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All sources NASA NTRS DOE OSTI

DOE OSTI2022

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

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

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Temporal Study 2022-2024: Sample-Based Surface Water Dissolved Inorganic Carbon, Dissolved Organic Carbon, Total Nitrogen, Stable Isotopes, and Total Suspended Solids from across Multiple Watersheds in the Yakima River Basin, Washington, USA

18-O↗

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↗

NASA NTRS1996

Development of Software to Model AXAF-I Image Quality

This draft final report describes the work performed under the delivery order number 145 from May 1995 through August 1996. The scope of work included a number of software development tasks for the performance modeling of AXAF-I. A number of new capabilities and functions have been added to the GT software, which is the command mode version of the GRAZTRACE software, originally developed by MSFC. A structural data interface has been developed for the EAL (old SPAR) finite element analysis FEA program, which is being used by MSFC Structural Analysis group for the analysis of AXAF-I. This interface utility can read the structural deformation file from the EAL and other finite element analysis programs such as NASTRAN and COSMOS/M, and convert the data to a suitable format that can be used for the deformation ray-tracing to predict the image quality for a distorted mirror. There is a provision in this utility to expand the data from finite element models assuming 180 degrees symmetry. This utility has been used to predict image characteristics for the AXAF-I HRMA, when subjected to gravity effects in the horizontal x-ray ground test configuration. The development of the metrology data processing interface software has also been completed. It can read the HDOS FITS format surface map files, manipulate and filter the metrology data, and produce a deformation file, which can be used by GT for ray tracing for the mirror surface figure errors. This utility has been used to determine the optimum alignment (axial spacing and clocking) for the four pairs of AXAF-I mirrors. Based on this optimized alignment, the geometric images and effective focal lengths for the as built mirrors were predicted to cross check the results obtained by Kodak.

Ahmad, Anees↗

DOE OSTI2019

Time sequence gamma-spectrometry of irradiated salt

Persisted Memory Mapping File (MMF) techniques have developed for the processing and analysis of time-stamped list (TLIST) mode data collected from an irradiated salt sample. This is a new technique that is unique to this research and enables additional information to be obtained from a conventional pulse height analysis (PHA) gamma-spectrometry acquisition. A salt sample was irradiated using a DT neutron generator and immediately measured using TLIST acquisition for 1 month to generate a 22 GB data file. MMF techniques were used to process the file without size restrictions at a rate of 388.5 MB minute-1, with instant access to any position within the file, separating the file into a series of time sequenced spectra suitable for PHA analysis. This enabled 14 activation products to be identified at different time intervals (41Ar, 80Br, 80mBr, 47Ca, 34mCl, 38Cl, 42K, 43K, 56Mn, 22Na, 24Na, 85Sr, 87mSr and 69mZn), and 6 radionuclides (80Br, 47Ca, 34mCl, 56Mn, 24Na and 87mSr) to be definitively confirmed based upon their measured half-life. Using this technique, the detection of 47Ca, and in-growth of its 47Sc progeny, was demonstrated as useful for calculating the time since irradiation.

Burnett, Jonathan L.↗

DOE OSTI2022

Metall: A persistent memory allocator for data-centric analytics

Data analytics applications transform raw input data into analytics-specific data structures before performing analytics. Unfortunately, such data ingestion steps are often more expensive than analytics. In addition, various types of NVRAM devices are already used in many HPC systems today. Such devices will be useful for storing and reusing data structures beyond a single process life cycle. We developed Metall, a persistent memory allocator built on top of the memory-mapped file mechanism. Metall enables applications to transparently allocate custom C++ data structures into various types of persistent memories. Metall incorporates a concise and high-performance memory management algorithm inspired by Supermalloc and the rich C++ interface developed by Boost.Interprocess library. On a dynamic graph construction workload, Metall achieved up to 11.7x and 48.3x performance improvements over Boost.Interprocess and memkind (PMEM kind), respectively. We also demonstrate Metall’s high adaptability by integrating Metall into a graph processing framework, GraphBLAS Template Library. Here this study’s outcomes indicate that Metall will be a strong tool for accelerating future large-scale data analytics by allowing applications to leverage persistent memory efficiently.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

