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At least 73 records · Page 4

The need for standardization and improved open (meta)data practices in metaproteomics

Metaproteomics enables functional insight into microbial communities by identifying and quantifying proteins in complex samples. Yet, heterogeneous analytical workflows and the lack of standardization across experimental and bioinformatics stages hinder reproducibility and comparability, limiting integration with other omics data. We here present a community-developed reporting checklist tailored to the specific needs of metaproteomics. We also outline current efforts to enable structured and interoperable metadata capture, drawing on standards from proteomics and microbiome research wherever possible. By promoting transparent reporting and advancing metadata practices, our recommendations aim to align metaproteomics more closely with FAIR principles and support reproducible and interoperable research practices.

Armengaud, Jean [Universite Paris-Saclay, France]↗

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗

Application of ESE Data and Tools to Air Quality Management: Services for Helping the Air Quality Community use ESE Data (SHAirED)

The goal of this REASoN applications and technology project is to deliver and use Earth Science Enterprise (ESE) data and tools in support of air quality management. Its scope falls within the domain of air quality management and aims to develop a federated air quality information sharing network that includes data from NASA, EPA, US States and others. Project goals were achieved through a access of satellite and ground observation data, web services information technology, interoperability standards, and air quality community collaboration. In contributing to a network of NASA ESE data in support of particulate air quality management, the project will develop access to distributed data, build Web infrastructure, and create tools for data processing and analysis. The key technologies used in the project include emerging web services for developing self describing and modular data access and processing tools, and service oriented architecture for chaining web services together to assemble customized air quality management applications. The technology and tools required for this project were developed within DataFed.net, a shared infrastructure that supports collaborative atmospheric data sharing and processing web services. Much of the collaboration was facilitated through community interactions through the Federation of Earth Science Information Partners (ESIP) Air Quality Workgroup. The main activities during the project that successfully advanced DataFed, enabled air quality applications and established community-oriented infrastructures were: develop access to distributed data (surface and satellite), build Web infrastructure to support data access, processing and analysis create tools for data processing and analysis foster air quality community collaboration and interoperability.

Falke, Stefan↗

TPSAS-NF1676L-17867-DND

In response to the exponential growth in science data analysis and visualization capabilities, data centers have been developing new processes to package and deliver large volumes of aggregated subsets of archived data. New standards are evolving to help data providers and application programmers manage the growing needs of the science community. These standards evolve from the best practices gleaned from new products and capabilities. The NASA Atmospheric Sciences Data Center (ASDC) has developed and deployed production provider-specific search and subset web applications for the CALIPSO, CERES, TES, and MOPITT missions. This presentation explores a CERES CCCM (CALIPSO, CloudSat, CERES, MODIS) data validation use case that leverages aggregated subset results from CERES CCCM (Level2), CERES SSF (Level2), and CALIPSO LIDAR (Level) datasets. Additionally, it examines the standards and formats that ASDC developers have applied to the delivered files as well as the implementation strategies for subsetting and processing the aggregated products.

Walter E Baskin↗

Achieving Global Consensus on Acceptable Sound Levels for Overland Supersonic Flight

The National Aeronautics and Space Administration has made a commitment to deliver to the International Civil Aviation Organization’s Committee on Aviation Environmental Protection (ICAO CAEP) data defining community response to sounds from supersonic aircraft designed such that their sonic boom is replaced with a soft “thump” sound. The dataset will be a correlation of public perceptions of these sounds to the corresponding acoustic levels. The data will support efforts to develop international standards for permissible noise from supersonic overflight. NASA is planning and preparing for a series of community overflight tests with the X-59, a unique research aircraft capable of generating the “sonic thump”. NASA will begin these tests in 2024. With an eye toward achieving global consensus for noise standards, NASA’s goal is that the community response data be as broadly representative of the response of the international population as possible. As such, NASA is engaging the international regulatory and research communities in both the planning and execution of these tests, through status briefings at ICAO CAEP-sponsored meetings and through workshops with international participation. As part of this outreach NASA held a virtual workshop in December 2021 focused on strategies and considerations for estimating noise exposure levels and conducting surveys to characterize community annoyance levels relative to the “thump” sounds. This paper will present an overview of NASA’s effort, with a focus on the plans and technical goals for the community response tests. In addition, results of the recent workshop will be briefed, including considerations and approaches for ensuring broad representativeness of results and approaches for estimation of the sound levels across the test community. Participant feedback from both the workshop and previous engagements will be discussed, along with how it is being addressed in NASA’s ongoing planning efforts.

