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Managing and Servicing Physical Oceanographic Data at a NASA Distributed Active Archive Center

The NASA Earth Science Data Information Systems Project funds and operates 12 Distributed Active Archive Center(s) (DAAC) throughout the United States. Of these 12 centers, the Physical Oceanography DAAC (PO.DAAC) is committed to providing long term archival, distribution and stewardship for NASA physical oceanographic data, primarily derived from space-born satellite systems, but also including a growing set of recent and future in situ observations from the SPURS-1 and SPURS-2 campaigns. Notable NASA missions supported include: Seasat, TOPEX/Poseidon, NSCAT, QuikSCAT, ISS-RapidScat, Jason-1, Jason-2/OSTM, GRACE, Aquarius, GHRSST, and MODIS. The following interagency and international missions are also supported by PO.DAAC: AVHRR, Coriolis, DMSP, MetOp-A, MetOp-B, Oceansat-2. The PO.DAAC currently holds 525 datasets in public distribution, spanning the following observational parameters: sea surface temperature, sea surface salinity, ocean color, ocean surface currents, ocean surface wind speed, ocean surface wind direction, sea surface height, significant wave height, ocean water mass/thickness, and sea ice age. A hundred of these datasets are available in near-real-time. Datasets are distributed through a variety of open-source access protocols including FTP, OPeNDAP, and THREDDS. FTP will soon be phased out in favor of a recently introduced HTTPS PO.DAAC Drive interface that supports WebDAV and interoperable machine-to-machine communication. OPeNDAP supports remote data/metadata query, subset, and download. THREDDS provides the features of OPeNDAP with the additional feature of temporal aggregation. PO.DAAC also offers proprietary tools and services to further enhance the data discovery, visualization and analysis experience, including but not limited to: State of the Ocean, Web Services (data/metadata discovery and extraction), HiTIDE Level-2 subsetter, Live Access Server (LAS), Webification (w10nsci), and Rich Site Summary (RSS) Datacasting. To assist with provenance of datasets, PO.DAAC has implemented DOIs for the data it distributes so that they can be properly cited. There is a user forum and helpdesk that contains data recipes and via which users can get guidance. In summary, this presentation aims to provide a general overview of PO.DAAC’s web portal and data holdings along with a set of illustrative examples leading prospective data users into the practical utility of its tools and services.

Moroni, David F.↗

Long-term measurements of ice nucleating particles at Atmospheric Radiation Measurement (ARM) sites worldwide

Ice nucleating particles (INPs) play a critical role in cloud microphysics and precipitation formation, yet long-term, spatially extensive observational datasets remain limited. Here, we present one of the most comprehensive publicly available datasets of immersion-mode INP concentrations using a single analytical method, generated through the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) user facility. INP filter samples have been collected across a broad range of environments – including agricultural plains, Arctic coastlines, high-elevation mountain sites, marine regions, and urban areas – via fixed observatories, mobile facility deployments, and vertically-resolved tethered balloon system operations. We describe the standardized processing and quality assurance pipeline, from filter collection and processing using the Ice Nucleation Spectrometer to final data products archived on the ARM Data Discovery portal. The dataset includes both total INP concentrations and selectively treated samples, allowing for classification of biological, organic, and inorganic INP types. It features a continuous 5-year record of INP measurements from a central U.S. site, with data collection still ongoing. Seasonal and site-specific differences in INP concentrations are illustrated through intercomparisons at −10 and −20 °C, revealing distinct regional sources and atmospheric drivers. We also outline mechanisms for researchers to access existing data, request additional sample analyses, and propose future field campaigns involving ARM INP measurements. This dataset supports a wide range of scientific applications, from observational and mechanistic studies to model development, and provides critical constraints on aerosol-cloud interactions across diverse atmospheric regimes (Creamean et al., 2024, 2020b; https://doi.org/10.5439/1770816).