TOFHunter—unlocking rapid untargeted screening of inductively coupled plasma–time-of-flight–mass spectrometry data

This study provides an overview of a newly developed open source program written in Python, TOFHunter, which permits the rapid and untargeted screening of inductively coupled plasma (ICP)-time-of-flight (TOF)-mass spectrometry (MS) datasets. ICP-TOF-MS is an analytical tool capable of providing quasi simultaneous detection of all nuclides from Li to Pu. This capability has triggered an increase in studies investigating single-particle analysis in which the TOF-MS provides correlated elemental/isotopic signatures on a particle basis in time. Similarly, laser ablation mapping has seen rapid growth owing to ICP-TOF-MS's capacity to handle fast washout times (<10 ms) while providing a broad nuclide coverage. The caveat to this broad mass coverage and high time resolution comes in the form of large, overwhelming datasets. With datasets typically on the scale of gigabytes, it is easy for a user to only focus on very targeted analytes; however, this focus diminishes the opportunity offered by the TOF-MS detector. TOFHunter applies chemometric methods, principal component analysis (PCA), and interesting features finder (IFF) on ICP-TOF-MS data, allowing for investigation of correlations, major and minor variance sources, and sample screening. The unique spectra identified by the (IFF) are used to generate a list of mass peaks, which are then matched with both nuclides and potential interferences before being exported for the user to investigate. Several case studies are discussed herein, demonstrating TOFHunter's ability to screen aqueous injections, single-particle/single-cell analysis, and probe laser ablation mapping files for unique regions of interest.

47 OTHER INSTRUMENTATION↗

DOE OSTI2013

Hot Pot Regional Geologic and Surface Feature Map

This archive contains an ArcGIS map package file that includes a relief base with the northern Nevada Hot Pot project area, generalized geology, selected mines, and major topographic features. Also included is a metadata file containing map features and their description.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

PARETO UI 1.1.0 Release

PARETO is an open-source Python-based software package for oilfield produced water management and beneficiary reuse optimization. PARETO supports produced water industry by providing cost-effective water management solutions. This version introduced an updated User Interface (UI) which makes it easier to navigate and understand the solution for industry users. New Features: - Map files are added for visualization - Added output export function button - Water residual view added - Workflow was streamlined - File extension was expanded - Minor bugfix

AS↗

NASA NTRS2002

Software for Viewing Landsat Mosaic Images

A Windows-based computer program has been written to enable novice users (especially educators and students) to view images of large areas of the Earth (e.g., the continental United States) generated from image data acquired in the Landsat observations performed circa the year 1990. The large-area images are constructed as mosaics from the original Landsat images, which were acquired in several wavelength bands and each of which spans an area (in effect, one tile of a mosaic) of approx. 5 in latitude by approx. 6 deg in longitude. Whereas the original Landsat data are registered on a universal transverse Mercator (UTM) grid, the program converts the UTM coordinates of a mouse pointer in the image to latitude and longitude, which are continuously updated and displayed as the pointer is moved. The mosaic image currently on display can be exported as a Windows bit-map file. Other images (e.g., of state boundaries or interstate highways) can be overlaid on Landsat mosaics. The program interacts with the user via standard toolbar, keyboard, and mouse user interfaces. The program is supplied on a compact disk along with tutorial and educational information.

Source record↗

NASA NTRS2002

Software for Viewing Landsat Mosaic Images

A Windows-based computer program has been written to enable novice users (especially educators and students) to view images of large areas of the Earth (e.g., the continental United States) generated from image data acquired in the Landsat observations performed circa the year 1990. The large-area images are constructed as mosaics from the original Landsat images, which were acquired in several wavelength bands and each of which spans an area (in effect, one tile of a mosaic) of 5 in latitude by approximately equal to 6 degrees in longitude. Whereas the original Landsat data are registered on a universal transverse Mercator (UTM) grid, the program converts the UTM coordinates of a mouse pointer in the image to latitude and longitude, which are continuously updated and displayed as the pointer is moved. The mosaic image currently on display can be exported as a Windows bit-map file. Other images (e.g., of state boundaries or interstate highways) can be overlaid on Landsat mosaics. The program interacts with the user via standard toolbar, keyboard, and mouse user interfaces. The program is supplied on a compact disk along with tutorial and educational information.

