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Calibration method for a spectral computerized tomography system

A calibration method for an x-ray computerized tomography system and a method of tomographic reconstruction are provided. The calibration method includes steps of measuring at least one point spread function (PSF) at each of a plurality of points, compressing each PSF, and in one or more storing operations, storing the compressed PSFs in a computer-accessible storage medium. The PSF measurements are made in a grid of calibration points in a field of view (FOV) of the system. In the measuring step, an absorber is positioned at each of the calibration points, and an x-ray projection is taken at least once at each of those absorber positions. In the method of tomographic image reconstruction, projection data from an x-ray tomographic projection system are input to an iterative image reconstruction algorithm. The algorithm retrieves and utilizes a priori system information (APSI) The APSI comprises comprising point spread functions (PSFs) of all voxels in a voxelization of the field of view that are compressed in the form of vectors of parameters. For utilization, each retrieved vector of parameters is decompressed so as to generate a discretized PSF.

Jimenez, Jr., Edward Steven↗

Data management for community research projects: A JGOFS case study

Since the mid 1980s, much of the marine science research effort in the United Kingdom has been focused into large scale collaborative projects involving public sector laboratories and university departments, termed Community Research Projects. Two of these, the Biogeochemical Ocean Flux Study (BOFS) and the North Sea Project incorporated large scale data collection to underpin multidisciplinary modeling efforts. The challenge of providing project data sets to support the science was met by a small team within the British Oceanographic Data Centre (BODC) operating as a topical data center. The role of the data center was to both work up the data from the ship's sensors and to combine these data with sample measurements into online databases. The working up of the data was achieved by a unique symbiosis between data center staff and project scientists. The project management, programming and data processing skills of the data center were combined with the oceanographic experience of the project communities to develop a system which has produced quality controlled, calibrated data sets from 49 research cruises in 3.5 years of operation. The data center resources required to achieve this were modest and far outweighed by the time liberated in the scientific community by the removal of the data processing burden. Two online project databases have been assembled containing a very high proportion of the data collected. As these are under the control of BODC their long term availability as part of the UK national data archive is assured. The success of the topical data center model for UK Community Research Project data management has been founded upon the strong working relationships forged between the data center and project scientists. These can only be established by frequent personal contact and hence the relatively small size of the UK has been a critical factor. However, projects covering a larger, even international scale could be successfully supported by a network of topical data centers managing online databases which are interconnected by object oriented distributed data management systems over wide area networks.

Lowry, Roy K.↗

Software Engineering Laboratory (SEL) data and information policy

The policies and overall procedures that are used in distributing and in making available products of the Software Engineering Laboratory (SEL) are discussed. The products include project data and measures, project source code, reports, and software tools.

Mcgarry, Frank↗

BOREAS Soils Data over the SSA in Raster Format and AEAC Projection

This data set consists of GIS layers that describe the soils of the BOREAS SSA. The original data were submitted as vector layers that were gridded by BOREAS staff to a 30-meter pixel size in the AEAC projection. These data layers include the soil code (which relates to the soil name), modifier (which also relates to the soil name), and extent (indicating the extent that this soil exists within the polygon). There are three sets of these layers representing the primary, secondary, and tertiary soil characteristics. Thus, there is a total of nine layers in this data set along with supporting files. The data are stored in binary, image format files.

Knapp, David↗

GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics

Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.

Rempfert, Kaitlin R [Pacific Northwest National La↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

Joint iterative reconstruction and 3D rigid alignment for X-ray tomography

X-ray tomography is widely used for three-dimensional structure determination in many areas of science, from the millimeter to the nanometer scale. The resolution and quality of the 3D reconstruction is limited by the availability of alignment parameters that correct for the mechanical shifts of the sample or sample stage for the images that constitute a scan. In this paper we describe an algorithm for marker-free, fully automated and accurately aligned and reconstructed X-ray tomography data. Our approach solves the tomographic reconstruction jointly with projection data alignment based on a rigid-body deformation model. We demonstrate the robustness of our method on both synthetic phantom and experimental data and show that our method is highly efficient in recovering relatively large alignment errors without prior knowledge of a low resolution approximation of the 3D structure or a reasonable estimate of alignment parameters.

