002a, b, c). These data can be found by searching the above data stream names at https://adc.arm.gov/discovery/#/results/ (last access: 8 September 2025).

Sullivan, Ryan C. [Argonne National Laboratory (AN↗
DOE OSTI2021

Origin of the isotopic composition of natural perchlorate: Experimental results for the impact of reaction pathway and initial ClO x reactant

Natural perchlorate (ClO 4 - ) exists in many places on Earth, in lunar regolith, meteorites, and on the surface of Mars. Terrestrial natural ClO 4 - has widely variable Cl and O stable isotopic compositions (δ 37 Cl, δ 18 O, Δ 17 O). The δ 18 O and Δ 17 O values of ClO 4 - from the most hyper-arid locations co-vary. ClO 4 - from less arid areas has relatively little 17 O excess and poor Δ 17 O-δ 18 O correlation. ClO 4 - from the Atacama Desert has unusually low δ 37 Cl (<-10‰) and exhibits a positive correlation between δ 37 Cl and δ 18 O, while the δ 37 Cl of ClO 4 - from all other locations varies between -5 and +7‰ with no δ 37 Cl-δ 18 O covariation. To evaluate the impact of different precursors (ClO x ) and reaction pathways on the isotopic composition of ClO 4 - , we measured the isotopic composition of ClO 4 - produced in the laboratory by UV or O 3 mediated aqueous oxidation of Cl-, OCl-, ClO2-, and ClO2° as well as O 3 mediated oxidation of dry NaCl. ClO x oxidation in aqueous or dry systems enriched in O 3 produced ClO 4 - with Δ 17 O values that generally increased with the number of O atoms required and included evidence that the site-specific 17 O anomaly in O 3 was preferentially transferred to ClO 4 - . Based on the inferred number of O atoms sourced from O 3 , and known Cl and O reaction pathways, it appears that ClO 2 ° and ClO 3 * were required intermediates in the production of ClO 4 - in the O 3 experiments. ClO x aqueous oxidation by UV irradiation produced ClO 4 - with a large range of δ 18 O values and little or no 17 O anomaly. ClO 3 - was produced to a much greater extent than ClO 4 - in all experiments except dry oxidation of NaCl by O 3 . The isotopic composition of ClO 3 - was distinct from that of ClO 4 - produced from the same initial reactants. Combined results of O 3 and UV mediated reactions largely bracketed the range of natural ClO 4 - δ 18 O and Δ 17 O values as well as δ 37 Cl values of non-Atacama natural samples, but no conditions produced the low δ 37 Cl values of Atacama ClO 4 - . Finally, our results indicate that variation in production mechanisms, possibly combined with isotopically variable precursors, could be responsible for much of the observed isotopic variation in natural ClO 4 - and ClO 3 - .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Use of Shallow Ice Core Measurements to Evaluate and Constrain 1980–1990 Global Reanalyses of Ice Sheet Precipitation Rates

Abstract Sea‐level rise (SLR) projections by Earth System Models (ESMs) depend on ice sheet surface mass balances. Accurate, global atmosphere reanalyses would be ideal for providing equilibrated ice sheet model initial conditions in fully coupled ESM simulations. Here we present the first evaluation of 1980–1990 global reanalysis precipitation over Greenland and Antarctica that uses independent observations of net accumulation rates derived from shallow ice cores. Precipitation distributions from both the European Centre for Medium‐Range Weather Forecast's Reanalysis (ERA5) and the Modern‐Era Retrospective Analysis for Research and Applications (MERRA‐2) are highly correlated with contemporaneous co‐located net accumulation rates from Greenland ( r 2 > 0.95) and West Antarctica ( r 2 > 0.7). Three other commonly used reanalyses (WFDE5, CRUNCEP, and GSWP3) exhibit significantly weaker correlations on one or both ice sheets. Our findings imply that ESMs should use ERA5 or MERRA‐2 in data‐forced simulations to validate ice sheet model dynamics and precondition firn for SLR projections.

