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WorldFAIR Milestone 6, reported here, specifies work done and being undertaken for Deliverable 5.2 (due month 20), ‘Geochemistry Methodology and Outreach’, which has the following description: “This deliverable will outline the methodology used to develop and update FIPs and promulgate knowledge of them, including publishers to ensure the quality, interoperability and reusability of data in publications”. As geochemical data is collected on a diversity of natural and synthetic samples (rocks, sediments, minerals, fossils, meteorites, cosmic dust, fluids, gases, etc), from the Earth or other planetary bodies, there is an incredible range of analytical instruments used and hundreds of analytical techniques applied. This results in a community with many subdisciplines that produce typically ‘long tail’ data - data that are highly specific and small in volume. The community and the data produced are heterogeneous and overlaps of common minimum variables are scarce. We conclude that developing a single FAIR Implementation Profile (FIP) for all geochemical data will not be possible; rather, there will need to be multiple linked FIPs for geochemistry subdisciplines and at multiple levels of granularity. As a FIP is underpinned by FAIR Enabling Resources (FERs), many such FERs need to be publicly available or need to be published. By specifying any FER(s) that accompany each FAIR principle within the individual FIP, users of any geochemical dataset/database will have accurate documentation for each FAIR Principles, and thus enhance machine readability. This Milestone describes progress towards developing a methodology designed to assist in defining the individual FERs required to fully describe the minimum scientific and technical variables used to describe any geochemical analysis. These FERs will enable the generation of multiple FIPs, facilitating published results to be reproduced and shared globally with sufficient metadata to make any geochemical resource FAIR for both humans and machines. This Milestone report then discusses how the components of this methodology are being executed in the community, discusses resulting progress towards minimum common variables of samples, discusses how to make best practices for geochemical methods available online and specifies a set of vocabularies published to describe methodologies. Visit WorldFAIR online at http://worldfair-project.eu. WorldFAIR is funded by the EC HORIZON-WIDERA-2021-ERA-01-41 Coordination and Support Action under Grant Agreement No. 101058393. &nbsp

Over the last century enormous volumes of geochemical data have been acquired and thousands of globally distributed geochemical databases across the academic, government and industry sectors now exist. Unfortunately, there have been few efforts to standardise data or the diverse approaches for processing and modelling them, making it difficult to harness these data assets and contribute to global societal challenges (e.g., UN Sustainable Development Goals). OneGeochemistry is a new initiative that seeks to build and maintain consensus-driven standards to create a global network of findable and accessible geochemical data that is truly interoperable and reusable to both humans and machines. The highest priority is the development of internationally shared FAIR, machine-actionable vocabularies. Progressing towards community-agreed vocabularies, as well as their endorsement and governance, is difficult because geochemistry is spread across four science unions and tens of international/ national societies. Fortunately, geochemistry is one of eleven discipline case studies of the CODATA-led EU H2020 WorldFAIR project, which is exploring implementation of the FAIR principles across these case studies as well as leading the development of a global international framework for interdisciplinary interoperability and reusability of digital research objects. To start this process, four international geochemical databases (Astromat, AusGeochem, EarthChem, GEOROC) are now collaborating on a modular approach to develop shared terminologies. Where possible, terms from existing international vocabularies will be utilised (e.g., MINDAT, IUPAC chemical terminologies, DRUM). For remaining terms, local profiles will be published in Research Vocabularies Australia. The creation of a vocabularies record to be used by each database can converge databases to interoperability, with a vocabulary being a FAIR enabling resource (FER). FAIR Implementation Profiles are a tool to capture each of these FERs, and FER nanopublication URIs can help to enhance the machine readability and interoperability of local databases within a global network of geochemical data resources.

This is a flash presentation highlighting working with Geoscience data. It was presented at the “The IUPACWorldFAIRChemistry Webinar“What is a chemical? - Handling Chemical Data Across Disciplines”. The event was held on September 22, 2022, 12-1:30 pm EDT. The recording of the full webinar is available here *WorldFAIR “Global cooperation on FAIR data policy and practice” is funded by the EC HORIZON-WIDERA-2021-ERA-01-41 Coordination and Support Action under Grant Agreement No. 101058393.

