eCrystals Federation

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eCrystals 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
Federation
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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)
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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
assistants 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)
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wikis
Blogs / social networks
Repository networks
Harvest
Open Publication
Aggregators
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eBank Project building the eCrystals Data
Repository
Started Sept 2003 3 Phases development UKOLN-led
interdisciplinary team
ePrints platform _at_ Southampton Institutional
Repository exemplar Embedded in
workflow http//ecrystals.chem.soton.ac.uk
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Repository Foundations
Learned society subject repository support

• 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/projec
  ts/ebank-uk/schemas/
• DOI links http//dx.doi.org/10.1594/ecrystals.che
  m.soton.ac.uk/145
• Rights Citation http//ecrystals.chem.soton.ac.
  uk/rights.html

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Funder
Data centres / aggregator services
Advisory
Scientist
CreateDeposit
Scientist
IR Federation
Curate Preserve Standards
Policy AdvocacyTraining
Harvest
Link
Collaborate Share
Discover Re-use
Link
eCrystals Federation Data Deposit Model (based on
model in Dealing with Data Report UKOLN 2007)
Publishers
User
Link
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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
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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
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eBank-UK Phase 3 Curation Preservation Study

• http//www.ukoln.ac.uk/projects/ebank-uk/curation/
  
• Examined four main areas
• Audit and certification (TRAC, DRAMBORA, NESTOR,
  ISO International repository audit and
  certification BOF Group)
• The Open Archival Information System (OAIS) and
  Representation Information (RI)
• eBank-UK application profile and preservation
  metadata
• ePrints.org repository platform

Recommendations Self-assessment using
DRAMBORA Consider Representation Information in
wider context Develop preservation
strategy Capture preservation metadata - PREMIS
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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

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Questions? Slides will be available at
http//wiki.ecrystals.chem.soton.ac.uk/index.ph
p http//www.ukoln.ac.uk/ukoln/staff/e.j.lyon/pres
entations.html
Federation