Supersonic Flight↗

Review of Experimental Data for Validating Computer Codes Used in Shielding Calculations for Spent Fuel Storage and Transportation Systems

This report presents a review of available radiochemical assay data and shielding benchmarks applicable to spent nuclear fuel (SNF) shielding calculations. The relevant information reviewed herein includes the Spent Fuel Composition (SFCOMPO) database, the Shielding Integral Benchmark Archive and Database (SINBAD), the International Handbook of Evaluated Criticality Safety Benchmark Experiments, and published measurements of external dose rates of casks loaded with SNF. The relevant experimental data identified in this report may be used to support verification and validation of computer codes used in SNF cask/transport shielding applications, as well as development of calculation uncertainties. It should be noted that a relatively small subset of the identified experimental data (e.g., criticality alarm experiments) is available in a standard format established by the international community participating in experimental isotopic and shielding data evaluations. An effort of the SFCOMPO Technical Review Group (TRG) is underway to publish first isotopic evaluations of individual assay data using a standard data evaluation format. The SINBAD TRG has recently initiated benchmark evaluations and modernization of the database. Therefore, more relevant information is expected in the future that will enable users to select quality experimental data in depletion code and shielding code validations for SNF applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

Examining Mars with SPICE

The International Mars Conference highlights the wealth of scientific data now and soon to be acquired from an international armada of Mars-bound robotic spacecraft. Underlying the planning and interpretation of these scientific observations around and upon Mars are ancillary data and associated software needed to deal with trajectories or locations, instrument pointing, timing and Mars cartographic models. The NASA planetary community has adopted the SPICE system of ancillary data standards and allied tools to fill the need for consistent, reliable access to these basic data and a near limitless range of derived parameters. After substantial rapid growth in its formative years, the SPICE system continues to evolve today to meet new needs and improve ease of use. Adaptations to handle landers and rovers were prototyped on the Mars pathfinder mission and will next be used on Mars '01-'05. Incorporation of new methods to readily handle non-inertial reference frames has vastly extended the capability and simplified many computations. A translation of the SPICE Toolkit software suite to the C language has just been announced. To further support cartographic calculations associated with Mars exploration the SPICE developers at JPL have recently been asked by NASA to work with cartographers to develop standards and allied software for storing and accessing control net and shape model data sets; these will be highly integrated with existing SPICE components. NASA specifically supports the widest possible utilization of SPICE capabilities throughout the international space science community. With NASA backing the Russian Space Agency and Russian Academy of Science adopted the SPICE standards for the Mars 96 mission. The SPICE ephemeris component will shortly become the international standard for agencies using the Deep Space Network. U.S. and European scientists hope that ESA will employ SPICE standards on the Mars Express mission. SPICE is an open set of standards, and all related specifications and software are freely distributed around the world. This poster describes the current state of SPICE system development, with special emphasis on current and planned support for Mars exploration missions.

Acton, Charles H.↗

The Use of Gridded Fossil Fuel CO2 Emissions (FFCO2) Inventory for Climate Mitigation Applications: Errors, Uncertainties, and Current and Future Challenges

Emission Inventory (EI) is a fundamental tool to monitor global compliance of greenhouse gases (GHGs) emissions reduction actions. Inventory guidelines provide a best practice to help EI compilers to make comparable national emission estimates, in spite of the differences in data availability across countries and regions. There are a variety of sources of errors and uncertainties, however, that originate beyond what the inventory guidelines define. For example, spatially-explicit EIs, which are a key product for atmospheric modeling applications, are often developed for research purposes, and there are no specific guidelines to disaggregate emission estimates from country scale. On top of that, EIs are fundamentally prone to systematic biases due to the simple calculation methodology and thus an objective evaluation (e.g. atmospheric top-down estimates) is needed to assure the accuracy of the estimates. ODIAC is a global high-resolution (1x1 km) fossil fuel carbon dioxide (CO2) gridded EI that is now often used in atmospheric CO2 modeling. ODIAC is based on disaggregation of national emission estimates made by CDIAC, which is the well accepted standard in the community. The ODIAC emission data product is updated on an annual basis using best available statistical data. Subnational spatial emission patterns are estimated using power plant profiles and satellite-observations of nighttime lights. In addition to the conventional CDIAC gridded data product, ODIAC carries international bunker emissions (shipping and aviation), which allows flux inversion modelers to accurately impose the global total fossil fuel emissions and their horizontal and vertical distribution. We have extensively evaluated ODIAC emissions using fine-grained EIs as well as a high-resolution atmospheric model simulation across different scales (national, subnational/regional, and urban policy relevant) with a focus on the uncertainties associated with the emission disaggregation. We have examined the use of NASA's Black Marble Suomi-NPP/VIIRS nightlight data.

