Federation

eCrystals Federation: Open Repositories for global Open Science

Dr Liz Lyon, UKOLN, University of Bath, UKDr Simon Coles, University of Southampton, UK

DRIVER Summit, Gottingen, January 2008

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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 and 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)

Blogs / social networks

AggregatorsOpen “Publication”

Harvest

Repository networks

wikis

eBank Project – building the eCrystals Data Repository

ePrints platform @ Southampton

Institutional Repository exemplar

Embedded in workflow

http://ecrystals.chem.soton.ac.uk

Started Sept 2003

3 Phases development

UKOLN-led interdisciplinary team

Repository Foundations • Using 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 (InChI)• 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

Learned society + subject repository support

CreateDeposit

Link

Curate Preserve

Standards

Scientist

Funder

Collaborate Share

User

Discover Re-use

eCrystals Federation Data Deposit Model (based on model in Dealing with Data Report UKOLN 2007)

Link

Link

ScientistPolicy AdvocacyTraining

HarvestIR Federation

Publishers

Data centres / aggregator

servicesAdvisory

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, ReciprocalNet, 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

• StOReLink project proposal - Test linking options: StORe middleware and CLADDIER

• OAI-ORE Testbed• Project PROSPECT – sharing & integrating ontologies

eChemistry project

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

eBank-UK Phase 3 Curation & Preservation Studyhttp://www.ukoln.ac.uk/projects/ebank-

uk/curation/

Examined four main areas1. 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. eBank-UK application profile and preservation metadata

4. ePrints.org repository platform

Recommendations:

Self-assessment using DRAMBORA

Consider Representation Information in wider context

Develop preservation strategy

Capture preservation metadata - PREMIS

eCrystals Federation preservation & sustainability Business models?

• Alignment with experimental services

• Hosting service • Validation service

Data repositories• Use DRAMBORA Interactive• Add PREMIS preservation metadata• Populate RRoRI with eCrystals representation information• Examine repository platform conformance to OAIS Ref Model• Survey partner preservation policies

Federation

Questions?

Slides will be available at :

http://wiki.ecrystals.chem.soton.ac.uk/index.phphttp://www.ukoln.ac.uk/ukoln/staff/e.j.lyon/presentations.html

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