Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “dictionaries”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Data and scripts associated with "Coupled primary production and respiration in a large river contrasts with smaller rivers and streams."

This data package is associated with the publication "Coupled primary production and respiration in a large river contrasts with smaller rivers and streams." in review at Limnology and Oceanography (Roley et al. 2023). This study focuses on understanding ecosystem metabolism for the Hanford Reach of the Columbia River in Washington state, a free-flowing stretch with a substantial discharge. Large rivers have been overlooked compared to small and medium rivers due to the challenges associated with measurements. Our study presents novel ways to address these challenges and highlights that metabolism patterns in large rivers differ from those observed in small-medium rivers and requires the application of knowledge and tools beyond those implemented for smaller rivers.This data package includes the data and R scripts for the analyses described in Roley et al. 2023. It includes dissolved oxygen and temperature data from a dissolved oxygen HOBO sensor, light data collected from the National Solar Radiation Database (https://nsrdb.nrel.gov/) and hydrologic variables estimated from the MASS-1 model (Niehus et al.; 2014). It also includes metabolism estimates (gross primary production, ecosystem respiration, and net ecosystem production) estimated via streamMetabolizer (Appling et al.; 2018). All analyses in the paper can be replicated with these data and scripts.The data package is comprised of one main data folder. The folder includes (1) file-level metadata (flmd); (2) a data dictionary (dd) for each data file; (3) data files; and (4) R scripts for metabolism estimates and data analysis. All files are .R, .csv, or .pdf.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Spatial Study 2022: Water Column, Sediment, and Total Ecosystem Respiration Rates across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin and is associated with the manuscript “Sediment-associated processes account for most of the spatial variation in ecosystem respiration in the Yakima River basin” submitted to Nature Communications Earth & Environment (Garayburu-Caruso et al., in review). The dataset provides ecosystem metabolism estimates generated from streamMetabolizer (Appling et al.; 2018) using data collected during the same five-week period at 48 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Additionally, it includes the scripts used for the analysis and producing the figures in the manuscript. The contents include streamMetabolizer inputs and outputs and additional relevant data needed to generate the main manuscript results. The data included are: total ecosystem respiration, water respiration, calculated sediment-associated respiration, gross primary production outputs from the river corridor model for the Yakima River Basin, median grain size (d50), depth, dissolved oxygen, water temperature, pressure, and annual oxygen consumption. The associated GitHub repository can be found at https://github.com/river-corridors-sfa/SSS_metabolism. Samples collected during this study were labeled as “Second Spatial Study” or “SSS.” Raw time series sensor data, total suspended solids, and depth data from SSS were published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1969566. A subset of data from the SSS samples were published in the contiguous United States (CONUS)-Scale Model-Sample (CM) study data package available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689 that presents data from across the CONUS. They include dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), total nitrogen (TN), grain size, aerobic sediment respiration, dissolved oxygen (DO), and temperature. Parent IDs and Site IDs are consistent between the SSS and CM data packages, and they can be mapped directly so data across packages can be used together. Field metadata for the samples in this da This dataset is comprised of one main data folder with four subfolders. The main data folder contains of (1) file-level metadata; (2) data dictionary; (3) total/water column/sediment respiration; (4) gross primary production (GPP); (5) median grain size (d50); and (6) annual oxygen consumption. The “Figures” subfolder contains the figures used in the paper and all intermediate files (including geospatial files). The “Published_Data” contains a readme directing the user to download the public data to reproduce analyses and figures. The “Scripts” folder contains all scripts used in the analyses that were not part of running StreamMetabolizer. Lastly, the “Stream_Metabolizer” folder contains all files associated with running StreamMetabolizer including (1) model input files, (2) model output files, (3) processing scripts, (4) histogram plots of the outputs, and (5) an R project. All files are .csv, .pdf, .R, .Rmd, .Rproj, .html, .png, .txt, .qgz, .cpg, .dbf, .prj, .shp, .shp.ea.iso.xml, .shp.iso.xml, .shx, .sbn. ta package can be found at either link. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these 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 OSTI2023

