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NASA NTRS2003

Spatio-Temporal Distribution of Particulate and Dissolved Organic Matter in the Mississippi River Bight From Optical Measurements

The Mississippi River Bight is a highly dynamic region influenced by the seasonally variable outflow from the Mississippi River. In an effort to characterize the distribution of particulate and dissolved organic matter in the region, we conducted a two-year field program in the spring and fall (high and low flow river discharge) of 2000 and 2002. We collected a comprehensive set of bio-optical measurements consisting of vertical profiles (absorption, scattering, chlorophyll fluorescence and radiometry) and discrete measurements (pigment concentrations, particulate and CDOM absorption) that enabled us to obtain better insight into the seasonal and spatial variability of some important biogeochemical parameters. Our field measurements generally showed higher phytoplankton clorophyll concentrations in the plume waters (associated with lower surface salinities) and confirmed the high biological activity abserved in other studies. The seasonal flow of river discharge and advective currents due to wind forcing exerted a strong influence on the biological and optical properties of the region. An examination of absorption at 440 nm by the algal and non-algal fraction of the particulate pool and of CDOM revealed that at nearshore stations, contributions by the non-algal particles were high (about 40%) and decresed with increasing salinities. While CDOM absorption exhibited conservative mixing, its relative contribution to the total absorption was variable. Surface waters at most stations had lower salinities that generalliy increased with dept. Particulate matter and CDOM also decreased with depth as evidenced by absorption and scattering measurements. Good correlations in surface waters between concentrations of particulate and dissolved matter, the inherent optical properties of absorption and ackscattering and remote sensing reflectance values has allowed the development of robust empirical algorithms for phytoplankton chlorophyll and CDOM absorption.

DSa, E. J.↗

NASA NTRS1999

Simple model for the reconstruction of radionuclide concentrations and radiation exposures along the Techa River

The Techa River (Southern Urals, Russia) was contaminated in 1949-1956 by liquid radioactive wastes from the Mayak complex, the first Russian facility for the production of plutonium. The measurements of environmental contamination were started in 1951. A simple model describing radionuclide transport along the free-flowing river and the accumulation of radionuclides by bottom sediments is presented. This model successfully correlates the rates of radionuclide releases as reconstructed by the Mayak experts, hydrological data, and available environmental monitoring data for the early period of contamination (1949-1951). The model was developed to reconstruct doses for people who lived in the riverside communities during the period of the releases and who were chronically exposed to external and internal irradiation. The model fills the data gaps and permits reconstruction of external gamma-exposure rates in air on the river bank and radionuclide concentrations in river water used for drinking and other household needs in 1949-1951.

Non-NASA Center↗

NASA NTRS2005

Simulation of Water Sources and Precipitation Recycling for the MacKenzie, Mississippi and Amazon River Basins

An atmospheric general circulation model simulation for 1948-1997 of the water budgets for the MacKenzie, Mississippi and Amazon River basins is presented. In addition to the water budget, we include passive tracers to identify the geographic sources of water for the basins, and the analysis focuses on the mechanisms contributing to precipitation recycling in each basin. While each basin s precipitation recycling has a strong dependency on evaporation during the mean annual cycle, the interannual variability of the recycling shows important relationships with the atmospheric circulation. The MacKenzie River basin has only a weak interannual dependency on evaporation, where the variations in zonal moisture transport from the Pacific Ocean can affect the basin water cycle. On the other hand, the Mississippi River basin has strong interannual dependencies on evaporation. While the precipitation recycling weakens with increased low level jet intensity, the evaporation variations exert stronger influence in providing water vapor for convective precipitation at the convective cloud base. High precipitation recycling is also found to be partly connected to warm SSTs in the tropical Pacific Ocean. The Amazon River basin evaporation exhibits small interannual variations, so that the interannual variations of precipitation recycling are related to atmospheric moisture transport from the tropical south Atlantic Ocean. Increasing SSTs over the 50-year period are causing increased easterly transport across the basin. As moisture transport increases, the Amazon precipitation recycling decreases (without real time varying vegetation changes). In addition, precipitation recycling from a bulk diagnostic method is compared to the passive tracer method used in the analysis. While the mean values are different, the interannual variations are comparable between each method. The methods also exhibit similar relationships to the terms of the basin scale water budgets.

