1. JISC Joint Programmes Meeting 2005
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
JISC Joint Programmes Meeting 2005

2. The wider context

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

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

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

6. eScience - the data deluge
Data Overload!
How do we disseminate?
EPSRC National Crystallography Service
JISC Joint Programmes Meeting 2005

7. JISC Joint Programmes Meeting 2005

8. JISC Joint Programmes Meeting 2005
Presentation services: subject, media-specific, data, commercial portals
Searching , harvesting, embedding
Resource discovery, linking, embedding
Resource discovery, linking, embedding
Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media
Data analysis, transformation, mining, modelling
Learning object creation, re-use
Aggregator services: eBank UK
Harvestingmetadata
Learning & Teaching workflows
Research & e-Science workflows
Repositories : institutional, e-prints, subject, data, learning objects
Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules
Deposit / self-archiving
Deposit / self-archiving
Validation
Publication
Resource discovery, linking, embedding
Validation
Peer-reviewed publications: journals, conference proceedings
Quality assurance bodies
JISC Joint Programmes Meeting 2005

9. The eBank UK Project

10. JISC Joint Programmes Meeting 2005
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
JISC Joint Programmes Meeting 2005

11. JISC Joint Programmes Meeting 2005
The project team
Southampton
Les Carr
Simon Coles
Jeremy Frey
Chris Gutteridge
Mike Hursthouse
Andrew Milstead
Manchester
John Blunden-Ellis
UKOLN
Michael Day
Monica Duke
Rachel Heery
Traugott Koch
Liz Lyon +
Andy Powell
JISC Joint Programmes Meeting 2005

12. Local archive search interface
Data Flow in eBank UK
Create
HTML
Service Provider interfaces e.g. Subject Portal
Deposition Interface
Deposit
OAI-PMH
Present
Submit
Store/link
Index and Search
Harvest (XML)
Institutional repository
eBank aggregator
Present
Local archive search interface
Data files
HTML
Metadata
JISC Joint Programmes Meeting 2005

13. JISC Joint Programmes Meeting 2005
Dataset
eBank data model
Searching, linking and embedding
Dataset
Dataset
dcterms:references
Harvesting OAI-PMH oai_dc
Crystal structure (data holding)
ePrint UK aggregator service
Linking
Searching, linking and embedding
Harvesting OAI-PMH
ebank_dc
ebank_dc record (XML)
Deposit
PSIgate portal
dc:type=“CrystalStructure” and/or “Collection”
eBank UK aggregator service
Institutional repository
dc:identifier
Crystal structure report (HTML)
dcterms:isReferencedBy
Harvesting OAI-PMH oai_dc
Eprint “jump-off” page (HTML)
dc:identifier
Eprint manifestation (e.g. PDF)
Eprint oai_dc record (XML)
Subject service
Linking
dc:type=“Eprint” and/or ”Text”
Searching, linking and embedding
Model input Andy Powell, UKOLN.
JISC Joint Programmes Meeting 2005

14. CombeChem: An EPSRC pilot project
Simulation
Video
Properties
Analysis
Structures Database
Diffractometer
Properties e-Lab
X-Ray e-Lab
Grid Middleware
JISC Joint Programmes Meeting 2005

15. Crystallography data: The publication problem
2,000,000
25,000,000
300,000
JISC Joint Programmes Meeting 2005

16. Crystallography workflow
RAW DATA
DERIVED DATA
RESULTS 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
JISC Joint Programmes Meeting 2005

17. JISC Joint Programmes Meeting 2005
A data repository entry
JISC Joint Programmes Meeting 2005

18. Access to the underlying data
ecrystals.chem.soton.ac.uk
JISC Joint Programmes Meeting 2005

19. JISC Joint Programmes Meeting 2005
Harvesting: OAIster
JISC Joint Programmes Meeting 2005

20. JISC Joint Programmes Meeting 2005
Aggregating: search & discover
JISC Joint Programmes Meeting 2005

21. Linking data to publications
JISC Joint Programmes Meeting 2005

22. eBank embedded in a science portal
JISC Joint Programmes Meeting 2005

23. Current Developments: Deposition and validation tools
File format manipulation
JISC Joint Programmes Meeting 2005

24. JISC Joint Programmes Meeting 2005
Current Developments: Integration into crystallographic publishing practices
Publishers seal of approval
JISC Joint Programmes Meeting 2005

25. 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
JISC Joint Programmes Meeting 2005

26. eBank : linking to learning
Embedding in e-Learning processes
Evaluating the pedagogical benefits
MChem course
Chemical informatics course
JISC Joint Programmes Meeting 2005

27. Issues and challenges

28. 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
JISC Joint Programmes Meeting 2005

29. 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?
JISC Joint Programmes Meeting 2005

30. 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?
JISC Joint Programmes Meeting 2005

31. 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
JISC Joint Programmes Meeting 2005

32. JISC Joint Programmes Meeting 2005
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
JISC Joint Programmes Meeting 2005

33. Thank you. Questions?…..