© S.J. Coles 2006 Usability WS, NeSC Jan 06 Enabling the reusability of scientific data: Experiences with designing an open access infrastructure for sharing.

Slides:

Advertisements

Similar presentations

IATUL Porto, May 21, 2006 DOI and e-Science Dr Anne E Trefethen Oxford e-Research Centre

Advertisements

50 Years of Experience in Making Grey Literature Available Matching the Expectations of the Particle Physics Community Carmen ODell.

Introduction to DataCite Adam Farquhar PhD Head of Digital Library Technology, The British Library President, DataCite June 2010.

Creating Institutional Repositories Stephen Pinfield.

The DART-Europe E-theses Portal Martin Moyle Digital Curation Manager UCL Library Services, UK ETD 2009, University of Pittsburgh, June.

AHM, Nottingham, September eBank UK : linking research data, scholarly communication and learning. Dr Liz Lyon, UKOLN, University of Bath Dr Simon.

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Experiences in deploying a useable Grid-enabled service for the National Crystallography Service Simon J. Coles.

S.J. Coles a*, M.B. Hursthouse a, R.A. Stephenson a, P. Cliff b, E. Lyon b, M. Patel b J. Downing c & P. Murray-Rust.

Crystal Structure EPrints: Source Through the Open Archive Initiative S.J. Coles a*, J.G. Frey a, M.B. Hursthouse a, L. Carr b & C.J. Gutteridge.

Opening the Research Data Lifecycle Workshop Capturing and Sharing Research Data Simon Coles School of Chemistry, University of Southampton, U.K.

© S.J. Coles 2006 Digital Repositories as a Mechanism for the Capture, Management and Dissemination of Chemical Data Simon Coles School of Chemistry, University.

Linking Data and Publications: the Chemistry Way Simon Coles School of Chemistry, University of Southampton, U.K. CLADDIER workshop.

Chemistry research data in the modern age: A clear need for curation expertise Simon Coles School of Chemistry, University of Southampton, U.K.

S.J. Coles a*, J.G. Frey a, M.B. Hursthouse a, L. Carr b & C.J. Gutteridge b. a School of Chemistry, University of Southampton, UK.; b School of Electronics.

© S.J. Coles 2006 Digital Repositories as a Mechanism for the Capture, Management and Dissemination of Chemical Data Simon Coles School of Chemistry, University.

RCUK, Octiber Archiving research data and research publications. Dr Leslie Carr, Intelligence, Agents Multimedia, University of Southampton Dr Simon.

© S.J. Coles 2006 eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data Simon Coles School of Chemistry, University of Southampton,

A centre of expertise in digital information management UKOLN is supported by: Adding Value to Data and Information: Moving towards a Science.

Joint Information Systems Committee Digital Library Services BL/JISC Workshop Rachel Bruce JISC Programme Director The Digital Library and its Services,

Integrating research data into the publication workflow: eBank UK experience Rachel Heery, UKOLN, University of Bath

Data Curation in Crystallography: Publisher Perspectives JISC Data Cluster Consultation Workshop CCLRC, Didcot, Oxon 10 October 2006.

JISC Joint Programmes Meeting eBank UK : linking research data, learning and scholarly communications. Dr Liz Lyon, UKOLN, University of Bath Dr.

A centre of expertise in digital information management UKOLN is supported by: Digital repositories as research infrastructure: a UK perspective.

A centre of expertise in digital information management UKOLN is supported by: British Academy e-Resources Policy Review: UKOLN Report.

A centre of expertise in digital information management UKOLN is supported by: UK Perspectives on the Curation and Preservation of Scientific.

Federation eCrystals Federation: Open Repositories for Data-driven Science Dr Liz Lyon, UKOLN, University of Bath, UK Dr Simon Coles, University of Southampton,

UKOLN is supported by: Enhancing access to research data: the challenge of crystallography Rachel Heery, Monica Duke, Michael Day UKOLN, University of.

Publisher perspective eBank/R4L/SPECTRa Joint Consultation Workshop London Metropole Hotel 20 October 2006.