Meteorological and hydrological parameters for 17 locations of meteorological stations of the East River Watershed

The Data Package includes a set of csv files of input meteorological parameters for locations of 17 meteorological stations within the East River watershed. These meteorological datasets were downloaded from the (1) PRISM database--monthly precipitation, air temperature (minimum, mean, and maximum), vapor pressure deficit (minimum and maximum), and dewpoint temperature, and (2) NCEP/NCAR Reanalysis database – wind database. The datasets were used for calculations of the Potential Evapotranspiration (ETo), Actual Evapotranspiration (ET), Standard Precipitation Index (SPI) , Standard Evapotranspiration-Precipitation Index (SPEI) for the period from 1966 to 2021. The main research questions addressed are: the evaluation of the long-term temporal trends of climatic parameters, hierarchical clustering, and areal mapping/zonation of the East River watershed. Calculations were conducted in the Rstudio environment. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.The input datasets were downloaded from (a) PRISM database (the Northwest Alliance for Computational Science and Engineering at the Oregon State University), and (b) NCEP/NCAR Reanalysis database.

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↗
DOE OSTI2023

Groundwater and Surface Water Flow (GSFLOW) model files for the East River, Colorado

The data package contains model input files and executables for the East River, Colorado (750 km2) located in the headwaters of the Upper Colorado River Basin. The code applied is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution to represent topographic complexity and a daily timestep accounts for energy and water partitioning between the snowpack, vegetation, soil zone and bedrock. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model accounts for nine stratigraphic units and extends 400 m below land surface. Using this modeling framework we explore historical water budgets (water year 1987-2022) and the influence of seasonal warming and associated mechanisms driving groundwater declines and streamflow loss. A Readme_062424.txt file provides instructions on how to download all files. Input and output files are provided for the historical simulation representative of water years 1987 to 2022 (i.e. baseline) and the all-year +4C warming scenario. Instructions are provided to run the seasonal warming scenarios with warming applied only to the autumn, winter, spring or summer months. Modeled output used in figures for Carroll et al., 2024 are also provided with metadata describing where these data were obtained. This dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.Updated on 06-24-2024: The dataset was updated to include model outputs (updated base.zip and 4C.zip files), figure source files (Figure_Source_Files.zip), an updated Readme file (Readme_062424.txt), climate input files (climate_input_files.zip), and the adoption of ESS-DIVE File Level Metadata and CSV reporting formats (inclusion of flmd.csv and dd.csv files).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

2016 Floodplain Geochemistry from the East River Watershed, Colorado

This dataset includes groundwater geochemistry data from floodplain piezometers collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of hyporheic exchange and other river corridor processes on riverine export of solutes. Floodplain piezometers installed in several meanders (Meander C, Meander D, and Meander O) in the vicinity of the Pumphouse were sampled at several dates in 2016. Data includes in-field measurements (pH, electrical conductivity, oxidation reduction potential, dissolved oxygen, dissolved Fe(II), dissolved sulfide, and groundwater level) along with laboratory measurements (dissolved inorganic carbon, dissolved organic carbon, metals and major cations). Five files are included in this dataset, including: sample locations and depths in a csv file (metadata.csv), aqueous geochemistry data in a csv file, analytical detection limits in a csv file, a file-level metadata (flmd.csv) file, and a data dictionary (dd.csv) file. Data that was below the detection limit is reported as one half of the detection limit and missing data is listed as "-9999".

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Data and scripts associated with the manuscript evaluating the hydrologic responses of the Pacific Northwest watersheds to wildfires (v2)