Schneider, Adam↗
DOE OSTI2023

Enhancing two-photon spontaneous emission in rare earths using graphene and graphene nanoribbons

The enhancement of two-photon spontaneous emission (2PSE) from trivalent and divalent rare earth ions in proximity to graphene and graphene nanoribbons is calculated for achievable experimental conditions using a combination of finite difference time domain simulations and direct computation of transition rates between energy levels in rare earths. For Er 3+ , we find that the 2PSE rate is initially 8 orders lower than the single-photon spontaneous emission rate but that, with enhancement, 2PSE can reach 2.5% of the overall decay. When graphene nanoribbons are used, we also show that the emission of free-space photon pairs from Er 3+ at 3–3.2 μ⁢m via 2PSE can be increased by ~400. Our calculations show significantly less relative graphene-enhanced 2PSE than previous works, and we attribute this variation to differences in emitter size and assumed graphene mobility. Here, we also show that the internal energy structure of the ion can have an impact on the degree of 2PSE enhancement achievable and find that divalent rare earths are more favorable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The COMBLE campaign: a study of marine boundary-layer clouds in Arctic cold-air outbreaks

One of the most intense air mass transformations on Earth happens when cold air flows from frozen surfaces to much warmer open water in cold-air outbreaks (CAOs), a process captured beautifully in satellite imagery. Despite the ubiquity of the CAO cloud regime over high-latitude oceans, we have a rather poor understanding of its properties, its role in energy and water cycles, and its treatment in weather and climate models. The Cold-air Outbreaks in the Marine Boundary Layer Experiment (COMBLE) was conducted to better understand this regime and its representation in models. COMBLE aimed to examine the relations between surface fluxes, boundary-layer structure, aerosol, cloud and precipitation properties, and mesoscale circulations in marine CAOs. Processes affecting these properties largely fall in a range of scales where boundary-layer processes, convection, and precipitation are tightly coupled, which makes accurate representation of the CAO cloud regime in numerical weather prediction and global climate models most challenging. COMBLE deployed an Atmospheric Radiation Measurement Mobile Facility at a coastal site in northern Scandinavia (69°N), with additional instruments on Bear Island (75°N), from December 2019 to May 2020. CAO conditions were experienced 19% (21%) of the time at the main site (on Bear Island). A comprehensive suite of continuous in situ and remote sensing observations of atmospheric conditions, clouds, precipitation, and aerosol were collected. Because of the clouds’ well-defined origin, their shallow depth, and the broad range of observed temperature and aerosol concentrations, the COMBLE dataset provides a powerful modeling test bed for improving the representation of mixed-phase cloud processes in large-eddy simulations and large-scale models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Differential concentration discharge for the upper and lower reaches of the East River Watershed, Colorado

This dataset captures the difference in concentration over the difference in discharge across upper and lower reaches of the East River watershed for 2015 and 2016 water years. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. Herein, the upper reach is defined as the segment between EAQ (East Above Quigley) and EBC (East Below Copper), and the lower reach is defined as the segment between EBC and PH (Pump House). The overall purpose of the dataset is to provide a better accounting of the gains, losses or fractional solute turnover between sampling stations. Compiled data for the two segments (EAQ to EBC and EBC to PH) are provided in two Excel files, and the same data are provided in csv format in the corresponding zip files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

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”

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.

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 OSTI2021

Biogeochemistry of Pond B (Savannah River Site, South Carolina, USA): Water column and Sediments

Pond B at Savannah River Site (SRS, South Carolina) is a monomictic reservoir that received SRS R reactor cooling water from 1961–1964. Previous studies conducted between the 1980s–1990s on the water column and sediments of Pond B measured trace amounts of Pu (33 MBq 238Pu and 430 MBq 239,240Pu), 241Am, and 137Cs. Since then, the pond has been relatively isolated and the radionuclide concentrations have not been monitored over time. Herein, about 30 years after the last publication on Pond B, we are re-evaluating the geochemistry and radionuclide distribution within Pond B at five locations along a horizontal transect from the inlet to outlet. In addition, we are conducting the first analysis of the microbial community composition. This data package consists of water column measurements (1) using a multi-probe sonde, (2) plutonium isotopes and total concentrations, (3) total organic/inorganic carbon concentrations, (4) trace metals and major ions concentrations, and (6) microbial community composition. Sediment measurements include (1) plutonium isotopes and total concentrations and (2) microbial community composition.For sediment core and porewater, please see other Pond B data package (ess-dive-60d2352a4495472-20200615T203925174).The data in this package will be submitted for peer review in 2023.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Geospatial Information, Metadata, and Maps for Global River Corridor Science Focus Area Sites (v5)