Bosilovich, Michael G.↗

NASA NTRS2011

An Integrated Hydrological and Water Management Study of the Entire Nile River System - Lake Victoria to Nile Delta

The Nile basin River system spans 3 million km(exp 2) distributed over ten nations. The eight upstream riparian nations, Ethiopia, Eretria, Uganda, Rwanda, Burundi, Congo, Tanzania and Kenya are the source of approximately 86% of the water inputs to the Nile, while the two downstream riparian countries Sudan and Egypt, presently rely on the river's flow for most of the their needs. Both climate and agriculture contribute to the complicated nature of Nile River management: precipitation in the headwaters regions of Ethiopia and Lake Victoria is variable on a seasonal and inter-annual basis, while demand for irrigation water in the arid downstream region is consistently high. The Nile is, perhaps, one of the most difficult trans-boundary water issue in the world, and this study would be the first initiative to combine NASA satellite observations with the hydrologic models study the overall water balance in a to comprehensive manner. The cornerstone application of NASA's Earth Science Research Results under this project are the NASA Land Data Assimilation System (LDAS) and the USDA Atmosphere-land Exchange Inverse (ALEXI) model. These two complementary research results are methodologically independent methods for using NASA observations to support water resource analysis in data poor regions. Where an LDAS uses multiple sources of satellite data to inform prognostic simulations of hydrological process, ALEXI diagnoses evapotranspiration and water stress on the basis of thermal infrared satellite imagery. Specifically, this work integrates NASA Land Data Assimilation systems into the water management decision support systems that member countries of the Nile Basin Initiative (NBI) and Regional Center for Mapping of Resources for Development (RCMRD, located in Nairobi, Kenya) use in water resource analysis, agricultural planning, and acute drought response to support sustainable development of Nile Basin water resources. The project is motivated by the recognition that accurate, frequent, and spatially distributed estimates of the water balance are necessary for effective water management. This creates a challenge for watersheds that are large, include data poor regions, and/or span multiple nations. All of these descriptors apply to the Nile River basin, yet successful management of the Nile is critical for development and political stability in the region. For this reason, improved hydrological data to support cooperative water management in the Nile basin is a priority for USAID, the US State Department, the World Bank and other international organizations. In this project, the U.S. based research team is working with partners at RCMRD, Nile Basin Initiative (NBI), and their member national-level agencies to develop satellite-based land cover maps, satellite-derived evapotranspiration estimates (using the ALEXI algorithm), and NASA's Land Data Assimilation System (LDAS) customized to match identified information needs. The cornerstone applied sciences product of the project is the development of a customized "Nile LDAS" that will produce optimal estimates of hydrological states and fluxes, as vetted against the in situ observations of NBI and RCMRD member organizations and independent satellite-derived hydrological estimates. Nile LDAS will be applied to improve the reliability of emerging Decision Support Systems in applications that include drought monitoring, reservoir management, and irrigation planning. The end-users such as RCMRD, NBI, Ethiopian and Kenya Meteorological and Famine Early Warning System Network (FEWSNet) will be the eventual benefactors of this work. There will be a capacity building process involving the above end-user organizations and transfer the models and the results for these organizations to execute for future use. The team has already initiated this study and the early results of first years' work are shown. The plan is to complete this work by late 2013.

Habib, Shahid↗

NASA NTRS2013

Spatially Resolving Ocean Color and Sediment Dispersion in River Plumes, Coastal Systems, and Continental Shelf Waters

