HeFDI Data Talk: NFDI4Chem Core Repositories and RADAR4Chem

HeFDI Data Talk Abstract: As part of the National Research Data Infrastructure (NFDI), the NFDI4Chem consortium has the vision to enable all chemists to collect, store, process, analyse, publish and re-use FAIR research data in chemistry. This talk introduces you to the Task Area "Repositories" and the various trusted and chemistry-friendly NFDI4Chem core repositories. A focus is then laid on RADAR4Chem, a low-threshold and easy-to use service for sustainable publication and preservation of research data from all disciplines of chemistry, including datasets with different data types or multidisciplinary datasets. It is based on the well-established data repository RADAR run by FIZ Karlsruhe -Leibniz Institute for Information Infrastructure and offers free publication for any data type and format according to the FAIR principles, independent of the researcher´s institutional affiliation. Through persistent identifiers (DOI) and a guaranteed retention period of at least 25 years, the research data remain available, citable and findable long-term. About the HeFDI Data Talks: The HeFDI Data Talks are abi-weekly open information and discussion event focused on data management in the context of science, in which relevant NFDI consortia as well as research data management services present themselves.The series discusses current topics and presents numerous – including local and regional –tools and services.The HeFDI Data Talks are an offer of the HeFDI Initiative (Landesinitiative HeFDI), which is funded by the Hessian Ministry of Higher Education, Research, Science and the Arts (HMWK). DOI link:https://doi.org/10.5281/zenodo.14184982;License information:Creative Commons Attribution 4.0 International (CC BY 4.0) Date Topic Presenter(s) 15 November 2024 NFDI4Chem Core Repositories and RADAR4Chem Kerstin Soltau & Christian Bonatto Minella (FIZ Karlsruhe -Leibniz Institute for Information Infrastructure) gefördert durch Kerstin Soltau, Christian Bonatto Minella HeFDI Data Talks 15. November 2024 NFDI4Chem Core Repositories and RADAR4Chem 1 SmartLab Ontologies 4Chem Community 4Chem Legal 4Chem Standards 4Chem Editors 4Chem Repos 4Chem CC BY 4.0 ©NFDI4Chem Outline ⬝Introduction on NFDI4Chem ⬝NFDI4Chem - Task Area 3 (Repositories) ⬝RADAR4Chem - Introduction ⬝RADAR4Chem - Online Presentation (as time allows) 2 ⬝Founded in 2018 – funded by federal government and states ⬝Main goal: improvement and creation of Research Data Infrastructure & Management. Provision of tools, trainings and initiation of cultural change. ⬝Part of federal governments digitalisation strategy Numbers •Up to 30 consortia in NFDI representing sciences •Community-driven process •Funding of €70m per year in the final stage with 30 consortia. •~ €2.3m per year for each consortium for 5 years (+5 years) Introduction videos by DFG https://www.youtube.com/watch?v=uJ01g9m8uE4 https://www.youtube.com/watch?v=qyKIfC1crjw National Research Data Infrastructure 3 NFDI Consortia Natural Sciences Life Sciences Engineering Sciences Humanities and Social Sciences 4 NFDI4Chem – who are we? Publishers Learned Societies Research Community Research Data Infrastructure Advisory Boards Industry 5 NFDI4Chem and its partners 6 International Network 7 NFDI4Chem is embedded in an international context 8 Status Quo Analogue / Digital Not machine readable Digital 15 VibSpec DB NOMAD CSD Process & Analytics Spectroscopy Subdomain specific Multidisciplinary Associated Repositories Core Repositories Federation of repositories in NFDI4Chem 16 VibSpec DB NOMAD CSD Process & Analytics Spectroscopy Subdomain specific Multidisciplinary Associated Repositories Core Repositories ●Continuous Evaluation ●Onboarding of new Repositories ●Internationalisation Federation of repositories in NFDI4Chem Selection process for the NFDI4Chem Repositories 17 Bonatto Minella, C.et al. (2023). Analysis of the Landscape of Repositories for Chemistry in re3data. Zenodo. https://doi.org/10.5281/zenodo.8347993 Filters for selection: -Worldwide -Chemistry -DB access: open -Raw data -English language -Raw data ingestion -Open raw data submission -Submission always possible 18 Finding the perfect fit https://knowledgebase.nfdi4chem.de/knowledge_base/docs/pub_data_types_formats/ https://knowledgebase.nfdi4chem.de/knowledge_base/docs/choose_repository/ As NFDI4Chem core repository, RADAR4Chem is part of… •NFDI4Chem Knowledge Base •NFDI4Chem collection •NFDI4Chem Search Service 19 RADAR4Chem: NFDI4Chem Knowledge Base NFDI4Chem Knowledge Base: https://knowledgebase.nfdi4chem.de/knowledg e_base/de/docs/choose_repository/ •Decision tree to quickly select a suitable repository for your data •Profile