Watts, Jack↗

NASA NTRS2008

Providing Internet Access to High-Resolution Lunar Images

The OnMoon server is a computer program that provides Internet access to high-resolution Lunar images, maps, and elevation data, all suitable for use in geographical information system (GIS) software for generating images, maps, and computational models of the Moon. The OnMoon server implements the Open Geospatial Consortium (OGC) Web Map Service (WMS) server protocol and supports Moon-specific extensions. Unlike other Internet map servers that provide Lunar data using an Earth coordinate system, the OnMoon server supports encoding of data in Moon-specific coordinate systems. The OnMoon server offers access to most of the available high-resolution Lunar image and elevation data. This server can generate image and map files in the tagged image file format (TIFF) or the Joint Photographic Experts Group (JPEG), 8- or 16-bit Portable Network Graphics (PNG), or Keyhole Markup Language (KML) format. Image control is provided by use of the OGC Style Layer Descriptor (SLD) protocol. Full-precision spectral arithmetic processing is also available, by use of a custom SLD extension. This server can dynamically add shaded relief based on the Lunar elevation to any image layer. This server also implements tiled WMS protocol and super-overlay KML for high-performance client application programs.

Plesea, Lucian↗

NASA NTRS2008

Providing Internet Access to High-Resolution Mars Images

The OnMars server is a computer program that provides Internet access to high-resolution Mars images, maps, and elevation data, all suitable for use in geographical information system (GIS) software for generating images, maps, and computational models of Mars. The OnMars server is an implementation of the Open Geospatial Consortium (OGC) Web Map Service (WMS) server. Unlike other Mars Internet map servers that provide Martian data using an Earth coordinate system, the OnMars WMS server supports encoding of data in Mars-specific coordinate systems. The OnMars server offers access to most of the available high-resolution Martian image and elevation data, including an 8-meter-per-pixel uncontrolled mosaic of most of the Mars Global Surveyor (MGS) Mars Observer Camera Narrow Angle (MOCNA) image collection, which is not available elsewhere. This server can generate image and map files in the tagged image file format (TIFF), Joint Photographic Experts Group (JPEG), 8- or 16-bit Portable Network Graphics (PNG), or Keyhole Markup Language (KML) format. Image control is provided by use of the OGC Style Layer Descriptor (SLD) protocol. The OnMars server also implements tiled WMS protocol and super-overlay KML for high-performance client application programs.

Plesea, Lucian↗

NASA NTRS2012

A Framework for Simulating Turbine-Based Combined-Cycle Inlet Mode-Transition

A simulation framework based on the Memory-Mapped-Files technique was created to operate multiple numerical processes in locked time-steps and send I/O data synchronously across to one-another to simulate system-dynamics. This simulation scheme is currently used to study the complex interactions between inlet flow-dynamics, variable-geometry actuation mechanisms, and flow-controls in the transition from the supersonic to hypersonic conditions and vice-versa. A study of Mode-Transition Control for a high-speed inlet wind-tunnel model with this MMF-based framework is presented to illustrate this scheme and demonstrate its usefulness in simulating supersonic and hypersonic inlet dynamics and controls or other types of complex systems.

Le, Dzu K.↗

NASA NTRS2012

The Influence of Pickup Protons, from Interstellar Neutral Hydrogen, on the Propagation of Interplanetary Shocks from the Halloween 2003 Solar Events to ACE and Ulysses: A 3-D MHD Modeling Study

We describe our 3-D, time ]dependent, MHD solar wind model that we recently modified to include the physics of pickup protons from interstellar neutral hydrogen. The model has a time-dependent lower boundary condition, at 0.1 AU, that is driven by source surface map files through an empirical interface module. We describe the empirical interface and its parameter tuning to maximize model agreement with background (quiet) solar wind observations at ACE. We then give results of a simulation study of the famous Halloween 2003 series of solar events. We began with shock inputs from the Fearless Forecast real ]time shock arrival prediction study, and then we iteratively adjusted input shock speeds to obtain agreement between observed and simulated shock arrival times at ACE. We then extended the model grid to 5.5 AU and compared those simulation results with Ulysses observations at 5.2 AU. Next we undertook the more difficult tuning of shock speeds and locations to get matching shock arrival times at both ACE and Ulysses. Then we ran this last case again with neutral hydrogen density set to zero, to identify the effect of pickup ions. We show that the speed of interplanetary shocks propagating from the Sun to Ulysses is reduced by the effects of pickup protons. We plan to make further improvements to the model as we continue our benchmarking process to 10 AU, comparing our results with Cassini observations, and eventually on to 100 AU, comparing our results with Voyager 1 and 2 observations.

