1. UKOLN is supported by: Developing e-Infrastructure to support new research and learning paradigms. Dr Liz Lyon, Director UKOLN, University of Bath, UK Building the Info Grid, Copenhagen, September 2005. www.bath.ac.uk a centre of expertise in digital information management www.ukoln.ac.uk

2. DEFF Seminar, Copenhagen, September 20052 Overview 1.e-Research: a changing landscape 2.Developing infrastructure: repository services & adding value Aggregation and linking: eBank UK Integration and workflows 3.Looking to the longer term: digital curation and preservation

3. 1. e-Research: a changing landscape

4. DEFF Seminar, Copenhagen, September 20054 Data Overload! How do we disseminate? EPSRC National Crystallography Service eScience - the data deluge

5. DEFF Seminar, Copenhagen, September 20055 Diversity of data collections Very large, relatively homogeneous: Large-scale Hadron Collider (LHC) outputs from CERN Smaller, heterogeneous and richer collections: World Data Centre for Solar-terrestrial Physics CCLRC Small-scale laboratory results: jumping robots project at the University of Bath Population survey data: UK Biobank Highly sensitive, personal data: patient care records

6. DEFF Seminar, Copenhagen, September 20056 Taxonomy of data collections Research collections: jumping robots Community collections: Flybase at Indiana (with UC Berkeley ) Reference collections: Protein Data Bank Source: NSF Long-Lived Digital Data Collections Draft report revised May 2005 Evolution……

7. DEFF Seminar, Copenhagen, September 20057 Experience of data-sharing Large scale data sharing in the life sciences Draft Report June 2005 Sponsored by UK research funding bodies MRC, BBSRC, NERC, JISC, Wellcome Outcomes & recommendations –Importance of standards and good quality metadata –Require a data management plan –Work needed on vocabularies & ontologies –Awareness of archiving & long term preservation Position of research funders and policy makers?

8. DEFF Seminar, Copenhagen, September 20058

9. DEFF Seminar, Copenhagen, September 20059 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

10. DEFF Seminar, Copenhagen, September 200510 A view in 2005 Institutional repositories: country update CNI/JISC/SURF D-Lib Magazine September 2005 Emerging trends –Germany 103, UK 31, Sweden 25 –Policy: Germany YES, UK RCUK draft –National programmes: UK, Germany, Australia, Sweden, Netherlands YES –Services: indexing, search, harvesting

11. 2. Developing infrastructure: repository services & adding value

12. DEFF Seminar, Copenhagen, September 200512 Developing models The e-Framework for Education & Research JISC, UK and Department of Education, Science & Training, Australia www.e-framework.org The primary goal of the initiative is to produce an evolving and sustainable, open standards based service oriented technical framework to support the education and research communities. Reference models Service definitions

13. 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

14. DEFF Seminar, Copenhagen, September 200514 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

15. DEFF Seminar, Copenhagen, September 200515 eBank UK Project Two key themes: –Open access to datasets –Linking research data to publications and to learning JISC-funded from September 2003: now in Phase 2 UKOLN at the University of Bath (lead), University of Southampton, University of Manchester Exemplar: e-Science testbed Combechem –Grid-enabled combinatorial chemistry / crystallography –National Crystallography Service Resource Discovery Network / PSIgate physical sciences portal http://www.ukoln.ac.uk/projects/ebank-uk/

16. DEFF Seminar, Copenhagen, September 200516 The hybrid 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

17. DEFF Seminar, Copenhagen, September 200517 Data Flow in eBank UK Submit Store/link Data files Metadata Present HTML Institutional repository eCrystals OAI-PMH Harvest (XML) Index and Search Present HTML eBank aggregator service Create Deposition Interface Local archive search interface Service Provider interfaces e.g. Subject Portal Deposit

18. DEFF Seminar, Copenhagen, September 200518 CombeChem: An EPSRC pilot project X-Ray e-Lab Analysis Properties Properties e-Lab Simulation Video Diffractometer Grid Middleware Structures Database

19. DEFF Seminar, Copenhagen, September 200519 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

20. DEFF Seminar, Copenhagen, September 200520

21. DEFF Seminar, Copenhagen, September 200521 A data repository entry

22. DEFF Seminar, Copenhagen, September 200522 Access to the underlying data: complex objects ecrystals.chem.soton.ac.uk

23. DEFF Seminar, Copenhagen, September 200523 Harvesting: OAIster

24. DEFF Seminar, Copenhagen, September 200524 Aggregating: search & discover

25. DEFF Seminar, Copenhagen, September 200525 Linking data to publications

26. DEFF Seminar, Copenhagen, September 200526 eBank embedded in a science portal

27. DEFF Seminar, Copenhagen, September 200527 Ontologies for discovery in an interdisciplinary world 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

28. DEFF Seminar, Copenhagen, September 200528 Persistent identifiers for data citation eBank use cases: depositor, author, service provider, reader, publisher, ? Schemes: DOI, Handle, ARK, PURL Global identification: express as http URIs Added value services: CrossRef, resolution service, integration (Globus), look-up service, ? Degree of trust or persistence Costs Future potential: political, ? Domain identifiers: International Chemical Identifier (InChI) codes

29. DEFF Seminar, Copenhagen, September 200529 Publication & citation of scientific primary data project National Library for Science & Technology (TIB), University of Hanover, Germany STD-DOI Project http://www.std-doi.de DOI registry for datasets Data requirements: quality control, long-term curation, use DOI resolver Data publication agents: World Data Center Climate, GeoForschungsZentrum Potsdam Exemplar data citation: –Kamm, H; Machon, L; Donner, S (2004): Gas chromatography (KTB Field Lab), GFZ Potsdam. doi:10.1594/GFZ/ICDP/KTB/ktb-geoch-gaschr-p

30. DEFF Seminar, Copenhagen, September 200530 Integration into crystallographic publishing practices Publishers seal of approval

31. DEFF Seminar, Copenhagen, September 200531 Integration into chemistry research workflows R4L Repository for the Laboratory Project (JISC-funded) automated data capture from instrumentation, registration of results SMART TEA electronic Laboratory notebook + annotations Related sub-domains of chemistry: SPECTRa Project (JISC-funded) Research assessment (RAE) process?

32. DEFF Seminar, Copenhagen, September 200532 Integration into the curriculum and e-Learning workflows MChem course Assess role in Undergraduate Chemical Informatics courses Pedagogic evaluation Introducing school children to e-Research?

33. DEFF Seminar, Copenhagen, September 200533 Knowledge extraction & post-processing New information & knowledge ……… Mining (data, text, structures) Modelling (economic, climate, mathematical, bio) Analysis (statistical, lexical, pattern matching, gene) Presentation (visualisation, rendering) In federated repositories: Digital libraries, datasets, learning materials Role of Google????

34. 3. Looking to the longer term: digital curation & preservation

35. DEFF Seminar, Copenhagen, September 200535 For later use? In use now (and the future)? Repositories and digital curation Data preservationData curation StaticDynamic maintaining and adding value to a trusted body of digital information for current and future use

36. DEFF Seminar, Copenhagen, September 200536 Assuring long term access to the research record Trusted digital repositories –Audit Checklist for Certification Draft Report –Research Libraries Group, August 2005 –RLG-NARA Taskforce –Defined criteria under 4 categories Organisation Functions, processes & procedures Designated community & usability Technologies & technical infrastructure UK Digital Curation Centre http://www.dcc.ac.uk –1 st International DCC Conference Sep 29-30, Bath UK

37. DEFF Seminar, Copenhagen, September 200537

38. Thank you. Questions?….. More information: UKOLN http://www.ukoln.ac.uk/