Creamean, Jessie M. [Colorado State Univ., Fort Co↗

Tetranucleotide frequencies differentiate genomic boundaries and metabolic strategies across environmental microbiomes

Microbiomes are constrained by physicochemical conditions, nutrient regimes, and community interactions across diverse environments, yet genomic signatures of this adaptation remain unclear. Metagenome sequencing is a powerful technique to analyze genomic content in the context of natural environments, establishing concepts of microbial ecological trends. Here, we developed a data discovery tool-a tetranucleotide-informed metagenome stability diagram-that is publicly available in the integrated microbial genomes and microbiomes (IMG/M) platform for metagenome ecosystem analyses. We analyzed the tetranucleotide frequencies from quality-filtered and unassembled sequence data of over 12,000 metagenomes to assess ecosystem-specific microbial community composition and function. We found that tetranucleotide frequencies can differentiate communities across various natural environments and that specific functional and metabolic trends can be observed in this structuring. Our tool places metagenomes sampled from diverse environments into clusters and along gradients of tetranucleotide frequency similarity, suggesting microbiome community compositions specific to gradient conditions. Within the resulting metagenome clusters, we identify protein-coding gene identifiers that are most differentiated between ecosystem classifications. We plan for annual updates to the metagenome stability diagram in IMG/M with new data, allowing for refinement of the ecosystem classifications delineated here. This framework has the potential to inform future studies on microbiome engineering, bioremediation, and the prediction of microbial community responses to environmental change. IMPORTANCE: Microbes adapt to diverse environments influenced by factors like temperature, acidity, and nutrient availability. We developed a new tool to analyze and visualize the genetic makeup of over 12,000 microbial communities, revealing patterns linked to specific functions and metabolic processes. This tool groups similar microbial communities and identifies characteristic genes within environments. By continually updating this tool, we aim to advance our understanding of microbial ecology, enabling applications like microbial engineering, bioremediation, and predicting responses to environmental change.

Kellom, Matthew↗

NASA R&M Efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) Digital Assets

At the intersection of mission, technology, and place is NASA’s need to modernize for a digital-forward future. Digitalization, the process of moving toward digital business, is occurring everywhere and remains an ongoing process across the federal government.”[1] Whereas, Digital Transformation is “employing digitization/digital technologies (e.g., Artificial Intelligence (AI), mobile, cloud, data) to change a process, product, or capability so dramatically (e.g., real-time, intelligent, personalized, anywhere, anytime) that it is unrecognizable compared to its traditional form.” [2] In order to facilitate a digital transformation it is essential for NASA to understand and identify where data exists today and which data are value-needed in the future, understand where there are unfulfilled data needs that limit the advancement of NASA work, and ensure NASA efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) digital assets in the future. Therefore, NASA’s Reliability & Maintainability (R&M) Enterprise Data Sharing team is working to leverage both Digitization and Digital Transformation to achieve their vision of developing an R&M data discovery framework that enables our community, our partners, and our stakeholders with the ability to efficiently, robustly, and seamlessly access information that enables real-time knowledge and model-based, analytics driven, decision-making impacting R&M. As a result the R&M Enterprise Data Sharing team has conducted a survey of its Reliability, Maintainability, and Availability (RMA) community members to identify data existence (created or used) and where there are corresponding barriers to data acquisition and/or R&M or other issues as shown within this presentation.

Digital Transformation↗

Trilateral Task Force – Reliability Analysis Supporting Mission Extension/Post Mission Disposal

At the intersection of mission, technology, and place is NASA’s need to modernize for a digital-forward future. Digitalization, the process of moving toward digital business, is occurring everywhere and remains an ongoing process across the federal government.”[1] Whereas, Digital Transformation is “employing digitization/digital technologies (e.g., Artificial Intelligence (AI), mobile, cloud, data) to change a process, product, or capability so dramatically (e.g., real-time, intelligent, personalized, anywhere, anytime) that it is unrecognizable compared to its traditional form.” [2] In order to facilitate a digital transformation it is essential for NASA to understand and identify where data exists today and which data are value-needed in the future, understand where there are unfulfilled data needs that limit the advancement of NASA work, and ensure NASA efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) digital assets in the future. Therefore, NASA’s Reliability & Maintainability (R&M) Enterprise Data Sharing team is working to leverage both Digitization and Digital Transformation to achieve their vision of developing an R&M data discovery framework that enables our community, our partners, and our stakeholders with the ability to efficiently, robustly, and seamlessly access information that enables real-time knowledge and model-based, analytics driven, decision-making impacting R&M. As a result the R&M Enterprise Data Sharing team has conducted a survey of its Reliability, Maintainability, and Availability (RMA) community members to identify data existence (created or used) and where there are corresponding barriers to data acquisition and/or R&M or other issues as shown within this presentation.