Oda, Tomohiro↗

Developing a Standard for Earth Observation Data Preservation Content - A Path to Future Usability

For datasets to be usable, many pieces of information in addition to the data themselves are essential. During the active parts of the lifecycle of dataset generating projects, the needed information is usually accessible through individuals familiar with the various aspects of the projects. However, the utility of datasets tends to outlive the lives of projects, by several decades in many cases. Thus it is essential to capture all the relevant information about the datasets, data, metadata and associate knowledge that is sufficient to read, understand, interpret and reuse the datasets, while the projects are still active. The capture and preservation should be such that the data are usable when no consultation is available from the original project participants. Identification of specific categories of content through an international standard is beneficial to the user communities of the future, so that projects involving Earth observations and generating data products can consistently plan for preservation and future usability of the project outcomes. While there are existing standards that address archival and preservation in general, there are no existing international standards or specifications today to address what content should be preserved. The standard, ISO 19165-1, titled "Geographic Information - Preservation of digital data and metadata Part 1: Fundamentals" considers geographic information preservation in general. It acknowledges that "specific content items needed to preserve the full provenance and context of the data and associated metadata depend on the needs of the designated community and types of datasets (e.g., maps, remotely sensed data from satellites and airborne instruments, physical samples). Follow-up parts to this standard may be developed detailing content items appropriate to individual disciplines." NASA proposed an extension to this standard, titled "Geographic information -- Preservation of digital data and metadata -- Part 2: Content specifications for Earth observation data and derived digital products." The development of this extension is in progress with participation by an international team representing nine countries. The purpose of this paper is to introduce this standard and report on its status.

Remote Sensing; Data Systems; Open Data;↗

Enabling Exchange and Adequate Use of Data for Observation Based Atmospheric Research

Systematic long-term field observations have played a vital role in advancing atmospheric research over the past several decades. The use of these observations has expanded from primarily characterizing atmospheric processes and trends to evaluating satellite measurements, assessing models, and improving air quality forecasts. Consequently, the demand for atmospheric chemistry observational data have dramatically increased in terms of scope and coverage of measurements (i.e., parameters/species, spatiotemporal extent). In addition to high quality measurements, certain data reporting standards need to be agreed to ensure the data can be readily exchanged and are sufficiently documented to enable adequate use in different research activities. To this end, WMO has developed and implemented measurement guidelines and community practices for meteorology, climatology, atmospheric and hydrological sciences. In addition, the WMO Expert Team on Metadata Standards manages and evolves the existing metadata standards for the WMO Information System WIS and WMO Integrated Global Observing System WIGOS to support consistent and interoperable data descriptions, ensure relevance to research, and to apply data science principles. This team draws on a wide range of expertise from the research community, including atmospheric measurements, modeling, data management, and data science. The current activities include development of key performance indicators, vocabularies for metadata and the evolution of metadata standards to lower the barrier of application to weather/climate/water/environment data for all communities and the weather enterprise. This presentation intends to promote awareness of ongoing progress and actively solicit community feedback.

Field Observations↗

A practical approach to using the Genomic Standards Consortium MIxS reporting standard for comparative genomics and metagenomics

Comparative analysis of (meta)genomes necessitates aggregation, integration, and synthesis of well-annotated data using standards. The Genomic Standards Consortium (GSC) collaborates with the research community to develop and maintain the Minimal Information about any (x) Sequence (MIxS) reporting standard for genomic data. To facilitate use of the GSC’s MIxS reporting standard, we provide a description of the structure and terminology, how to navigate ontologies for required terms in MIxS, and demonstrate practical usage through a soil metagenome example.

standards, metadata, genome, metagenome, schema, v↗

PDS4: Developing the Next Generation Planetary Data System

The Planetary Data System (PDS) is in the midst of a major upgrade to its system. This upgrade is a critical modernization of the PDS as it prepares to support the future needs of both the mission and scientific community. It entails improvements to the software system and the data standards, capitalizing on newer, data system approaches. The upgrade is important not only for the purpose of capturing results from NASA planetary science missions, but also for improving standards and interoperability among international planetary science data archives. As the demands of the missions and science community increase, PDS is positioning itself to evolve and meet those demands.