This data package is associated with the publication “Evaluating Post-fire Watershed Response to Varying Burn Severity and Precipitation Regimes Using Fully-distributed and Integrated Hydrologic Models” submitted to Journal of Hydrology (Li et al. 2025). In this study, we employed the Advanced Terrestrial Simulator (ATS), an integrated watershed model that couples surface flow, subsurface flow, and canopy biophysical processes, to investigate post-fire hydrologic responses in a few selected watersheds with varying burn severity.The data package contains the required input data (meteorological forcing, Leaf Area Index, wildfire burn severities, etc.) to run the model, configuration files, the Jupyter notebooks in Python to pre-process and post-process data, the figures in the manuscript, and the modeling output files. The variables include watershed-averaged evapotranspiration, watershed-averaged surface/subsurface/canopy water content, and river discharge at watershed outlet.The data package contains a file-level metadata that lists and describes all the files contained in the data package (ATS_flmd.csv), a data dictionary file that defines columns headers across all csv files contained in the data package (ATS_dd.csv), a data package level readme file (the current file), and four zipped folders.The ‘data’ folder provides data needed to run the model in .h5, .i2s, .xyz, .shp, and .exo formats. The sub-folders are for each data types. The ‘model’ folder provides input files (.xml format) and essential model outputs. Each sub-folder provides the files from each simulated watershed. The ‘notebooks’ folder provides the Jupyter notebooks (.ipynb format) for pre- and post- processing model files, and for producing the figures in the manuscript. The ‘figures’ folder provides the figures associated with manuscript in .pdf and .png formats.The ‘model’ folder and the ‘data’ folder have been split into 5GB-large pieces using the Linux command ‘split -b 5120m model.zip model.zip.’ and ‘split -b 5120m data.zip data.zip.’, respectively. They can be merged back using the Linux command ‘cat model.zip.* > model.zip’ and ‘cat data.zip.* > data.zip’, respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Riverbed and Near-Surface Water Quality Data, Hanford Reach, Columbia River, February 2021 - April 2022

This dataset contains longitudinal profiles of natural groundwater tracers (temperature, electrical conductivity (EC), and Radon-222 (Rn)) collected to identify locations of hydrologic exchange flows along a 75-km reach of the Columbia River near Richland, Washington.A jetboat was used to tow a 30 foot long, weighted tether that had one set of temperature and EC sensors just below the water surface and one set of temperature and EC sensors on the end (just above the river bed). The dataset contains profiles of temperature/EC data (resolution: 1 second) collected along the left and right banks during three different sampling events. During the final sampling event, we revisited some "deep holes" where the river was more than 30 feet deep with a weighted tether that was 75 feet long. The dataset has been processed to remove data collected when the sensors were not in the water, or when the water was too deep to keep the tether on the riverbed. We collected grab samples of water for analysis of dissolved Rn in places where the temperature/EC was different from the background river water. The Rn data was joined to the temperature/EC profiles based on the sample times.This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) installation methods; (4) February 2021 data; (5) July 2021 data; (6) April 2022 data; and (7) April 2022 deep hole data. All files are .csv format and can be opened with a spreadsheet program (such as Microsoft Excel or OpenOffice).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Schneider Springs Fire Study 2023 for Ecosystem Respiration Rates: Surface Water Chemistry and Hydrologic Sensor Data across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in wildfire impacts across the Yakima River Basin. Data provided within this dataset were generated from sample collection across 17 total sites (8 sites affected by a recent wildfire, 9 sites unaffected by a recent wildfire) within multiple rivers throughout the Yakima River Basin in Washington, USA from May-July 2023. Fire affected sites are defined as those affected by the 2021 Schneider Springs Fire, based on the drainage area of the streams being within the 2021 Schneider Springs Fire burn perimeter or not (Figure 1, below). The contents include surface water geochemistry data (dissolved organic carbon; total dissolved nitrogen; total suspended solids); short-term sonde data (specific conductivity; turbidity; pH; chlorophyll A; temperature); stream depth data; stream velocity; manual chamber open channel respiration data; sensor time-series data (oxygen; water pressure; barometric pressure); field metadata (including qualitative information on in stream and river corridor characteristics); and environmental context photos taken in the field. The dataset also includes a summary file of the sensor data and plots of the sensor data. Sensors were only recovered at 15 out of the 17 sites, and not all sensors were recovered at all 15 sites (see Methods section for more details), therefore all data does not exist at all sites. Data from a 2022 study at the same sites, as well as additional sites, can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566. The data package was originally published in November 2023. 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 folder with field photos and one main data folder with two subfolders. The main data folder consists of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) field protocol; (5) readme; (6) international generic sample number (IGSN) mapping file; and (7) stream depth and averages. The sensor data subfolder consists of (1) sensor installation methods summary; (2) stream velocity; and (3) six subfolders. The BarotrollAtm (barometric pressure; temperature), DepthHOBO (water pressure; temperature), MantaRiver (specific conductivity; turbidity; pH; chlorophyll A; temperature), EXO (specific conductivity; pH; temperature), miniDOT (dissolved oxygen; temperature), and miniDOTManualChamber (dissolved oxygen; temperature) contain time-series data, plots, and summary files. The sample data subfolder consists of (1) total suspended solids (TSS) data; (2) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (3) total dissolved nitrogen (TN) data and averages; and (4) methods codes. All files are .csv, .pdf, .jpg, .jpeg, or .mov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Scripts and data associated with a manuscript linking soil and sediment elemental composition with dissolved organic matter chemistry across CONUS

