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The Discovery Landscape in Crystallography
UKOLN is supported by:
Monica Duke
UKOLN, University of Bath, UK – eBank UK project
A centre of expertise in digital information management
http://www.ukoln.ac.uk/
eBank/R4L/Spectra workshop, London, UK 20th October 2006
Overview
How is the discovery landscape shaping up in crystallography?
What are the potential problems for discovery?
Where do digital library technologies fit into the infrastructure?
Questions, questions
Where are we now? How did we get here?
Small number
Tightly-managed
Trusted
Independent Distributed
1:1 communication
Agreed formats
Datalinks to journal articles
Open access journals
Individuals putting materials on websites
Publication@source
ChemRefer DareNetOAIster
PRE-WEB WEB SEMANTIC WEB?
Dimensions of repositories or services
Management individual initiative
institutional
professional society
Procedures Level of control
Policies Formality
Documentation
Comprehensive
Coverage subject national International
Protocols
Discovery Dilemmas
Services for human consumption Differences in web interface and
searching capabilities With increase in numbers, user cannot
search each individually Incomplete support for automated
information exchange/agents
Digital Library Infrastructures & technologies
Data providers
Service providers
Harvestingbased onOAI-PMH
http://www.openarchives.org/
The OAI-PMH
OAI Protocol for Metadata Harvesting simple protocol for sharing metadata records
between applications currently at version 2.0 based on HTTP, XML, XML Schema and XML
namespaces allows a harvester to ask a remote repository
for some or all of its metadata records where ‘some’ is based on date-stamps, sets,
metadata formats
Metadata in the eBank UK project
Simple Dublin Core www.dublincore.org Intended for resource discovery Compatible with OAI-PMH Qualified to specify ‘vocabularies’ Refinements: aid interpretation of
element value E.g. <dc:subject xml:lang="en">seafood</dc:subject>
Metadata terms
Creator Rights Date Type Identifier
Specified using XML schema and documented using an Application Profile
http://www.rdn.ac.uk/oai/ebank/20060310/ebank_dc.xsd
http://www.ukoln.ac.uk/projects/ebank-uk/schemas/profile/
Subject
InChI
ChemicalFormula<dc:subject xsi:type="ebankterms:CompoundClass">Organic</dc:subject>
OAI-PMH unsolved problems
Partial solution – infrastructure needs to encompass other technical solutions
Immature experience of service provider models
Selection: identification of repositories of interest and subset of content therein
Duplication of resources Metadata quality: what makes good
metadata and how to generate (consistently)
Questions, questions
How can these resources be joined up to offer useful services to users?
What is the role of OAI-PMH? What other interfaces need to be
considered? Who are the communities of users of
crystallography data? How can they be defined and described? What is a ‘useful’ service?
Questions, questions
Do users have overlapping (information) needs, interest in common (subsets of) sources?
How can information needs be identified and described?
What sorts of solutions are appropriate? What are the interface design implications? What discovery tools are already being used? Can tools/services be adapted, do we need new
ones? What is the role of publishers?
URLs
OAIster http://www.oaister.org/ DAREnet http://www.darenet.nl/ ChemRefer http://www.chemrefer.com/ Chemistry Central
http://www.chemistrycentral.com/ Crystallography Open Database
http://www.crystallography.net/ Reciprocal Net
http://www.reciprocalnet.org/recipnet/search.jsp