sheets for core and associated repositories 20 RADAR4Chem: NFDI4Chem Knowledge Base NFDI4Chem Knowledge Base: https://knowledgebase.nfdi4chem.de/knowledg e_base/de/docs/choose_repository/ •Decision tree to quickly select a suitable repository for your data •Profile sheets for core and associated repositories 21 RADAR4Chem: NFDI4Chem FAIRsharing collection 22 https://fairsharing.org/5027 Relation graph RADAR4Chem connected to NFDI4Chem Search 23 Search Service ●The TIB-Search Service is the central hub for searching the federated repositories of NFDI4Chem ●Currently includes ~140.000 datasets (Chemotion, MassBank, nmrXiv, DaRUS, RADAR4Chem) ●Enables searches by chemical structure codes (e.g. InChI, molecules and analytical methods) ●Features are continuously adapted to the latest MIChi and metadata schema releases NFDI4Chem: NFDI4Chem Search Service Available: https://search.nfdi4chem.de/ RADAR4Chem 24 RADAR4Chem: 2-step data upload 31 RADAR4Chem: Metadata annotation 32 ●MD Annotation via ○Editor, XML Upload and RADAR API ●MD Annotation on level of ○dataset, folder and file ●Generic RADAR Metadata Schema ○bases on DataCite Kernel 4.4 ○10 mandatory, 13 optional fields ●Combination of free text and controlled vocabulary, standardized or authority data ○Persons ○Organizations ○Funders ○Keywords ●Subject specific Schemata RADAR4Chem: Metadata annotation 33 10 mandatory elements: Identifier (DOI) Creator Title Publisher Production year or time span Publication year Subject area Resource Rights Rightsholder 13 optional elements: Additional title Contributor Description Keyword Language Alternative identifier Related identifier Geo location Data source Software type Data processing Related information Funder RADAR Metadata Schema v9.1, bases on DataCite MD Kernel 4.4 https://radar.products.fiz-karlsruhe.de/en/radarfeatures/radar-metadatenschema DOI is automatically assigned Select from > 20 license types to define reuse Link to other digital resources Or: Reserve in advance Enhanced F-UJI Scores up to 87% ! e.g. DOI 10.22000/1752 RADAR4Chem: Enhanced FAIRness Participation in “FAIRness Assessment Challenge” ●FAIR-IMPACT project (EU) support offer. ●Maximise the FAIRness of data publications based on Data Object Assessment Metrics by FAIRsFAIR project (EU) with help of F-UJI web service. FAIR Implementation story: Soltau, K., Hofmann, S., Jasinska, A., & Linés, C. (2024, Juli 23). FAIRness assessment as a catalyst of chemistry research repository transformation in Germany. Zenodo. https://doi.org/10.5281/zenodo.13135009 F-UJI result for DOI 10.22000/1752 (15.11.2024) RADAR: recommended by Wiley journal Since August 2023 RADAR is listed as recommended generic or multidisciplinary repository for the journal "Angewandte Chemie - International Edition". This success is the result of NFDI4Chem´s activities in the "Editors4Chem" initiative. Author Guidelines: 35 https://onlinelibrary.wiley.com/page/journal/15213773/ homepage/notice-to-authors#sectGDataDeposition How can I use RADAR4Chem? /1 Contact RADAR4Chem Team at FIZ Karlsruhe: [email protected] •state your subject area and institution •describe your research project and dataset planned for publication (e.g. size, number of files, file format(s), planned publication date) RADAR Team advises you and •sets up a separate workspace for you in RADAR4Chem (max. 10 GB per research project - not as technical limit!) •authorizes you as data provider (“curator”) in this workspace 36 How can I use RADAR4Chem? /2 You as RADAR4Chem data provider (curator): •log in to https://radar4chem.radar-service.eu/ •upload research data (First upload: online consent to the RADAR4Chem License and User Instructions is obligate) • annotate with metadata • optionally let review the data by external reviewers • publish dataset Research teams can also use RADAR4Chem: •RADAR rights & role model allows to define workflows! • Curators can assign subcurators, who only can upload and annotate data - but cannot publish data. 37 https://radar.products.fiz-karlsruhe.de/sites/default/fil es/radar/docs/terms/License_and_User_Instructions _for_Data_Providers_RADAR4Chem.pdf RADAR4Chem: Support Material Quickstart Guide offering step-by-step instructions is available on RADAR 4Chem Website: https://radar.products.fiz-karlsruhe.de/sites/default/files/rada r/docs/info/RADAR4Chem_QuickstartGuide.pdf 38 RADAR4Chem contacts RADAR4Chem FIZ Karlsruhe – Leibniz-Institut für Informationsinfrastruktur Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Tel. +49 7247 808-841 [email protected] https://radar4chem.radar-service.eu @RADAR_Service @[email protected] 39 Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4/1 – Project number 441958208 (NFDI4Chem).