This dataset provides geospatial information, metadata, and maps for the Pacific Northwest National Laboratory (PNNL) River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) sites. The RC-SFA works to transform understanding of spatial and temporal dynamics in river corridor hydrobiogeochemical functions from molecular reaction to watershed and basin scales. The knowledge we gain is used to formulate and test hypotheses and to improve mechanistic representation of river corridor processes and their response to disturbances in multiscale models of integrated hydrobiogeochemical function. The data provided includes Site ID, latitude, longitude, stream name, and common ID (COMID) for sites used across the RC-SFA. The COMID can be used to find and download data from NHDPlus (https://www.epa.gov/waterdata/nhdplus-national-hydrography-dataset-plus) and other platforms. The sites included are non-exhaustive. Sites (including past sites) will be added to this data package in the future. Data generated from the RC SFA can be accessed at https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA. This data package was originally published in April 2023. It was updated in June 2023 (v2; modified files), December 2023 (v3; modified files), January 2025 (v4; modified files), and December 2025 (v5; modified files). See the change history section in the readme for more details. This dataset is comprised of one main data folder. The data folder consists of (1) file-level metadata; (2) data dictionary; (3) readme; (4) methods codes; (5) geospatial information for all RC SFA sites including International Generic Sample Number (IGSN); (6) maps of all sites and sites in Washington State, USA; and (7) a subfolder with the shapefile of all sites. All files are .csv, .pdf, .shp, .cpg, .dbf, .prj, .qmd, or .shx. We thank the Confederated Tribes and Bands of the Yakama Nation for access to field locations where some data were collected in Washington state. 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

Model Data for the Mesh Convergence Study Demonstrating Benefits of Mixed-polyhedral Mesh in Integrated Hydrology Simulations

This archived model data is related to a study introducing a unique method that employs a stream-aligned mixed-polyhedral mesh to effectively and accurately represent river valleys, stream corridors, and narrow engineered channels in integrated hydrology simulations. The study finds that utilizing stream-aligned mixed-polyhedral meshes in integrated hydrology simulations achieves accuracy on par with a finely refined TIN-based mesh while markedly diminishing computational costs. This archive contains scripts and data files needed to generate the ATS model input, including mesh and ATS input files, for all mesh scenarios using the Watershed Workflow package. Additionally, this archive also provides key outputs from the model simulations that are used in the analysis and post-processing scripts to reproduce figures in the manuscript. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data and scripts associated with the manuscript "Organic Molecules are Deterministically Assembled in River Sediments"

This data package is associated with the publication "Organic Molecules are Deterministically Assembled in River Sediments" submitted to Scientific Reports (Stegen et al., 2024). The study applies community ecology methods to dissolved organic matter (DOM) chemistry from variably inundated riverbed sediments to uncover principles governing DOM composition at a reach-scale. This data package documents the workflow used to process and generate the main findings in the manuscript. The R scripts reference the raw, unprocessed Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data from another data package, available on ESS-DIVE at https://data.ess-dive.lbl.gov/view/doi:10.15485/1834208. The scripts then process the raw FTICR-MS data and generate the findings and figures presented in the associated manuscript. In brief, this study demonstrates that DOM assemblages in variably inundated sediments are primarily governed by deterministic variable selection, including sediment moisture effecting the degree of deterministic assembly. See the manuscript for more details pertaining to interpretation and implications of the findings. This data package is associated with the GitHub repository found at https://github.com/WHONDRS-Hub/ECA_2020_Sed.This data package is comprised of 6 scripts and 7 folders. The file-level metadata file (file ending in "flmd.csv") lists all files contained in this data package and descriptions for each. The data dictionary (file ending in "dd.csv) describes all tabular data columns and their respective definitions and units. The FTICR_Processing_Scripts produce the outputs found in the "Processed_Data" folder. The remaining scripts (located in the parent directory) produce the outputs found in the following four folders: (1) "MCD_Dendrograms", "MCD_Randomizations", "MCD_bNTI_Outcomes", and "OM_Null_Modeling". The fifth script additionally takes the three comma-separated values (CSV) files found in the parent directory as input ("VGC_texture.csv", "merged_weights.csv", and "ECA2_FTICR_BetaDisp.csv"). The outputs of each of the five scripts serve as the input to the following script, with the final outputs stored in the folder "OM_Null_Modeling".