Digital Transformation, Reliability Engineering↗

A Global Repository for Planet-Sized Experiments and Observations

Working across U.S. federal agencies, international agencies, and multiple worldwide data centers, and spanning seven international network organizations, the Earth System Grid Federation (ESGF) allows users to access, analyze, and visualize data using a globally federated collection of networks, computers, and software. Its architecture employs a system of geographically distributed peer nodes that are independently administered yet united by common federation protocols and application programming interfaces (APIs). The full ESGF infrastructure has now been adopted by multiple Earth science projects and allows access to petabytes of geophysical data, including the Coupled Model Intercomparison Project (CMIP) output used by the Intergovernmental Panel on Climate Change assessment reports. Data served by ESGF not only include model output (i.e., CMIP simulation runs) but also include observational data from satellites and instruments, reanalyses, and generated images. Metadata summarize basic information about the data for fast and easy data discovery.

Earth Systems Grid Federation (ESGFC)↗

The I4 Online Query Tool for Earth Observations Data

The NASA Earth Observation System Data and Information System (EOSDIS) delivers an average of 22 terabytes per day of data collected by orbital and airborne sensor systems to end users through an integrated online search environment (the Reverb/ECHO system). Earth observations data collected by sensors on the International Space Station (ISS) are not currently included in the EOSDIS system, and are only accessible through various individual online locations. This increases the effort required by end users to query multiple datasets, and limits the opportunity for data discovery and innovations in analysis. The Earth Science and Remote Sensing Unit of the Exploration Integration and Science Directorate at NASA Johnson Space Center has collaborated with the School of Earth and Space Exploration at Arizona State University (ASU) to develop the ISS Instrument Integration Implementation (I4) data query tool to provide end users a clean, simple online interface for querying both current and historical ISS Earth Observations data. The I4 interface is based on the Lunaserv and Lunaserv Global Explorer (LGE) open-source software packages developed at ASU for query of lunar datasets. In order to avoid mirroring existing databases - and the need to continually sync/update those mirrors - our design philosophy is for the I4 tool to be a pure query engine only. Once an end user identifies a specific scene or scenes of interest, I4 transparently takes the user to the appropriate online location to download the data. The tool consists of two public-facing web interfaces. The Map Tool provides a graphic geobrowser environment where the end user can navigate to an area of interest and select single or multiple datasets to query. The Map Tool displays active image footprints for the selected datasets (Figure 1). Selecting a footprint will open a pop-up window that includes a browse image and a link to available image metadata, along with a link to the online location to order or download the actual data. Search results are either delivered in the form of browse images linked to the appropriate online database, similar to the Map Tool, or they may be transferred within the I4 environment for display as footprints in the Map Tool. Datasets searchable through I4 (http://eol.jsc.nasa.gov/I4_tool) currently include: Crew Earth Observations (CEO) cataloged and uncataloged handheld astronaut photography; Sally Ride EarthKAM; Hyperspectral Imager for the Coastal Ocean (HICO); and the ISS SERVIR Environmental Research and Visualization System (ISERV). The ISS is a unique platform in that it will have multiple users over its lifetime, and that no single remote sensing system has a permanent internal or external berth. The open source I4 tool is designed to enable straightforward addition of new datasets as they become available such as ISS-RapidSCAT, Cloud Aerosol Transport System (CATS), and the High Definition Earth Viewing (HDEV) system. Data from other sensor systems, such as those operated by the ISS International Partners or under the auspices of the US National Laboratory program, can also be added to I4 provided sufficient access to enable searching of data or metadata is available. Commercial providers of remotely sensed data from the ISS may be particularly interested in I4 as an additional means of directing potential customers and clients to their products.