Satellite remote sensing of ocean color in dynamic coastal, inland, and nearshorewaters is impeded by high variability in optical constituents, demands specialized atmospheric correction, and is limited by instrument sensitivity. To accurately detect dispersion of bio-optical properties, remote sensors require ample signal-to-noise ratio (SNR) to sense small variations in ocean color without saturating over bright pixels, an atmospheric correction that can accommodate significantwater-leaving radiance in the near infrared (NIR), and spatial and temporal resolution that coincides with the scales of variability in the environment. Several current and historic space-borne sensors have met these requirements with success in the open ocean, but are not optimized for highly red-reflective and heterogeneous waters such as those found near river outflows or in the presence of sediment resuspension. Here we apply analytical approaches for determining optimal spatial resolution, dominant spatial scales of variability ("patches"), and proportions of patch variability that can be resolved from four river plumes around the world between 2008 and 2011. An offshore region in the Sargasso Sea is analyzed for comparison. A method is presented for processing Moderate Resolution Imaging Spectroradiometer (MODIS) Aqua and Terra imagery including cloud detection, stray lightmasking, faulty detector avoidance, and dynamic aerosol correction using short-wave- and near-infrared wavebands in extremely turbid regions which pose distinct optical and technical challenges. Results showthat a pixel size of approx. 520 mor smaller is generally required to resolve spatial heterogeneity in ocean color and total suspended materials in river plumes. Optimal pixel size increases with distance from shore to approx. 630 m in nearshore regions, approx 750 m on the continental shelf, and approx. 1350 m in the open ocean. Greater than 90% of the optical variability within plume regions is resolvable with 500 m resolution, and small, but significant, differences were found between peak and nadir river flow periods in terms of optimal resolution and resolvable proportion of variability.

MODIS↗

NASA NTRS2017

Antarctic Ice Shelf Potentially Stabilized by Export of Meltwater in Surface River

Meltwater stored in ponds and crevasses can weaken and fracture ice shelves, triggering their rapid disintegration. This ice-shelf collapse results in an increased flux of ice from adjacent glaciers and ice streams, thereby raising sea level globally. However, surface rivers forming on ice shelves could potentially export stored meltwater and prevent its destructive effects. Here we present evidence for persistent active drainage networks-interconnected streams, ponds and rivers-on the Nansen Ice Shelf in Antarctica that export a large fraction of the ice shelf's meltwater into the ocean. We find that active drainage has exported water off the ice surface through waterfalls and dolines for more than a century. The surface river terminates in a 130-metre-wide waterfall that can export the entire annual surface melt over the course of seven days. During warmer melt seasons, these drainage networks adapt to changing environmental conditions by remaining active for longer and exporting more water. Similar networks are present on the ice shelf in front of Petermann Glacier, Greenland, but other systems, such as on the Larsen C and Amery Ice Shelves, retain surface water at present. The underlying reasons for export versus retention remain unclear. Nonetheless our results suggest that, in a future warming climate, surface rivers could export melt off the large ice shelves surrounding Antarctica-contrary to present Antarctic ice-sheet models, which assume that meltwater is stored on the ice surface where it triggers ice-shelf disintegration.

Bell, Robin E.↗

NASA NTRS2018

A Comparative Study of Available Water in the Major River Basins of the World

Numerous large river basins of the world have few and irregular observations of the components of the terrestrial hydrological cycle with the exception of stream gauges at a few locations and at the outlet along with sparsely distributed rain gauges. Using observations from satellite sensors and output from global land surface models, it is possible to study these under-observed river basins. With populations greater than a billion people, some of these rivers (e.g., the Ganga-Brahmaputra, the Yangtze, the Nile and the Mekong) are the economic engines of the countries they transect, yet thorough assessment of their flow dynamics and variability in regard to water resource management is still lacking. In this paper, we use soil moisture (0-2m) and surface runoff from the NASA Global Land Data Assimilation System (GLDAS), evapotranspiration, and Normalized Difference Vegetation Index (NDVI) from the Moderate Resolution Imaging Spectroradiometer (MODIS) and rainfall from the Tropical Rainfall Measuring Mission (TRMM) and total water storage anomaly from the Gravity Recovery and Climate Experiment (GRACE) to examine variability of individual water balance components. To this end, understanding the inter-annual and intra-seasonal variability and the spatial variability of the water balance components in the major river basins of the world will help to plan for improved management of water resources for the future.