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Model data for a watershed-scale study in the Portage River Basin (OH) examining the effects of subsurface drainage on the hydrologic response of an agricultural watershed.

This study builds on Rathore et al. (2024, WRR) and investigates the role of artificial tile-drainage on various aspects of watershed hydrological response, with a particular focus on peakflow. The model-data for the original modeling-focused paper (Rathore et al., 2024, WRR) is archived at Rathore et al. (2024, ESS-DIVE). Hence, this model-data archive provides scripts that are specific to this study that includes model updates, processing and analysis scripts. For details and models files of original model, readers are referred to Rathore et al. (2024, ESS-DIVE). The key difference between the model configuration in this study and Rathore et al. (2024, WRR) is that the tile drains are applied to the entire domain, to study the impact of tile-drains on different aspects of hydrological response. Additional scenario considering intensified precipitation after a dry period was also simulated. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Redox potential in Typha-dominated tidal brackish marsh, PIE LTER, Plum Island Sound, MA, June–December 2022

This dataset includes soil redox potential measurements collected at multiple depths within a tidal brackish wetland in the upper estuary of the Plum Island Ecosystems Long-Term Ecological Research site (PIE LTER), Plum Island Sound, Newbury, Massachusetts. Measurements were taken to evaluate temporal variation in redox potential in relation to hydrological events at three replicate locations. Data were recorded every 5 minutes using a Campbell Scientific Volt116 connected to a CR6 datalogger with SWAP instrument redox probes (ORP-30-4-B) and reference electrodes. Measurements were made at the AmeriFlux site US-PLo at four soil depths (5, 10, 15, and 30 cm). The file redox_soiltemp_2022.csv contains temperature-corrected redox values and soil temperature following Silva-Machado et al. (2024). Metadata files redox_soiltemp_dd.csv and redox_soiltemp_flmd.csv provide detailed descriptions of variables and site locations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Redox potential in Typha-dominated tidal brackish marsh, PIE LTER, Plum Island Sound, MA, 2023

This dataset includes soil redox potential measurements collected at multiple depths within a tidal brackish wetland in the upper estuary of the Plum Island Ecosystems Long-Term Ecological Research site (PIE LTER), Plum Island Sound, Newbury, Massachusetts (MA). Measurements were taken to evaluate temporal variation in redox potential in relation to hydrological events at three replicate locations. Data were recorded every 5 minutes using a Campbell Scientific Volt116 connected to a CR6 datalogger with SWAP instrument redox probes (ORP-30-4-B) and reference electrodes. Measurements were made at the AmeriFlux site US-PLo at four soil depths (5, 10, 15, and 30 cm). The file redox_soiltemp_2023.csv contains temperature-corrected redox values and soil temperature following Silva-Machado et al. (2024). Metadata files redox_soiltemp_dd.csv and redox_soiltemp_2023_flmd.csv provide detailed descriptions of variables and site locations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Upland tidal brackish marsh specific conductivity and salinity measurements, PIE LTER, Plum Island Sound, MA, 2023

This dataset includes raw and corrected specific conductivity, temperature, and calculated salinity measurements collected at 10 cm depth in a Typha angustifolia-dominated tidal brackish wetland at the upper estuary of Plum Island Sound in Newbury, Massachusetts (MA) within the Plum Island Ecosystems Long Term Ecological Research (PIE LTER) site. Measurements were taken to evaluate temporal variation in porewater salinity (a proxy for porewater sulfate concentration) in high frequency to assess soil and plant responses to changes in salinity. Measurements were collected using an Onset HOBO U24-002 Saltwater Conductivity/Salinity data logger deployed in a well. Specific conductivity was corrected using non-linear temperature compensation, and salinity was calculated using the Practical Salinity Scale 1978 via Onset's HOBOware software. Reference conductivity measurements to correct for sensor drift were taken at the start and end of each deployment using a HACH HQ14D Portable Conductivity Meter. Data were then filtered in MATLAB to remove values logged while the sensor was out of the well or during post-deployment equilibration. Detailed metadata, including variable descriptions, sampling methods, QA/QC procedures, and site information, are provided in the files: Typha_ctd_salinity_dd.csv and Typha_MI_ctd_salinity_2023_flmd.csv.

54 ENVIRONMENTAL SCIENCES↗