e Crystals Federation Open Repositories for global Open

e. Crystals Federation: Open Repositories for global Open Science Dr Liz Lyon, UKOLN, University of Bath, UK Dr Simon Coles, University of Southampton, UK DRIVER Summit, Gottingen, January 2008 This work is licensed under a Creative Commons Licence Attribution-Share. Alike 3. 0 http: //creativecommons. org/licenses/by-sa/3. 0/ Federation

Open Science Millennials as native data scientists Social networks for scientists Second Life: virtual worlds Community repositories for data Tagging and sharing workflows Open Notebook Science (ONS)

Big versus Small Science “Data from experiments conducted as recently as six months ago might be suddenly deemed important, but those researchers may never find those numbers – or if they did might not know what those numbers meant” “Lost in some research assistant’s computer, the data are often irretrievable or an undecipherable string of digits” “To vet experiments, correct errors, or find new breakthroughs, scientists desperately need better ways to store and retrieve research data” “Data from Big Science is … easier to handle, understand archive. Small Science is horribly heterogeneous and far more vast. In time Small Science will generate 2 -3 times more data than Big Science. ” ‘Lost in a Sea of Science Data’ S. Carlson, The Chronicle of Higher Education (23/06/2006)

wikis Blogs / social networks Repository networks Harvest Aggregators Open “Publication”

e. Bank Project – building the e. Crystals Data Repository Started Sept 2003 3 Phases development UKOLN-led interdisciplinary team e. Prints platform @ Southampton Institutional Repository exemplar Embedded in workflow http: //ecrystals. chem. soton. ac. uk

Repository Foundations • Using Learned society + subject repository support simple Dublin Core • Crystal structure • Title (Systematic IUPAC Name) • Authors • Affiliation • Creation Date • Additional chemical information through Qualified Dublin Core • Empirical formula • International Chemical Identifier (In. Ch. I) • Compound Class & Keywords • Specifies which ‘datasets’ are present in an entry • Application Profile http: //www. ukoln. ac. uk/projects/ebank-uk/schemas/ • DOI links http: //dx. doi. org/10. 1594/ecrystals. chem. soton. ac. uk/145 • Rights & Citation http: //ecrystals. chem. soton. ac. uk/rights. html

Funder Scientist Create Deposit Data centres / aggregator services Advisory IR Federation Curate Policy Preserve Advocacy Standards Training Collaborate Share Harvest Link Discover Re-use Link e. Crystals Federation Data Deposit Model (based on model in Dealing with Data Report UKOLN 2007) Publishers User Link

Federation interoperability & linking services • Roll-out in 2 phases led by University of Southampton – Universities Sydney, Glasgow, Newcastle with eprints. org platform Version 3. 0 – Universities Cambridge, STFC, Reciprocal. Net, ARCHER with other platforms – Establish Federation policies, application profile, mappings • Bi-directional links with derived articles in “publisher repositories”, IUCr, Royal Society of Chemistry (RSC), Chemistry Central • St. ORe. Link project proposal - Test linking options: St. ORe middleware and CLADDIER • OAI-ORE Testbed e. Chemistry project • Project PROSPECT – sharing & integrating ontologies

Laboratory practice & workflow • Community standard CIF • Mixed lab practice – central service facility versus single “staff crystallographer” in department • Achieve end-to-end workflow • Challenge of instrument manufacturers with proprietary formats • “Repository Lite” for smaller lab operations? X-ray diffractometers

e. Bank-UK Phase 3 Curation & Preservation Study http: //www. ukoln. ac. uk/projects/ebankuk/curation/ Examined four main areas 1. Audit and certification (TRAC, DRAMBORA, NESTOR, ISO International repository audit and certification BOF Group) 2. The Open Archival Information System (OAIS) and Representation Information (RI) 3. e. Bank-UK application profile and preservation metadata 4. e. Prints. org repository platform Recommendations: Self-assessment using DRAMBORA Consider Representation Information in wider context Develop preservation strategy Capture preservation metadata PREMIS

e. Crystals Federation preservation & sustainability Data repositories • Use DRAMBORA Interactive • Add PREMIS preservation metadata • Populate RRo. RI with e. Crystals representation information • Examine repository platform conformance to OAIS Ref Model • Survey partner preservation policies Business models? • Alignment with experimental services • Hosting service • Validation service

Questions? Slides will be available at : http: //wiki. ecrystals. chem. soton. ac. uk/index. php http: //www. ukoln. ac. uk/ukoln/staff/e. j. lyon/presentations. html This work is licensed under a Creative Commons Licence Attribution-Share. Alike 3. 0 http: //creativecommons. org/licenses/by-sa/3. 0/ Federation