This data package provides scripts and geochemical data for a manuscript titled “Linkages between mineral element composition of soils and sediments with hyporheic zone dissolved organic matter chemistry across the contiguous United States” (preprint: doi: 10.22541/essoar.169447343.31694990/v1). This data is associated with the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS, https://whondrs.pnnl.gov) and is an extension of the Summer 2019 Sampling campaign which crowdsourced samples from rivers and sediment across the continental United States. Data from this study can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1603775 and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1729719. The main objective of this manuscript was to couple sediment water extractable dissolved organic matter chemistry, defined by ultra-high resolution mass spectrometry, with localized sediment elemental composition and watershed scale soil elemental characteristics. This data package contains one main folder with four subfolders. The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) an R markdown to reproduce manuscript figures and analyses; (5) a pdf of instructions to reproduce NGS interpolations with ArcGIS software; and (6) a python script to reproduce NGS extrapolations with python. The four subfolders contain files required to reproduce NGS extrapolations include (1) ‘CONUS_boundaries’ containing boundary layers (.shp) for the Continental United States; (2) ‘ngs_project’ containing files (.shp) with point level NGS soil elemental data (Grossman et al., 2004); (3) ‘raster_outputs’ containing the interpolated raster output files for various soil elements; and (4) ‘NGS_Chemistry_Final’ contain final extracted soil elemental data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data and Scripts associated with “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling.”

This data package is associated with the publication “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling” submitted to Geoscientific Model Development (Muller et al., 2024). In this manuscript, organic matter chemistry and thermodynamics are directly connected to reactive transport simulators through the newly developed Lambda-PFLOTRAN (Parallel Reactive Flow and Transport model) workflow tool that succinctly incorporates organic matter chemistry data generated from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) into reaction networks to simulate aerobic respiration of the organic matter and the resulting biogeochemistry. Lambda-PFLOTRAN is a python-based workflow, executed through a Jupyter Notebook interface, that digests raw FTICR-MS data, develops a representative reaction network based on substrate-explicit thermodynamic modeling (also termed lambda modeling due to its key thermodynamic parameter λ used therein), and completes a biogeochemical simulation with the open source, reactive flow, and transport code PFLOTRAN. This data package contains Jupyter Notebook based workflows for two test cases for running biogeochemical simulations of organic matter oxidation identified by FTICR-MS. It contains four primary folders (workflow, data, src, and analysis), a file-level metadata file (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_flmd.csv) that lists all the files contained in this data package with a short description of each, and a data dictionary (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_dd.csv) file that describes the tabular column headers. The ‘workflow’ folder contains the Jupyter Notebook based workflows for running the lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘data’ folder contains the FTICR-MS data, initial conditions, and incubation data for test cases 1 and 2 in folders titled ‘WHONDRS’ and ‘Colloids’, respectively. The data folder also has a ‘Database’ folder containing a reaction network for bulk organic matter (assumed to be CH2O) and a general database for PFLOTRAN (hanford_rxn_network). The CH2O reaction network defines bulk organic matter oxidation. Biogeochemical simulations are completed for both the lambda binned organic matter and bulk organic matter reaction networks. The ‘hanford_rxn_network’ database includes information required for PFLTORAN simulations including ion size, molar mass, and charge of the aqueous species, gases, and minerals phases. The ‘src’ folder contains python source codes for performing lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘analysis’ folder contains outputs from the test cases 1 and 2 including lambda analysis, PFLOTRAN runs and the calibration results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data and Scripts Associated with the Manuscript “Water Column Respiration in the Yakima River Basin is Explained by Temperature, Nutrients and Suspended Solids”