Stefanov, William L.↗

Integrated support of NASA satellite and in situ oceanographic data via the PO.DAAC

The NASA Physical Oceanography DAAC (PO.DAAC) serves as one of the premier repositories for oceanographic satellite data. More recently, however, it is also increasingly archiving and distributing complementary in situ datasets from NASA-sponsored field campaigns. Here we present an overview of these projects, the complex multivariate data they produce, and some of the data interoperability challenges faced when dealing with such a heterogeneous suite of observations. We summarize the range of online tools and services currently available via the PODAAC, including data discovery services, web-services for subsetting/extraction, compliance checking and visualization. We also preview some new capabilities under development that may feature in future. These efforts are indicative of an evolution of DAAC services in pursuit of our broader vision: a more integrated approach to multi-sensor oceanographic data access and delivery spanning NASA satellite missions and field campaigns in support of science and applications for societal benefit.

Vannan, Suresh↗

Collaborative Data Publication Utilizing the Open Data Repository's (ODR) Data Publisher

Introduction: For small communities in diverse fields such as astrobiology, publishing and sharing data can be a difficult challenge. While large, homogenous fields often have repositories and existing data standards, small groups of independent researchers have few options for publishing standards and data that can be utilized within their community. In conjunction with teams at NASA Ames and the University of Arizona, the Open Data Repository's (ODR) Data Publisher has been conducting ongoing pilots to assess the needs of diverse research groups and to develop software to allow them to publish and share their data collaboratively. Objectives: The ODR's Data Publisher aims to provide an easy-to-use and implement software tool that will allow researchers to create and publish database templates and related data. The end product will facilitate both human-readable interfaces (web-based with embedded images, files, and charts) and machine-readable interfaces utilizing semantic standards. Characteristics: The Data Publisher software runs on the standard LAMP (Linux, Apache, MySQL, PHP) stack to provide the widest server base available. The software is based on Symfony (www.symfony.com) which provides a robust framework for creating extensible, object-oriented software in PHP. The software interface consists of a template designer where individual or master database templates can be created. A master database template can be shared by many researchers to provide a common metadata standard that will set a compatibility standard for all derivative databases. Individual researchers can then extend their instance of the template with custom fields, file storage, or visualizations that may be unique to their studies. This allows groups to create compatible databases for data discovery and sharing purposes while still providing the flexibility needed to meet the needs of scientists in rapidly evolving areas of research. Research: As part of this effort, a number of ongoing pilot and test projects are currently in progress. The Astrobiology Habitable Environments Database Working Group is developing a shared database standard using the ODR's Data Publisher and has a number of example databases where astrobiology data are shared. Soon these databases will be integrated via the template-based standard. Work with this group helps determine what data researchers in these diverse fields need to share and archive. Additionally, this pilot helps determine what standards are viable for sharing these types of data from internally developed standards to existing open standards such as the Dublin Core (http://dublincore.org) and Darwin Core (http://rs.twdg.org) metadata standards. Further studies are ongoing with the University of Arizona Department of Geosciences where a number of mineralogy databases are being constructed within the ODR Data Publisher system. Conclusions: Through the ongoing pilots and discussions with individual researchers and small research teams, a definition of the tools desired by these groups is coming into focus. As the software development moves forward, the goal is to meet the publication and collaboration needs of these scientists in an unobtrusive and functional way.

easy to use and implement software tool↗

The disCO2ver Platform: Curating Data and Tools for Geologic Carbon Sequestration and Deep Subsurface Research Systems