GLDAS↗

NASA NTRS2020

Montana Water Resources: Developing a Composite Moisture Index Utilizing NASA Earth Observations for Drought Monitoring in the Missouri River Basin

The Missouri River Basin provides irrigation water for a substantial part of the domestic agricultural sector within the United States. Drought events pose a significant threat to the economic livelihoods of dependent individuals, industries, and ecosystems (e.g. farmers, local tribes, hydroelectric power, wildlife). In 2017 alone, the Missouri River Basin experienced a severe drought that resulted in a $2.6 billion loss to the U.S. Northern Plains. In response to such events, organizations throughout the basin, such as the Montana Climate Office, have dedicated efforts for drought monitoring and communicating relevant information to local stakeholders. In an effort to aid regional decision-making capabilities, the project team partnered with the Montana Climate Office, NOAA National Weather Service (NWS) Missouri Basin River Forecast Center, and NOAA Regional Climate Services, Central Region to create a monthly Composite Moisture Index (CMI) that relies on NASA Earth observations from the Terra Moderate Resolution Imaging Spectroradiometer (MODIS) and the Soil Moisture Active Passive (SMAP) mission. From these satellites, as well as the NOAA NWS National Operational Hydrologic Remote Sensing Center’s Snow Data Assimilation System (SNODAS), our team aggregated climate datasets including soil moisture, snow cover, snow depth, and snow water equivalent to compute a CMI that indicates regional moisture conditions during the winter months. The March CMI values produced over the Missouri River headwater subbasin strongly correlate (r = 0.75) with spring and early summer stream discharge, demonstrating the use of this metric to indicate moisture conditions for the snowmelt and growing seasons.

DEVELOP Project Summary↗

NASA NTRS2021

Montana Water Resources: Developing a Composite Moisture Index Utilizing NASA Earth Observations for Drought Monitoring in Montana and the Missouri River Basin

The Missouri River Basin provides irrigation water for a substantial part of the domestic agricultural sector within the United States. Drought events pose a significant threat to economic livelihoods of dependent individuals, industries, and ecosystems (e.g., farmers, local tribes, hydroelectric power, wildlife). In 2017 alone, the Missouri River Basin experienced a severe drought that resulted in a $2.6 billion loss to the U.S. Northern Plains. In response to such events, organizations throughout the basin, such as the Montana Climate Office, have dedicated efforts for drought monitoring and communicating relevant information to local stakeholders. In an effort to aid regional decision-making capabilities, the project team partnered with the Montana Climate Office, NOAA National Weather Service (NWS) Missouri Basin River Forecast Center, and NOAA Regional Climate Services, Central Region to create a monthly Composite Moisture Index (CMI) that relies on NASA Earth observations from the Terra Moderate Resolution Imaging Spectroradiometer (MODIS) and the Soil Moisture Active Passive (SMAP) mission. From these satellites, as well as the NOAA NWS National Operational Hydrologic Remote Sensing Center Snow Data Assimilation System (SNODAS), our team aggregated climate datasets including soil moisture, snow cover, snow depth, and snow water equivalent to compute a CMI that indicates regional moisture conditions during the winter months. The March CMI values produced over the Missouri River headwater subbasin strongly correlate (r = 0.75) with spring and early summer stream discharge, demonstrating the use of this metric to indicate moisture conditions for the snowmelt and growing seasons.

DEVELOP Tech Paper↗

NASA NTRS2020

Underlying Fundamentals of Kalman Filtering for River Network Modeling

The grand challenge of producing hydrometeorological estimates every time and everywhere has motivated the fusion of sparse observations with dense numerical models, with a particular interest on discharge in river modeling. Ensemble methods are largely preferred as they enable the estimation of error properties, but at the expense of computational load and generally with underestimations. These imperfect stochastic estimates motivate the use of correction methods, that is, error localization and inflation, although the physical justifications for their optimality are limited. The purpose of this study is to use one of the simplest forms of data assimilation when applied to river modeling and reveal the underlying mechanisms impacting its performance. Our framework based on assimilating daily averaged in situ discharge measurements to correct daily averaged runoff was tested over a 4-yr case study of two rivers in Texas. Results show that under optimal conditions of inflation and localization, discharge simulations are consistently improved such that the mean values of Nash–Sutcliffe efficiency are enhanced from211.32 to 0.55 at observed gauges and from212.24 to21.10 at validation gauges. Yet, parameters controlling the inflation and the localization have a large impact on the performance. Further investigations of these sensitivities showed that optimal inflation occurs when compensating exactly for discrepancies in the magnitude of errors while optimal localization matches the distance traveled during one assimilation window. These results may be applicable to more advanced data assimilation methods as well as for larger applications motivated by upcoming river-observing satellite missions, such as NASA’s Surface Water and Ocean Topography mission.

