Forti, Mariano

Gedsun, Angelika

Hammerschmidt, Thomas

Olbricht, Jürgen

Shakeel, Yusra

Skrotzki, Birgit

Stotzka, Rainer

Ávila, Luis A. Calderón

English

KITopen

Demonstration of the Infrastructure Use Case 02 Framework for curation and distribution of reference datasetsContributors:Thomas Hammerschmidt, Mariano Forti, Luis Ávila, Jürgen Olbricht, Birgit Skrotzki, Anika Lenze, Angelika Gedsun, Tilmann Hickel, Hanna Tsybenko, Mirek Chmielowski, Sirieam Hunke, Yusra Shakeel, Rainer StotzkaIntroduction and Motivation● User/User Journey: Research task could be alloy design, optimization of mechanical properties (chemical composition, heat treatment strategy)● Data available: Normal’ data set (DS) e.g. from SFB/TRR 103 vs. reference data set (RDS) e.g. from BAM● A RDS would be a DS used○ as high quality data to correlate material properties and serve as baseline for the optimization process○ to calibrate the experiments in the own lab● Requirements (contents, shape, FAIR, accessibility)• and Motivation“The aim of IUC2 is to develop a framework for reference material data sets using creep properties of single- & polycrystalline Ni-based superalloy as example.”https://nfdi-matwerk.de/infrastructure-use-cases/iuc02-framework-for-curation-and-distribution-of-reference-datasets28.06.2023 Creep Reference Data 2Demonstrator at the booth at marketplace: GitLab (Notebook with data)User Journey: https://app.conceptboard.com/board/x7zn-2yq0-eabn-piic-dbiucreep data for different superalloys(Horst et al, Superalloys 2020)IUC02 - Overview28.06.2023 Creep Reference Data 3“develop a framework for reference material data sets”Reference Data Set● Definition, criteria for reference data (material, equipment, procedures, results) ● … Community process needed → Poster● Curation processUser/Usage Analytics● Testing laboratories● ResearchersPossible uses● Comparison of data for interpretation of individual measurement results● Calibration/verification of measurement devices● … Community process needed → Poster Different user cases derive different requirement profiles (for content and shape of data)Creating the reference datasetContent: ● MSE perspective or “Fit for purpose”1● Agreement on content based on input from domain expertsShape: ● RDM perspective or “Fit for use”1● Creation, structuring and distribution of (creep) (meta)data: FAIR DOsDistribution/Publishing of the Reference Data Set● Ontology, Licensing, DOI1 Ariza, Angela et al., Datennachnutzung in der Praxis; DOI: 10.5281/zenodo.7568266Agreement and Data Structuring28.06.2023 Creep Reference Data 4● Agreement on:○ (meta)data and documentation, considering the existing datasets (BAM, RUB, SFB/TR 103)○ data structure and vocabulary (ISO 204-standard on creep testing)○ a “rating” of the (meta)data to define quality requirements in terms of contents● Vision: Creation (a) data schema template(s) or check lists to be used by the community (to generate RDS)Shaping Exemplary Data Set: FAIR Digital Object28.06.2023 Creep Reference Data 5Data object● Link to the locatione.g. storage location of the data file● Link(s) to metadata object(s)● PID● Type● ….FAIR Digital Object:● Representation of data● Contains all information towards FAIR● Conception: technology agnostic● Bridges between data repositories,disciplines, etc.● Implementation○ Handle PID○ Information RecordMetadata object● Link to the location e.g. storage location of the metadata document● PID● Type● ….DataMetadataPID PID Profile TypeLocation URL. . . Exemplary RDM Reference Data Set: Technical Process Overview28.06.2023 Creep Reference Data 6Towards Ontology for Creep Data (Reference Data Set)Ongoing work28.06.2023 Creep Reference Data 7• Domain: MSE (High temperature application/ creep testing)• Requirements: • Representation of creep testing in a conceptual way  for a reference material and based on a testing standard/norm user can transfer the concepts in their own work• Status: Metadata annotation /agreement on controlled vocabulary (with BAM/RUB)• Reuse: • NFDIcore• PMDcore Ontology on tensile testingKey Takeaway28.06.2023 Creep Reference Data 8USERData is producedDefine criteria for RDS and verifyAgreement on contentData Structuring Creating FDO(s)Publish/Distribute dataUser JourneyBack-Up slides928.06.2023 Creep Reference DataApplication for data schema and control vocabulary28.06.2023 Creep Reference Data 10A reference dataset is available. It provides:• Data schema• Example dataA group wants to publish data related to previous publication. They follow the next steps:• get the data schema• Prepare their data for schema compatibility• Fill the data schema with their data• compare the data with reference dataset to check completenessApplication for data schema and control vocabularyData schema / vocabulary from experts Structured reference dataReference dataNotebook 00_GetSchemaNotebook 01_BAM_to_schema+28.06.2023 Creep Reference Data 11Application for data schema and control vocabulary28.06.2023 Creep Reference Data 12Data from working groupMappingsdata schema / data structure Structured user dataNotebook 02_GetRubTablesNotebook 03_Rub_to_schemaApplication for data schema and control vocabulary28.06.2023 Creep Reference Data 13User  1 data User 2 data Direct comparison of data (automated)+Notebook 04_CompareDataSourcesDemonstrator sche28.06.2023 Creep Reference Data 14RUB uses/evaluates the reference dataUser Journey→ User’s experience told by means of User Journeyconsidering researcher‘s and data stages, researcher‘s goals and actions, etcJupyter to merge the diff. datasetsset requirements toconstrains?Merging of the vocabulary (diff. data entries), GlossaryJupyter to access? + read + analyze data (multiple datasets possible)Jupyter to fill schemaUser Journey:https://app.conceptboard.com/board/x7zn-2yq0-eabn-piic-dbiuBAM Creep reference data(NIMONIC 75, CMSX-6) .lis and .pdfsSummary28.06.2023 Creep Reference Data 15Definition of/criteria for reference dataCuration process, quality assuranceLaboratories producedataData structuring Creating the FAIR DOs Distribution of dataUser has a (research) question• via script or interface• Check against template/schema• specific new agreements might be necessary (e.g. for other material class)Agreement on data schema, thesaurus, ranking, quality levelsUser accesses and uses RDS to solve research question• license • DOI• FAIR DOs („metadata“)• Ontology• (log/processed data)• Create JSON Schema• Define metadata document• Adopt Kernel Information Profile• Create & resolve FDO

Demonstration of the Infrastructure Use Case 02: Framework for curation and distribution of reference datasets

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Demonstration of the Infrastructure Use Case 02: Framework for curation and distribution of reference datasets

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