The U.S. DOE National Energy Technology Laboratory has invested 12+ years of development into the data repository and digital laboratory, the Energy Data eXchange (EDX, edx.netl.doe.gov). Supporting a variety of research areas across the DOE Office of Fossil Energy and Carbon Management, the platform has successfully curated and preserved thousands of data products from DOE research. The Carbon Storage Program has successfully supported data curation, upload, and publishing of data products on EDX for many years, demonstrating a success story of how resources like EDX can effectively help with long term preservation and publishing of DOE data products. EDX continues to shift towards cloud-supported infrastructure, taking a hybrid approach combining on-premises compute and storage integrated with cloud-hosted services. The integration of cloud compute and hybrid architecture enables the development of EDX-hosted platforms that tailor the data and tools hosted on them to a specific community, enables implementation of machine learning tools for data discovery and filtering, and enables the hosting of virtual (online user interface) tools. Geologic carbon sequestration (GCS) research continues to scale up in response to the current administration goals to reduce greenhouse gas emissions and transition the energy economy. Over the last year, EDX’s disCO2ver platform has been developed in response to the need for access to data products and tools to support the scaling up of GCS research. disCO2ver provides access to data resources and tools, produced by DOE and outside authoritative external resources. The platform also provides a user-access control component for the virtualization and cloud hosting of tools. Tools that need to be virtualized, to eliminate the need for users to download the tool and use local compute resources, is essential to supporting big-data analysis and machine learning that is becoming common place in carbon storage modeling, risk analysis, and data publishing practices. This talk will review the EDX’s disCO2ver platform and the current work ongoing to curate data and tools to support GCS and deep subsurface systems research.

Morkner, Paige↗

The infrared astronomical satellite asteroid database

The creation, maintenance, and distribution of the set of ground-based observational data being used to help calculate the diameters and albedos of asteroids observed by IRAS during the sky survey of February-November 1983 are discussed in a status report. The database comprises orbital elements, absolute magnitudes, UBV colors, thermal radiometry, light-curve parameters, and taxonomic classifications; supplementary files include eight-color photometry, spectrophotometry, polarimetry, JHK observations, proper elements, discovery data, occultation diameters, radar characteristics, and references. Distribution in machine-readable and hard-copy formats and maintenance of the database by incorporating new data as they are published are planned.

Tedesco, E. F.↗

WIS and WIGOS Metadata as the Foundation for a Sustainable Framework for Global Greenhouse Gas Watch Data Exchange

Metadata (data about data) is a critical component of data discovery, description, evaluation, documentation, and preservation. Developing and propagating metadata standards has been a longstanding area of activity in WMO and beyond. The WIS2 and WIGOS metadata models are being actively developed and maintained by dedicated task teams, established under the WMO Expert Team on Metadata. The metadata representations and vocabularies are governed by well-established processes within WMO. These standards are being used in a number of metadata/data exchange activities (e.g., WMO Information System 2.0 (WIS2), WIGOS (WMDR), Climate Data Management Systems (CMDS), etc.). It should also be noted that the application of the WIS2 and WIGOS standards fully support the WMO Unified Data Policy and open data policy as well as greatly enhance the value of observations by fostering data F.A.I.R.ness. Furthermore, the WMO metadata standards can serve as the foundation for a framework that will facilitate metadata mapping between the existing schemas used in well-established data centres, e.g., WMO WDCGG (World Data Centre for Greenhouse Gases) and NOAA ObsPack (Observation Package Data Products) and to automate metadata exchange between data centres as well as with WMO. These activities will play a central role in integrating measurements sponsored by various member countries and organizations to provide a more comprehensive characterization of the temporal and spatial distribution of the greenhouse gases. At the same time, this metadata exchange can lead to member countries and partner organizations improving their current metadata collection process for data discoverability, interoperability, and (re)usability. This presentation will describe metadata activities in the context of WIS2 and WIGOS and how they apply to GGGW data integration via metadata mapping and exchange.

Gao Chen↗

Virtual Observatory Science Applications

Many Virtual-Observatory-based applications are now available to astronomers for use in their research. These span data discovery, access, visualization and analysis. Tools can quickly gather and organize information from sites around the world to help in planning a response to a gamma-ray burst, help users pick filters to isolate a desired feature, make an average template for z=2 AGN, select sources based upon information in many catalogs, or correlate massive distributed databases. Using VO protocols, the reach of existing software tools and packages can be greatly extended, allowing users to find and access remote information almost as conveniently as local data. The talk highlights just a few of the tools available to scientists, describes how both large and small scale projects can use existing tools, and previews some of the new capabilities that will be available in the next few years.