Streamflow↗

NASA NTRS2021

Western Montana Ecological Forecasting: Modeling Habitat Suitability of Mustelid Species to Guide Detection Dog Surveys for Contaminants Monitoring, via Collected Scats in River Systems of Western Montana

Environmental contaminants are becoming increasingly prevalent in riverine ecosystems. The status of contaminants in western Montana’s relatively pristine river systems is largely unknown. Monitoring for heavy metals, brominated flame-retardants (BFRs), and pharmaceuticals is important due to their negative effects on ecosystems. Exposure to these contaminants can have significant endocrine, neurological, and reproductive effects. Contaminants easily travel up the food chain and bioaccumulate in apex predators. As predators with a largely aquatic diet, American mink (Mustela vison) and North American river otter (Lontra canadensis) serve as reliable indicator species of environmental health and the status of contaminants. Analysis of scat from these species is a noninvasive method to measure contaminant levels, and detection dogs from Working Dogs for Conservation (WD4C) have been used to locate these scat samples. To aid in the search of these samples, habitat suitability models were created for mink and otter for the years 2013-2020 and projected to 2040 using the random forest algorithm in the Software for Assisted Habitat Modeling (SAHM). Predictor variable data were acquired from Landsat 8 Operational Land Imager (OLI), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), Global Precipitation Measurement Integrated Multi-satellite Retrievals for GPM (GPM IMERG), Shuttle Radar Topography Mission (SRTM), and Soil Moisture Active Passive (SMAP). Within these models, the most important variable for mink and otter habitat was distance to river. Suitable habitat also corresponded with emergent herbaceous land cover and deeper river locations. These habitat suitability models will inform sampling site section for further contaminant analysis.

Anna Winter↗

DOE OSTI2022

Spatial Microbial Respiration Variations in the Hyporheic Zones Within the Columbia River Basin

Abstract While the hyporheic zone (HZ) accounts for a significant portion of whole stream CO 2 concentrations, HZ respiration modeling studies are lacking in quantifying their contributions to the total CO 2 at large watershed/basin scales. Quantifying the contribution of anaerobic respiration is also underappreciated. This study used a carbon‐nitrogen‐coupled river corridor model to quantify HZ aerobic and anaerobic respiration and determined the key factors controlling their spatial variability within the Columbia River Basin (CRB). The modeled respiration patterns showed high spatial variability. Among the nine sub‐basins composing the CRB, the Lower Columbia and the Willamette, which receive higher precipitation, had higher respiration. Medium‐sized rivers (fourth to sixth orders) produced the highest aerobic and anaerobic respiration among reaches of different sizes. At the basin scale, aerobic respiration is dominant, representing approximately 98.7% of the total respiration across the CRB. While most of the reaches were dominant with aerobic respiration, reaches in agricultural land showed a relatively higher anaerobic respiration (18%) ratio. A variable importance analysis showed that hyporheic exchange flux controlled most of the spatial variability of HZ respiration, dominating over other physical variables such as residence time, stream dissolved organic carbon (DOC), nitrate, and dissolved oxygen (DO). The influence of substrate concentration (DOC and DO) is larger in modeling anaerobic respiration than aerobic respiration. Future efforts will focus on improving the estimation of the HZ exchange flux and the implementation of spatially explicit parameterizations for the reactions of interest to reduce model uncertainty.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Future Atmospheric Rivers and Impacts on Precipitation: Overview of the ARTMIP Tier 2 High–Resolution Global Warming Experiment

Atmospheric rivers (ARs) are long, narrow synoptic scale weather features important for Earth’s hydrological cycle typically transporting water vapor poleward, delivering precipitation important for local climates. Understanding ARs in a warming climate is problematic because the AR response to climate change is tied to how the feature is defined. The Atmospheric River Tracking Method Intercomparison Project (ARTMIP) provides insights into this problem by comparing 16 atmospheric river detection tools (ARDTs) to a common data set consisting of high resolution climate change simulations from a global atmospheric general circulation model. ARDTs mostly show increases in frequency and intensity, but the scale of the response is largely dependent on algorithmic criteria. Across ARDTs, bulk characteristics suggest intensity and spatial footprint are inversely correlated, and most focus regions experience increases in precipitation volume coming from extreme ARs. The spread of the AR precipitation response under climate change is large and dependent on ARDT selection.