Detman, T. R.↗

DOE OSTI2019

Data to Accompany "Metabotyping as a Stopover in Genome-to-Phenome Mapping"

This file contains all of the genotypic and metabolomic data analyzed in the article "Metabotyping as a Stopover in Genome-to-Phenome Mapping" published in Scientific Reportsvolume 9, Article number: 1858 (2019). The code that we used to analyze these data and produce the results and figures in this article can be found here https://github.com/PNNL-PREMIS/PREMIS-metabotyping .

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Ground-based_transient_electromagnetic_data_and_resistivity_models_for_SubTER_BelleCreek_2017-2018

Ground-based transient electromagnetic (TEM) data were acquired in selected locations around Belle Creek, Montana to define the resistivity structure of the near surface. Data were acquired using the ABEM WalkTEM system (Guideline Geo Ab, Sundbyberg, Sweden). TEM data were processed and numerically inverted to derive one-dimensional resistivity structure using SPIA (Aarhus Geosoftware, Aarhus, Denmark). This release includes raw and processed TEM data and resistivity models for each data location using the following structure: Ground-based_transient_electromagnetic_data_and_resistivity_models_for_SubTER_BelleCreek_2017-2018.xml SBC_TEM_2019_SoundingLocationsModels.gdb.zip - file geodatabase with all models and plots attached. This is a mirror of the contents of the model directory. Ground-based_transient_electromagnetic_data_and_resistivity_models_for_SubTER_BelleCreek_2017-2018.zip Data SBC_USF - raw data USF_format_description.pdf - manual describing the USF file format SBC_SoundingID-USF_lookup.csv - table describing the USF file naming convention and channel mapping *.usf files - raw, unprocessed data files SBC_TEM - processed data AarhusInv_manual.pdf - manual describing the TEM file format *.tem files - processed data files Models SBC_Model_Plots - plots of the data and the models for each sounding location TEM_model_data_dictionary.csv - data dictionary describing tabulated models SBC_TEM_models.csv - tabulated models

geophysical surveying↗

DOE OSTI2015

GPFA-AB_Phase1UtilizationTask4DataUpload

This submission of Utilization Analysis data to the Geothermal Data Repository (GDR) node of the National Geothermal Data System (NGDS) is in support of Phase 1 Low Temperature Geothermal Play Fairway Analysis for the Appalachian Basin (project DE-EE0006726). The submission includes data pertinent to the methods and results of an analysis of the Surface Levelized Cost of Heat (SLCOH) for US Census Bureau ‘Places’ within the study area. This was calculated using a modification of a program called GEOPHIRES, available at http://koenraadbeckers.net/geophires/index.php. The MATLAB modules used in conjunction with GEOPHIRES, the MATLAB data input file, the GEOPHIRES output data file, and an explanation of the software components have been provided. Results of the SLCOH analysis appear on 4 .png image files as mapped ‘risk’ of heat utilization. For each of the 4 image (.png) files, there is an accompanying georeferenced TIF (.tif) file by the same name. In addition to calculating SLCOH, this Task 4 also identified many sites that may be prospects for use of a geothermal district heating system, based on their size and industry, rather than on the SLCOH. An industry sorted listing of the sites (.xlsx) and a map of these sites plotted as a layer onto different iterations of maps combining the three geological risk factors (Thermal Quality, Natural Reservoir Quality, and Risk of Seismicity) has been provided. In addition to the 6 image (.png) files of the maps in this series, a shape (.shp) file and 7 associated files are included as well. Finally, supporting files (.pdf) describing the utilization analysis methodology and summarizing the anticipated permitting for a deep district heating system are supplied.

15 GEOTHERMAL ENERGY↗