Introduction to PSDI & Associated Interoperability Projects for MADICES
Abstract
Presentation by Dr Samantha Pearman-Kanza on: Introduction to PSDI & Associated Interoperability Projects, for MADICES (Machine Actionable Data Interoperability for Chemical Sciences). This presentation provided an overview of PSDI (The Physical Sciences Data Infrastructure) to the MADICES community, and introduced a number of relevant PSDI projects/services/resources/initatives that are relevant to interoperability in the chemical sciences.
Full text
https://www.psdi.ac.uk/ Introduction to PSDI & Associated Interoperability Projects MADICES 2025 20th October 2025 Dr Samantha Pearman-Kanza University of Southampton
The Aim PSDI will provide A data infrastructure that connects existing experimental and computational facilities within Physical Sciences and beyond Supporting Chemistry, Materials and related disciplines A platform for data collection, sharing, aggregation, integration and curation Supporting analysis across experimental, simulation and reference data Findable, Accessible, Interoperable, and Reusable data through tools and standards. Sustainable Data Practices supporting beyond the lifespan of individual research projects
PSDI Principles Connecting existing infrastructures Workflows to connect between systems National and international collaboration Best use of data Find Data across multiple data sources (reference, experimental, simulation) Better structured data & metadata Reproducible data processing workflows Best use of people Community co-ordination Build skills and providing training Support and sharing guidance Best use of technology Deploying extensible tools and services Use of standards and ontologies
Community Involvement If you want to get involved with PSDI contact [email protected] or speak to us today!
PSDI Contributions to Digital Data Standards Providing cross-domain data services like cross-data search portals, data repositories, conversion tools, and interactive training environments Comprehensive Data Services Creating knowledge bases, case studies, and best practice guides to support community learning Community Learning and Resources Engaging with international initiatives and partners for data standards development, alignment and implementation Global Collaborations Focus on metadata quality, semantic interoperability, and standards validation Standards and Interoperability
STANDARDS SERVICES RESEARCH GUIDANCE & TRAINING PSDI Interoperability Work
Research – FAIR ELNs 01 02 03 MAKING ELNS FAIR FOR INTERNAL USE Configure ELNs to capture metadata that supports findability and interoperability, using autofilled fields, tagging, and access controls for easy data discovery and sharing CREATING FAIR DATA WITHIN THE ELN Embed FAIR principles into ELN workflows. Work with users and domain experts to define what data needs to be captured and how, ensuring consistency and relevance SUPPORTING FAIR PUBLISHING & SHARING FAIR sharing needs data to be exportable in usable formats with rich metadata, stored in accessible repositories. Training and support— ideally from data stewards—help researchers publish data effectively
01 03 02 04 PROJECT GOAL RESEARCH QUESTIONS RESEARCH OBJECTIVES KEY CHALLENGES ELN Interoperability Research with AIChemy & Data Revival
Data Revival Service PSDI is providing a free version of the Data Revival Software This can be used to scan your handwritten lab book pages and turn them into machine-readable data Remember: Even if you implement digital notetaking tomorrow, there will still be a considerable amount of legacy data that may require digitisation Semantic Search Relational links across chemistry data Convert into machinereadable content High degree of accuracy Scan in paper lab notebook pages
PSDI Guidance & Training Guidance Metadata: https://guidance.psdi.ac.uk/docusauruspages/docs/category/psdi-metadata Research Data Management: https://guidance.psdi.ac.uk/docusauruspages/docs/category/research-data-management Sharing Data & FAIR: https://guidance.psdi.ac.uk/docusauruspages/docs/category/sharing-data-and-fair Training Galaxy RO-Crate Mini Tutorials: https://guidance.psdi.ac.uk/docusaurus-pages/docs/training/selfpaced-learning/galaxy-ro-crate/ Research Data Management Training: https://learn.psdi.ac.uk/moodle/course/view.php?name=rdm In Person Training: Regular in person-training opportunities. Data Management Plan Workshop at IDCC 2026!
Getting involved with PSDI @PSDI_UK PSDIUK @PSDI_UK @psdi-uk.bsky.social https://www.jiscmail.ac.uk/PSDI www.psdi.ac.uk @[email protected] Join our mailing list!