This data package is associated with the publication “Water Column Respiration in the Yakima River Basin is Explained by Temperature, Nutrients and Suspended Solids” published in EGU Biogeochemistry (Laan et al. 2025). In this research, water column respiration (ERwc) data, surface water chemistry data, organic matter (OM) chemistry data, and publicly available geospatial data were used in analysis to evaluate the variability in ERwc at 47 sites across the Yakima River basin in Washington, USA. 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. The data package includes the data inputs, and outputs, and R scripts to reproduce all the analyses performed in the manuscript and create manuscript figures. The data package is comprised of three main folders (Code, Data, and Figures). The Code folder is comprised of four scripts and three analysis-specific subfolders that contain the R scripts to perform the analyses described in the publication and create publication figures. The Data folder is comprised of two “.csv” files and four subfolders that contain data input and output files. The Published_Data folder contains a readme that directs the user to download the appropriate files and add to this folder when using scripts. The Figures folder includes figures from the manuscript in “.pdf” and “.png” formats and a folder with intermediate figure files. This data package is associated with a GitHub repository which can be found at https://github.com/river-corridors-sfa/rcsfa-RC2-SPS-ERwc. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these 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 OSTI2024

Geophysical and Environmental Monitoring Data, and Subsurface Flow Modelling Results for Chicken Bone Meadow, Mt. Snodgrass, Crested Butte, CO

This dataset includes geoelectrical monitoring data acquired between October 2021 and November 2022, soil moisture and temperature data, groundwater data obtained from borehole SNIB covering the period from June 2021 to September 2022, and hydrological modelling results. The data were acquired to investigate how variations in bedrock type and topography, and vegetation cover control subsurface flow dynamics. To provide insights into the subsurface flow dynamics and their controls, a monitoring transect was installed at the Chicken Bone Meadow, Mt. Snodgrass, Crested Butte, CO, measuring the spatio-temporal variations of soil moisture, soil and snow temperature, subsurface electrical resistivity variations, and groundwater dynamics. Field data are organized in a folder structure, with Electrical Resistivity Tomography (ERT) data being provided as one file per measurement, and data of the soil moisture and temperature sensors being provided as text files covering the entire monitoring period. The ‘Locations.csv’ file contains the location of all sensors, given in NAD83 – UTM Zone 13N. ERT monitoring data has been processed to filter data based on reciprocal errors (data with errors > 30% were removed), a linear error model was fitted to each survey, and to ensure a constant set of measurements for time-lapse inversion, filtered data were interpolated and assigned a 100% measurement error. Soil moisture and temperature data were acquired at 15 min intervals, and averaged to provide 1h data. Weather data and borehole data (groundwater depth, conductivity and temperature) were acquired at 30 min intervals, and are provided as daily measurements; all measurements are averaged, except of precipitation values, which are given as daily accumulation. The hydrological model was set up along the ERT monitoring transect, and net infiltration was used as surface boundary condition and derived from the weather data. Four different results are provided, (1) results for a parameterization using hydraulic permeability and porosity as derived from the ERT data through petrophysical relationships, and (2) three simplified model results, using 1 to 3 geological layers above the bedrock. Modelling was performed using PFLOTRAN, and for each model the PFLOTRAN input files are provided. The result files include weekly hydrological modelling results (e.g., saturation, velocities, pressures), as well as the model parameterization. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Radon Isotopes and Stable Water Isotopes from Coal Creek Watershed, Colorado (2021)

