1. JISC Joint Programmes Meeting 20051 eBank UK : linking research data, learning and scholarly communications. Dr Liz Lyon, UKOLN, University of Bath Dr Simon Coles, School of Chemistry, University of Southampton

2. The wider context

3. JISC Joint Programmes Meeting 20053 Why create the e-Framework? The JISC strategic context Sarah Porter, 2005

4. JISC-funded content providers institutional content providers external content providers brokersaggregatorscataloguesindexes institutional portals subject portals learning management systems media-specific portals end-user desktop/browser presentation fusion provision OpenURL link servers shared infrastructure authentication/authorisation (Athens) institutional profiling services terminology services service registries identifier services metadata schema registries © Andy Powell (UKOLN, University of Bath), 2005 This work is licensed under a Creative Commons License Attribution-ShareAlike 2.0Creative Commons License JISC Information Environment architecture

5. JISC Joint Programmes Meeting 20055 Learning & Teaching workflows Research & e-Science workflows Aggregator services: national, commercial Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Resource discovery, linking, embedding Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Resource discovery, linking, embedding Deposit / self- archiving Learning object creation, re-use Searching, harvesting, embedding Quality assurance bodies Validation Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding The scholarly knowledge cycle. Liz Lyon, Ariadne, July 2003. This work is licensed under a Creative Commons License Attribution-ShareAlike 2.0Creative Commons License © Liz Lyon (UKOLN, University of Bath), 2005

6. JISC Joint Programmes Meeting 20056 Data Overload! How do we disseminate? EPSRC National Crystallography Service eScience - the data deluge

7. JISC Joint Programmes Meeting 20057

8. JISC Joint Programmes Meeting 20058 Learning & Teaching workflows Research & e-Science workflows Aggregator services: eBank UK Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Harvesting metadata Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Resource discovery, linking, embedding Deposit / self- archiving Peer-reviewed publications: journals, conference proceedings Publication Validation Data analysis, transformation, mining, modelling Resource discovery, linking, embedding Deposit / self- archiving Learning object creation, re-use Searching, harvesting, embedding Quality assurance bodies Validation Presentation services: subject, media-specific, data, commercial portals Resource discovery, linking, embedding

9. The eBank UK Project

10. JISC Joint Programmes Meeting 200510 eBank UK: background JISC-funded September 2003, Phase 2 February 2005 UKOLN at the University of Bath (lead), University of Southampton, University of Manchester Exemplar: e-Science testbed Combechem –Grid-enabled combinatorial chemistry –Crystallography, laser and surface chemistry examples –Development of an e-Lab using pervasive computing technology –National Crystallography Service Resource Discovery Network / PSIgate physical sciences portal http://www.ukoln.ac.uk/projects/ebank-uk/

11. JISC Joint Programmes Meeting 200511 The project team UKOLN Michael Day Monica Duke Rachel Heery Traugott Koch Liz Lyon + Andy Powell Southampton Les Carr Simon Coles Jeremy Frey Chris Gutteridge Mike Hursthouse Andrew Milstead Manchester John Blunden-Ellis

12. JISC Joint Programmes Meeting 200512 Data Flow in eBank UK Submit Store/link Data files Metadata Present HTML Institutional repository OAI-PMH Harvest (XML) Index and Search Present HTML eBank aggregator Create Deposition Interface Local archive search interface Service Provider interfaces e.g. Subject Portal Deposit

13. JISC Joint Programmes Meeting 200513 ebank_dc record (XML) Crystal structure (data holding) Crystal structure report (HTML) Dataset Institutional repository eBank UK aggregator service ePrint UK aggregator service Subject service Deposit Harvesting OAI-PMH ebank_dc Harvesting OAI-PMH oai_dc Searching, linking and embedding Dataset dc:identifier dcterms:references Linking dc:type=CrystalStructure and/or Collection Model input Andy Powell, UKOLN. PSIgate portal Eprint oai_dc record (XML) dcterms:isReferencedBy dc:type=Eprint and/or Text eBank data model Eprint jump-off page (HTML) dc:identifier Eprint manifestation (e.g. PDF) Linking