36 MATERIALS SCIENCE↗

Diurnally Migrating Lunar Water: Evidence from Ultraviolet Data

Data from the Lunar Reconnaissance Orbiter Lyman Alpha Mapping Project and Diviner are consistent with surface water on the Moon varying in abundance with both terrain type and local time/temperature. A thermal desorption model including latitudinally varying desorption activation energy reproduces the observations. We interpret the observed variability in spectral slopes as water molecules in the uppermost lunar regolith (<1% of a monolayer) thermally adsorbing and desorbing from grains depending upon the local temperature and availability of chemisorption sites. The Lyman Alpha Mapping Project data also demonstrate that in the Earth's magnetotail, where the solar wind source of protons is absent, a decrease in H2O on the surface is not observed. This rules out a steady state process involving aprompt solar wind source and favors a migration mechanism for the distribution of adsorbed water onthe Moon.

Diurnally↗

Analysis of Slow Spill Data for the Mu2e Experiment

The execution of the Mu2e experiment requires a stable, low-intensity proton beam from the Delivery Ring to produce clean data and protect equipment. This is done by performing a “slow extraction,” which is the gradual contraction of the stable region within the accelerator’s beam pipe. The Delivery Ring is currently unable to perform slow extraction with the stability required by Mu2e. To resolve this, the FAN-C team is training machine learning models with the purpose of replacing the Delivery Ring’s current PID controllers with AI-powered controllers. Training these models requires clean, processed data from slow spills. Over the course of this project, data from previous slow spills were processed and analyzed, and the clean data, graphs, and insights gained from the process were provided to the FAN-C team to assist them in their efforts.

Osborn, Thomas [Purdue U., West Lafayette]↗

Illinois State Geological Survey (ISGS), Illinois Basin - Decatur Project (IBDP) Seismic Data, July 7, 2021. Midwest Geological Sequestration Consortium (MGSC) Phase III Data Sets. DOE Cooperative Agreement No. DE-FC26-05NT42588.

Seismic data from the IBDP, included primarily under folders: Active_Seismic_Data and Passive_Seismic_Events_Monitoring. The data included under IBDP_Located_Microseismic_Event_Data are a subset of microseismic (Passive Seismic Events Monitoring) data acquired throughout the project from pre-injection to shut-in. These data represent the “located” microseismic events and the two datasets, located in folders Downhole_Geophone_Data and Surface_Seismometer_Data, are correlated.

3D Seismic,Carbon Sequestration,Decatur,Illinois B↗

Sharing the Sun: Understanding Community Solar Deployment and Subscriptions

This presentation reviews trends in the national community solar market, with project data through 2019 and subscriber data through 2018. It summarizes data on community solar deployment over time, by state, and by project characteristics. It also examines how market factors have shaped community solar deployment and explores data on the community solar value proposition to subscribers.

14 SOLAR ENERGY↗

Reconstruction of internal density distributions in porous bodies from laser ultrasonic data

It is presently shown that, for density-reconstruction problems in which information about the inhomogeneity is known a priori, the nonlinear least-squares algorithm yields satisfactory results on the basis of limited projection data. The back-projection algorithm, which obviates assumptions about the objective function to be reconstructed, does not recover the boundary of the inhomogeneity when the number of projections is limited and ray-bending is ignored.

Lu, Yichi↗

Process-based balance of system cost modeling for offshore wind power plants in the United States

This paper describes the development of a process-based and open-source balance of system cost model that provides the capability to evaluate both existing and novel offshore wind technologies. Individual design and installation steps are represented with bottom-up engineering models that compute times and costs associated with the process; furthermore, operational constraints are assigned to each process so that delays caused by weather and presence of marine mammals may be accounted for in the overall project timeline. The model structure, assumptions, inputs, and results are vetted with industry partners and compared against actual projects for validation. Installation times show reasonable agreement with real data. Project cost sensitivities are investigated to compute the system-level impact of different design choices. First, individual vessel efficiencies are computed for varying numbers of installation vessels and weather time series to show the diminishing returns of more than two feeder barges. Then, array cable capital costs and installation times are determined for a representative project with different turbine sizes. These values quantify the cost-benefit tradeoffs and show a net-cost savings of decreasing numbers of turbines, increased turbine spacing, and fewer turbine terminations. These results demonstrate that the balance of system model features the accuracy, functionality, and accessibility to serve as the foundation for a wide range of analyses to identify cost reduction potentials for offshore wind energy in the United States.