This presentation was part of the Goldschmidt 2022 workshop “Earth Science meets Data Science: what are our needs for geochemical data, services and analytical capabilities in the 21st century?. It covers uses for geochemical data; the need for FAIR standards for geochemical data; the history of developing geochemistry standards so far; equivalent initiatives in climate, seismology, crystallography and pure and applied chemistry; proposed methods to develop the required standards through 'expert' communities; and an introduction to the CODATA-led WorldFAIR project: Global cooperation on FAIR data policy and practice.

Lightning talk for the US National Science Foundation CSSI PI Meeting, July 2022. The Internet of Samples (iSamples) is a multidisciplinary project developing transdisciplinary infrastructure services to identify material samples, record metadata about them, and link with other samples, derived data, and published research results. iSamples consists of two key components: iSamples-Core, a core data model and accompanying taxonomies providing a common, extensible mechanism for describing physical samples; and iSamples-in-a-Box (iSB), a containerized, standalone system that enables creation of identifiers and associated metadata, metadata management, sample identifier resolution, and discovery of samples. iSB is typically deployed in proximity with an existing collection to provide a common iSamples-Core view of physical sample records and expose consistent service interfaces to facilitate open human and programmatic access. iSB may be deployed in a hierarchy, with aggregator instances accumulating content, and further presenting that content to other instances. All instances provide common functionality and may be configured to support domain extensions to the iSamples-Core model. In this manner, the iSamples infrastructure provides a consistent, general view across all physical sample records, while also enabling domain specific views., Funded by the US National Science Foundation (CSSI) projects 2004815, 2004839, 2004562, and 2004642

Geochemical data are fundamental to understanding many planetary and environmental processes – yet in the absence of a community-endorsed data culture that adheres to common data standards, the geochemical data landscape is highly fragmented. The GEOROC and PetDB databases are leading, open-access resources for geochemical and isotopic rock and mineral data that have collaborated for nearly 25 years to provide researchers with access to large volumes of curated and harmonized data collections. PetDB is a global synthesis of published chemical, isotopic and mineralogical data for rocks, minerals and melt inclusions with a focus on data for igneous and metamorphic rocks from the ocean floor, ophiolites, xenolith samples from the Earth's mantle and lower crust and tephra, operated by the EarthChem data facility. Its counterpart, GEOROC hosts a collection of published analyses of volcanic and plutonic rocks, minerals and mantle xenoliths, predominantly derived from ocean islands and continental settings. These curated, domain-specific databases are increasingly valuable to data-driven and interdisciplinary research and form the basis of hundreds of new research articles each year across numerous earth data disciplines. Over the last two decades, both GEOROC and EarthChem have invested great efforts into operating data infrastructures for findable, accessible, interoperable and reusable data, while working together to develop and maintain the EarthChem Portal (ECP) as a global open data service to the geochemical, petrological, mineralogical and related communities. The ECP provides a single point of access to >30 million analytical values for >1 million samples, aggregated from independently operated databases (PetDB, NAVDAT, GEOROC, USGS, MetPetDB, DARWIN). Yet one crucial element of FAIR data is still largely missing: interoperability across different data systems, that allows data in separately curated databases, such as GEOROC and PetDB, to be integrated into comprehensive, global geochemical datasets. Both EarthChem and GEOROC have recently embarked on major new developments and upgrades to their systems to improve the interoperability of their data systems. The new Digital Geochemical Data Infrastructure (DIGIS) initiative for GEOROC 2.0 aims to develop a connected platform to meet future challenges of digital data-based research and provide advanced services to the community. EarthChem has been developing an API-driven architecture to align with growing demands for machine-readable, Analysis Ready Data (ARD). This has presented an opportunity to make the two data infrastructures more interoperable and complementary. EarthChem and DIGIS have committed to cooperation on system architecture design, data models, data curation, methodologies, best practices and standards for geochemistry. This cooperation will include: (a) joint research projects; (b) optimized coordination and alignment of technologies, procedures and community engagement; and (c) exchange of personnel, data, technology and information. The EarthChem-DIGIS collaboration integrates with the international OneGeochemistry initiative to create a global geochemical data network that facilitates and promotes discovery and access of geochemical data through coordination and collaboration among international geochemical data providers, in close dialogue with the scientific community and with journal publishers., Funded by German Research Foundation (DFG) through Scientific Library Services and Information Systems (LIS) programme: WO 362/53-1 - 437919684