McGlynn, Tom↗

CoRE MOF DB: A curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening

Here, we present an updated version of the Computation-Ready, Experimental (CoRE) Metal-Organic Framework (MOF) database, which includes a curated set of computation-ready MOF crystal structures designed for high-throughput computational materials discovery. Data collection and curation procedures were improved from the previous version to enable more frequent updates in the future. Machine-learning-predicted properties, such as stability metrics and heat capacities, are included in the dataset to streamline screening activities. An updated version of MOFid was developed to provide detailed information on metal nodes, organic linkers, and topologies of an MOF structure. DDEC6 partial atomic charges of MOFs were assigned based on a machine-learning model. Gibbs ensemble Monte Carlo simulations were used to classify the hydrophobicity of MOFs. The finalized dataset was subsequently used to perform integrated material-process screening for various carbon-capture conditions using high-fidelity temperature-swing adsorption (TSA) simulations. Our workflow identified multiple MOF candidates that are predicted to outperform CALF-20 for these applications.

CoRE MOF database↗

Planet Microbe: a platform for marine microbiology to discover and analyze interconnected ‘omics and environmental data

In recent years, large-scale oceanic sequencing efforts have provided a deeper understanding of marine microbial communities and their dynamics. These research endeavors require the acquisition of complex and varied datasets through large, interdisciplinary and collaborative efforts. However, no unifying framework currently exists for the marine science community to integrate sequencing data with physical, geological, and geochemical datasets. Planet Microbe is a web-based platform that enables data discovery from curated historical and on-going oceanographic sequencing efforts. In Planet Microbe, each ‘omics sample is linked with other biological and physiochemical measurements collected for the same water samples or during the same sample collection event, to provide a broader environmental context. This work highlights the need for curated aggregation efforts that can enable new insights into high-quality metagenomic datasets.

59 BASIC BIOLOGICAL SCIENCES↗

Machine Learning and Social Media to Mine and Disseminate Big Scientific Data

One of the challenges in supplying the communities with wider access to scientific databases is the need for knowledge of database languages like Structured Query Language (SQL). Although the SQL language has been published in many forms, not everybody is able to write SQL queries. Another challenge is that it might not be practical to make the public aware of the structure of databases. There is a need for novice users to query relational databases using their natural language. To solve this problem, many natural language interfaces to structured databases have been developed. The goal is to provide a more intuitive method for generating database queries and delivering responses. Through social media, which makes it possible to interact with a wide section of the population, and with the help of natural language processing, researchers at the Atmospheric Radiation Measurement (ARM) Data Center at Oak Ridge National Laboratory (ORNL) have developed a concept to enable easy search and retrieval of data from several environmental data centers for the scientific community through social media.Using a machine learning framework that maps natural language text to thousands of datasets, instruments, variables, and data streams, the prototype system would allow users to request data through Twitter and receive a link (via tweet) to applicable data results on the project's search catalog tailored to their key words. This automated identification of relevant data from various petascale archives at ORNL could increase convenience, access, and use of the project's data by the broader community. In this paper we discuss how some data-intensive projects at ORNL are using innovative ways to help in data discovery.

Devarakonda, Ranjeet↗

Deformation and Fracture in Complex-Shaped Energetic Particles

A new technical basis on the mechanics of energetic materials at the individual particle scale has been developed. Despite these particles being in most of our Sandia non-nuclear explosive components, we have historically lacked any understanding of particle behavior. Through the novel application of nanoidentation methods to single crystal films and single particles of energetic materials with complex shapes, discovery data has been collected elucidating phenomena of particle strength, elastic and plastic deformation, and fracture. This work specifically developed the experimental techniques and analysis methodologies to distill data into relationships suitable for future integration into particle level simulations of particle reassembly. This project utilized experimental facilities at CINT and the Explosive Components Facility to perform ex-situ and in-situ nanoidentation experiments with simultaneous scanning electron microscope (SEM) imaging. Data collected by an applied axial compressive load in either force-control or displacement-control was well represented by Hertzian contact theory for linear elastic materials. Particle fracture phenomenology was effectively modeled by an empirical damage model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