The radon isotope and stable water isotope data for Coal Creek Watershed, Colorado, consists of d2H, d18O, and 222Rn values from samples collected at 8 stream location along Coal Creek, samples from 7 groundwater springs within the watershed, and precipitation isotope samples collected by Next Generation Water Observing System (NGWOS) from a collector within the watershed. All stream and spring samples were collected between June and October, 2021, and precipitation isotope samples were collected between November 2020 and September 2021. These data were collected to evaluate how groundwater contributions to Coal Creek originating from a fractured hillslope and alluvial fan respond to summer monsoon rains and seasonal drying. Understanding of groundwater-surface water interactions in montane systems in critical for the future of water availability in the Western US as groundwater contributions are expected to become more important for sustaining summer stream flows. This data package contains: (1) a csv of all radon samples; (2) a csv of all stream and spring isotope samples; (3) a csv of precipitation isotope samples; and (4) a csv of locations for each sampling site. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

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↗
DOE OSTI2024

Data and scripts associated with a manuscript on a meta-analysis synthesizing stream biogeochemical response to wildfires across space and time (v2)

This data package is associated with the publication “Catchment characteristics modulate the influence of wildfires on nitrate and dissolved organic carbon in lotic systems across space and time: A meta-analysis” submitted to Global Biogeochemical Cycles (Cavaiani et al. 2025). This study uses meta-analytical techniques to evaluate the effect of wildfire on in-stream responses in burned and unburned watersheds. The study aims to provide additional insight into the range of responses and net influences that wildfires have on hydro-biogeochemistry across broad spatial scales, burn extents, and the persistence of water-quality change. This study compiles data and metadata from 18 total publications that includes 1) surface water geochemistry data (dissolved organic carbon; nitrate), 2) climate classifications, 3) year of the wildfire, 4) the time lag between when the fire occurred and when the sampling occurred, and 5) study design of the publication. In total, this meta-analysis draws data that spans 8 climate guilds, 3 biomes, 62 watersheds, and 20 unique wildfires. See Sites_meta_data.csv for citations of the papers used in this meta-analysis. All R scripts and the associated data can also be found on GitHub at This data package was originally published in March 2024. It was updated in April 2025 (v2; new and modified files). See the change history section in the readme for more details. This data package contains five primary folders that include the following: (1) inputs; (2) output for analysis; (3) initial plots; (4) R scripts; and (5) GIS data. The data package also contains a data dictionary (dd) that provides column header definitions and a file-level metadata (flmd) file that describes every file. The “inputs” folder contains a list of all publications identified during the formal web search and an indication of whether each publication was included in the final analysis. Additionally, it includes site-level metadata, catchment characteristics, and GIS data for all publications included in the final analysis. The “Output_for_analysis” folder contains all data frames and figures generated from each R script used for additional data analysis. The “initial_plots” folder includes all exploratory figures that will be included in a supplemental and figures that will be submitted with the manuscript for publication. The “R_scripts” folder contains the scripts that perform all the data manipulations, statistical analyses, and plots. The “gis_data” folder includes shape files for each fire included in this meta-analysis. This data package contains the following file types: csv, pdf, jpeg, cpg, dbf, prj, shp, shp.ea.iso.xml, shp.iso.xml, shx.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Hydrological control of chemical weathering and rock-carbon fluxes: East River, Colorado

This data package is used in the manuscript entitled “Hydrological control of chemical weathering and rock-carbon fluxes”. The field study was conducted in a lower montane hillslope of the East River watershed, underlain by Mancos Shale, within the lower 140 m section of a transect that extends nearly 1 km to its local peak. The data in this package, in CSV file format, were collected from Fall 2016 to fall 2021, including depth-resolved dynamic water table depths, subsurface water fluxes, solid phase (soil to bedrock) chemical compositions, geochemical properties of porewater and pore-gas, including radio carbon concentrations. The detailed methods of field studies, laboratory chemical analyses, and calculations are described in the Methods section and in the dataset file: Wan_et_al_Methods.pdf. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