14. JISC Joint Programmes Meeting 200514 CombeChem: An EPSRC pilot project X-Ray e-Lab Analysis Properties Properties e-Lab Simulation Video Diffractometer Grid Middleware Structures Database

15. JISC Joint Programmes Meeting 200515 Crystallography data: The publication problem 25,000,000 2,000,000 300,000

16. JISC Joint Programmes Meeting 200516 Crystallography workflow RAW DATADERIVED DATARESULTS DATA Initialisation: mount new sample set up data collection Collection: collect data Processing: process and correct images Solution: solve structures Refinement: refine structure CIF: produce CIF (Crystallographic Information File) Validation: chemical & crystallographic checks Report: generate Crystal Structure Report

17. JISC Joint Programmes Meeting 200517 A data repository entry

18. JISC Joint Programmes Meeting 200518 Access to the underlying data ecrystals.chem.soton.ac.uk

19. JISC Joint Programmes Meeting 200519 Harvesting: OAIster

20. JISC Joint Programmes Meeting 200520 Aggregating: search & discover

21. JISC Joint Programmes Meeting 200521 Linking data to publications

22. JISC Joint Programmes Meeting 200522 eBank embedded in a science portal

23. JISC Joint Programmes Meeting 200523 Current Developments: Deposition and validation tools Validation File format manipulation

24. JISC Joint Programmes Meeting 200524 Current Developments: Integration into crystallographic publishing practices Publishers seal of approval

25. JISC Joint Programmes Meeting 200525 Current Developments: Ontologies for aggregating, linking & discovery Transform the list into an ontology Embed ontology into the deposition process Publish keywords in OAI Aggregators use keywords for linking with the broader literature Researchers use keyword ontology in search and discovery services

26. JISC Joint Programmes Meeting 200526 eBank : linking to learning Embedding in e-Learning processes Evaluating the pedagogical benefits – MChem course – Chemical informatics course

27. Issues and challenges

28. JISC Joint Programmes Meeting 200528 1. Issues: research data as content Sharing it! Data diversity –Homo- or heterogeneous –Raw and derived / processed –Sensitivity –Fast or slow growth in volume Repository evolution: –Likelihood to scale up (from bytes to petabytes) –Quality assurance (from the start) –Community-based standards development (folksonomies) –Build robust services

29. JISC Joint Programmes Meeting 200529 2. Issues: generic data models, metadata schema & terminology Validation against other schema –CCLRC Scientific Data Model Vs 2 Complex digital objects and packaging options –METS –MPEG 21 DIDL Terminologies –Domain: crystallography –Inter-disciplinary e.g. biomaterials –Metadata enhancement: subject keyword additions to datasets based on knowledge of keywords in related publications –Meaningful resource discovery?

30. JISC Joint Programmes Meeting 200530 3. Issues: linking and identifiers Links to individual datasets within an experiment Links to all datasets associated with an experiment or a data collection Links to derived eprints and published literature Context sensitive linking: find me –Datasets by this author / creator –Datasets related to this subject –Learning objects by this author / creator –Learning objects related to this subject Identifiers and persistence –generic –domain: International Chemical Identifier (InChI code) Resource discovery : Google Scholar? Provenance: authenticity, authority, integrity?

31. JISC Joint Programmes Meeting 200531 4. Issues: embedding and workflow Into the crystallographic publishing community International Union of Crystallography Into the chemistry research workflow –SMART TEA Digital Lab Book e-synthesis Lab –Other analytical techniques and instrumentation –RAE procedures? Into the curriculum and e-Learning workflows –MChem course –Undergraduate Chemical Informatics courses

32. JISC Joint Programmes Meeting 200532 Next in Phase 2……. Full embedding into the crystallographic research and publishing communities Chemistry workflow embedding –R4L Repository for the Laboratory –Related sub-domains of chemistry SPECTRa e-Learning embedding and pedagogic evaluation –Assess role in u/g chemical informatics courses –Introducing school children to e-research Enabling interdisciplinary research –Physical, mathematical, earth, environmental and engineering sciences

33. Thank you. Questions?…..