of conference oral presentation on Advancing Interdisciplinary Collaboration between Natural History and Cultural Heritage Collections by Kerstin Lehnert of Columba University, United States for SPNHC2022 Conference, Edinburgh. June 5-10th 2022.

of conference poster on The New Partnership Between IGSN and DataCite: Leveraging Community of Communities on Physical Specimens and Samples by Kerstin Lehnert of Columba University Palisades United States for SPNHC2022 Conference, Edinburgh. June 5-10th 2022.

OneGeochemistry is an international collaboration between multiple national and international organisations that support geochemistry capability and data production. This document describes the interim governance of OneGeochemistry that will be valid until the network is formally constituted (planned for mid 2024).

Geochemical data have been collected since the 19th century and are essential for geoscientific research as well as contributing to solving societal issues. Typically local or regional questions are solved with single datasets that can be measured in megabytes. However, solving more complex research questions requires many datasets to be compiled into single large ones to find answers through multidimensional analyses, statistics, AI and ML. Compiling such collections to allow computations is often a painstakingly lengthy and manual process. Coming to an age in which we are dealing with global challenges, only large scale geochemical data collections can contribute to solving these. Projects such as EarthChem and GEOROC have come a long way and continue to set the bar. Whilst these projects have made geochemical data easily findable and accessible, interoperability to other global data systems is still lacking. To make these data truly FAIR, a minimum set of standards and best-practices for data publication need to be agreed on by the global geochemical community. And rather than re-inventing the wheel, we should follow the example of the highly standardized sample and data management strategies of, e.g., IODP cruises, NASA missions, or the seismology and OneGeology communities. The recently formed OneGeochemistry initiative aims to bring together and ensure that all decisions are made in conference with the international geochemical community. The large international societies will have to play a key role here, their message supported and amplified by funders and national initiatives across the globe.

IEDA2 represents a unique collaborative data infrastructure of 3 complementary data systems: EarthChem, LEPR/ traceDs (Library of Experimental Phase Relations), and the System for Earth Sample Registration (SESAR) that jointly support researchers in the Geosciences. IEDA2 helps researchers share and access sample data following the FAIR data principles, and ensures open, reproducible, and transparent science practices. IEDA2 provides a framework for data publication; data synthesis; human- and machine-readable data access that facilitates data mining and computational analysis; and a digital environment that links and integrates physical samples with the modern digital research data ecosystem. The vision for IEDA2 is to advance data-driven and computational methodologies in geochemistry, petrology, and volcanology, and to optimize (re)use and analysis of data, inform peer review, and guide future research directions. IEDA2 provides services for FAIR geochemical, geochronological, mineralogical, and petrological data with the EarthChem Library (ECL) and FAIR samples with the System for Earth Sample Registration SESAR. ECL and SESAR follow the TRUST principles for repositories, with services for online data submission, data templates, validation of data and metadata completeness, accuracy, and compliance; persistent identification (DOI, IGSN), moratorium periods, human- and machine-readable search and access interfaces, and long-term archiving. With renewed funding from the US NSF, IEDA2 will over the next 5 years focus on enabling user contributions to data synthesis; networking sample data resources; and enhancing usability while educating and engaging the ‘Next Generation’ of users and fostering a culture of collaboration and partnerships in the national and international Geoscience data space.

The poster presents Throughput, a tool to connect research data and code examples to improve learning opportunities and help build better documentation. This presentation was given during the 2022 ESIP January meeting held virtually in January 2022.