17 WIND ENERGY↗

A review of applications of microwave radiometry to oceanography

The emissivity of sea ice and atmospheric precipitation was investigated. Using the above physics, the data from the Electrically Scanning Microwave Radiometers (ESMR's) on the Nimbus-5 and Nimbus-6 satellites operating at wavelengths of 1.55 cm and 8mm, respectively, can be interpreted in terms of rain rate, ice coverage, and first year versus multi-year ice determination. The rain rate data is being used to establish a climatology of rainfall over the oceans. Both ice and rain data sets have been generated for the Global Atmospheric Research Project Data Systems Test.

Wilheit, T. T., Jr.↗

Investigation of Delayed Neutron Sensitivities for Several ICSBEP Benchmarks using MCNP

The effective delayed neutron (β$_{eff}$) is a very important parameter for reactor and criticality applications. This parameter is equal to the difference in reactivity between delayed critical ($k_{eff}$ = 1, which requires both prompt and delayed neutrons to achieve criticality) and prompt critical ($k_p$ = 1, which requires only prompt neutrons to achieve criticality). This is often referred to as the delayed critical "window" (the region of criticality between delayed and prompt critical). β$_{eff}$ is a reactor kinetics parameters and depends on the nuclides in the system that undergo fission as well as the spectral characteristics of the system. Measurements of β$_{eff}$ have been performed for many criticality experiments. The EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data) project at Los Alamos National Laboratory (LANL) aims to constrain nuclear data by using a suite of measurement types beyond $k_{eff}$. Our team has recently investigated the use of pulsed spheres for nuclear data validation. Several other measurement methods are also of interest, including β$_{eff}$ (investigated here) and reactivity coefficients (investigated in a separate work at this same meeting). One focus of our work is to determine if other methods are complimentary to the critical experiments already utilized for nuclear data validation. This is important because if a method has similar sensitivities then it will not be particularly useful for nuclear data validation as it will provide the same information as the critical experiments already being used. Here "similar" could refer to several characteristics, one being the shape of a sensitivity profile over energy. In the future, these methods will be utilized (with both existing and new experiments) in machine learning algorithms for nuclear validation, similar to what is currently done for criticality experiments. In order to use a measurement type for nuclear validation, it is necessary to obtain cross-section sensitivities for that parameter. This work looks at one approach to estimate β$_{eff}$ sensitivities by utilizing $k_{eff}$ sensitivities within Monte Carlo N-Particle ® Code Version 6.2. This is applied to several criticality benchmarks. Results are compared and the benefits and limitations of this approach are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SFA-VirOmics

PNNL's Soil Microbiome Science Focus Area (SFA) is focused on understanding the basic biology underpinning how interactions among various soil microbial community members, across trophic levels, lead to the emergence of community functions. Moisture, in particular, drives microbial interactions and influences everything from cell function to substrate fate within soils. The group predicts this results in repeatable, predictable phenotypes. The sum of these phenotypes comprises the “soil metaphenome”. Understanding how the soil metaphenome shifts in response to moisture will provide a basis for modeling and predicting these shifts in reaction network responses. Visit the PNNL Soil Microbiome Science Focus Area Program homepage for more information. PNNL’s Soil Microbiome SFA Virome Dataset Annotation page is an extension to the PNNL Soil Microbiome SFA repository on DataHub allows for exploring and downloading integrated experimental omics dataset annotations, associated experimental metadata, pre- and post-processed viral data files, and other associated materials directly related to experimental viral project data.

59 BASIC BIOLOGICAL SCIENCES↗