Crichton, D.↗

Supporting Responsible Machine Learning in Heliophysics

Over the last decade, Heliophysics researchers have increasingly adopted a variety of machine learning methods such as artificial neural networks, decision trees, and clustering algorithms into their workflow. Adoption of these advanced data science methods had quickly outpaced institutional response, but many professional organizations such as the European Commission, the National Aeronautics and Space Administration (NASA), and the American Geophysical Union have now issued (or will soon issue) standards for artificial intelligence and machine learning that will impact scientific research. These standards add further (necessary) burdens on the individual researcher who must now prepare the public release of data and code in addition to traditional paper writing. Support for these is not reflected in the current state of institutional support, community practices, or governance systems. We examine here some of these principles and how our institutions and community can promote their successful adoption within the Heliophysics discipline.

Machine learning↗

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era.This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

Ren, Weiju↗

Comparative clumped isotope temperature relationships in freshwater carbonates

Lacustrine, riverine and spring carbonates represent archives of terrestrial climates and their geochemistry has been used to study palaeoenvironments. Clumped isotope thermometry is an emerging tool that has been applied to freshwater carbonates. Limited work has been done to evaluate comparative relationships between clumped isotopes and temperature in different types of modern freshwater carbonates. This study assembles an extensive calibration data set with 135 samples of modern freshwater carbonates from 96 sites and constrains the relationship between independent observations of water temperature and the clumped isotopic composition of carbonates (denoted by Δ 47 ), including new measurements, and recalculates published data in accordance with current community-defined standard values. For temperature reconstruction, the study reports a composite freshwater calibration and material-specific calibrations for biogenic carbonates (freshwater gastropods and bivalves), fine-grained carbonate (e.g. micrites), biologically mediated carbonates (microbialites and tufas) and travertines. Material-specific calibration trends show a convergence of slopes that are in agreement with recently published syntheses, but statistically significant differences in intercepts occur between some materials (e.g. some biogenics, fine-grained carbonates). These differences may arise due to unresolved seasonal biases, kinetic isotope effects and/or varying degrees of biological influence. The impact of different calibrations is shown through application to new data for glacial and deglacial age travertines from Austria and published data sets. While material-specific calibrations may yield more accurate results for biogenic and fine-grained carbonate samples, the use of material-specific and the composite freshwater calibrations generally produces values within 1.0–1.5°C of each other, and typically fall within calibration uncertainty given limitations of precision.

54 ENVIRONMENTAL SCIENCES↗

Modeling Measurement Error in Dose-Response Models of Community Annoyance to Low-Noise Supersonic Flight

The primary research goal of the forthcoming NASA Quesst mission community test campaign is to collect representative community response data in support of the development of supersonic overflight noise certification standards. Beginning in 2026, NASA will fly the novel X-59 demonstrator aircraft over select communities in United States in order to demonstrate the possibility of low-noise supersonic flight over land and to collect objective measurements and subjective data on the perceptual experience of this new noise source. It is believed that a regression of a binary perceptual response (‘highly annoyed’ or ‘not’) on estimated noise levels (doses, measured in decibels) will provide a useful dose-response relationship for regulators. However, as these estimated doses will be subject to measurement error, naïve estimators of regression coefficients are inconsistent and slopes may be subject to attenuation bias. In this presentation, I contrast functional modeling of measurement error via simulation extrapolation (SIMEX) with structural Bayesian measurement error models. These methods are applied to available data collected during two NASA risk reduction studies in California in 2011 and Texas in 2018. I’ll conclude noting that in the presence of nonnegligible measurement errors, probabilities of annoyance may be overpredicted for low noise levels and underpredicted for high noise levels, therefore, methods of correcting for measurement error will be necessary to improve the utility of the dose-response relationship for policy-making purposes.

simulation↗