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

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

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 OSTI2024

Models, data, and scripts associated with “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning”

This data package is associated with the publication “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning’’ submitted to the Journal of Geophysical Research: Machine Learning and Computation (Scheibe et al. 2024). River sediment respiration observations are expensive and labor intensive to obtain and there is no physical model for predicting this quantity. The Worldwide Hydrobiogeochemisty Observation Network for Dynamic River Systems (WHONDRS) observational data set (Goldman et al.; 2020) is used to train machine learning (ML) models to predict respiration rates at unsampled sites. This repository archives training data, ML models, predictions, and model evaluation results for the purposes of reproducibility of the results in the associated manuscript and community reuse of the ML models trained in this project. One of the key challenges in this work was to find an optimum configuration for machine learning models to work with this feature-rich (i.e. 100+ possible input variables) data set. Here, we used a two-tiered approach to managing the analysis of this complex data set: 1) a stacked ensemble of ML models that can automatically optimize hyperparameters to accelerate the process of model selection and tuning and 2) feature permutation importance to iteratively select the most important features (i.e. inputs) to the ML models. The major elements of this ML workflow are modular, portable, open, and cloud-based, thus making this implementation a potential template for other applications. This data package is associated with the GitHub repository found at Please see the file level metadata (flmd; “sl-archive-whondrs_flmd.csv”) for a list of all files contained in this data package and descriptions for each. Please see the data dictionary (dd; “sl-archive-whondrs_dd.csv”) for a list of all column headers contained within comma separated value (csv) files in this data package and descriptions for each. The GitHub repository is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning models trained on the data in “input_data”; (3) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; (4) “examples” contains the visualization of the results in this repository including plotting scripts for the manuscript (e.g., model evaluation, FPI results) and scripts for running predictions with the ML models (i.e., reusing the trained ML models); (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. Furthermore, depending on the number of features used to train the ML models, the preprocessing and postprocessing scripts, and their intermediate results, can also be different branch-to-branch. The “main-*” branches are meant to be starting points (i.e. trunks) for each model branch (i.e. sprouts). Please see the Branch Navigation section in the top-level README.md in the GitHub repository for more details. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please the top-level README.md in the GitHub repository for more details on the automation.

13C↗

DOE OSTI2024

Data and scripts associated with a manuscript investigating dissolved organic matter and microbial community linkages across seven globally distributed rivers

This data package is associated with the publication “Meta-metabolome ecology reveals that geochemistry and microbial functional potential are linked to organic matter development across seven rivers” submitted to Science of the Total Environment. This data package includes the data necessary to replicate the analyses presented within the manuscript to investigate dissolved organic matter (DOM) development across broad spatial distances and within divergent biomes. Specifically, we included the Fourier transform ion cyclotron mass spectrometry (FTICR-MS) data, geochemistry data, annotated metagenomic data, and results from ecological null modeling analyses in this data package. Additionally, we included the scripts necessary to generate the figures from the manuscript. Complete metagenomic data associated with this data package can be found at the National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. This dataset consists of (1) four folders; (2) a file-level metadata (flmd) file; (3) a data dictionary (dd) file; (4) a factor sheet describing samples; and (5) a readme. The FTICR Data folder contains (1) the processed Fourier transform ion cyclotron mass spectrometry (FTICR-MS) data; (2) a transformation-weighted characteristics dendrogram generated from the FTICR-MS data; and (3) the script used to generate all FTICR-MS related figures. The Geochemical Data folder contains (1) the single geochemistry data file and (2) the R script responsible for generating associated figures. The Metagenomic Data folder contains (1) annotation information across different levels; (2) carbohydrate active enzyme (CAZyme) information from the dbCAN database (Yin et al., 2012); (3) phylogenetic tree data (FASTAs, alignments, and tree file); and (4) the scripts necessary to analyze all of these data and generate figures. The Null Modeling Data folder contains (1) data generated during null modeling for each river and all rivers combined and (2) the R scripts necessary to process the data. All files are .csv, .pdf, .tsv, .tre, .faa, .afa, .tree, or .R.

54 ENVIRONMENTAL SCIENCES↗