Pure Silver Reusing and Repurposing Bibliographic Data in a Current Research Information System and Institutional Repository 15 September.

© S.J. Coles 2006 Institutional Data Repositories for Chemistry Simon Coles School of Chemistry, University of Southampton, U.K.

EBankII Workshop 1 Making Scientific Data Openly Available Simon Coles School of Chemistry, University of Southampton.

The Discovery Landscape in Crystallography UKOLN is supported by: Monica Duke UKOLN, University of Bath, UK – eBank UK project A centre.

A centre of expertise in data curation and preservation DigCCur2007 Symposium, Chapel Hill, N.C., April 18-20, 2007 Co-operation for digital preservation.

Open Stirling: Open Access Publishing and Research Data Management at Stirling Monday 25 th March 2013 Michael White, Information Services STORRE Co-Manager/RMS.

Data activities of the International Union of Crystallography Brian McMahon IUCr 5 Abbey Square Chester CH1 2HU

The Central Role of Data ‘Capturing and Sharing Chemistry Research Data’ Simon Coles School of Chemistry, University of Southampton, U.K.

University of Southampton, U.K.

EPrints Workshop, January eBank UK: Dissemination of research data using EPrints Simon Coles, School of Chemistry, University of Southampton.

Crystallographic Data Publication at Source International Union of Crystallography Peter R. Strickland and Brian McMahon IUCr 5 Abbey Square Chester CH1.

© S.J. Coles 2006 Data Management in the Chemistry Domain Simon Coles School of Chemistry, University of Southampton, U.K.

Challenges for the DL and the Standards to solve them Alan Hopkinson Technical Manager (Library Systems) Learning Resources Middlesex University.

© S.J. Coles 2005 eChemInfo2005 Open Archives as a Route for Capture, Dissemination and Access to Chemical Data and Information Simon Coles School of Chemistry,

DataCite: Making Data Citable Jan Brase (DataCite/TIB Hannover) Brigitte Hausstein (GESIS) Wolfgang Zenk-Möltgen (GESIS)

System Design/Implementation and Support for Build 2 PDS Management Council Face-to-Face Mountain View, CA Nov 30 - Dec 1, 2011 Sean Hardman.

Presented by DOI Create: TERN as a use-case Siddeswara Guru

EBank UK: linking scientific data, scholarly communication and learning Michael Day and Rachel Heery UKOLN, University of Bath

1 Schema Registries Steven Hughes, Lou Reich, Dan Crichton NASA 21 October 2015.

Technical Update 2008 Sandy Payette, Executive Director Eddie Shin, Senior Developer April 3, 2008 Open Repositories 2008, Fedora User Group.

Jason Platts Lead Technical Developer The Open University An overview of how the Open University has incorporated bibliographic.

UKOLN is supported by: Introduction to UKOLN Dr Liz Lyon, Director UKOLN, University of Bath, UK Grand Challenge Meeting, June a centre.

It’s the data that makes a paper Joerg Heber Executive Editor Nature Communications.

Taming the Big Data in Computational Chemistry #euroCRIS2015 Barcelona 9-11-XI-2015 Carles Bo ICIQ (BIST) -

Integration of the Activity Research Database and the Institutional Repository at Carlos III University of Madrid Teresa Malo de Molina Head Librarian.

CombeDay Making Data Openly Available Simon Coles.

ARIADNE is funded by the European Commission's Seventh Framework Programme Archiving and Repositories Holly Wright.

Metadata-based Discovery: Experience in Crystallography UKOLN is supported by: Monica Duke UKOLN, University of Bath, UK A centre of.

Data Citation Implementation Pilot Workshop

UKOLN is supported by: Library futures in the new research landscape. Dr Liz Lyon, UKOLN, University of Bath, UK CURL Members Meeting October 2004, London.

A centre of expertise in digital information management 10 minute practical guide to the JISC Information Environment (for publishers!)

Moving on : Repository Services after the RAE

Reusing and repurposing metadata in a Current Research Information System and Institutional Repository 3 June 2010 Robin Armstrong Viner Cataloguing.

eCrystals Federation: Open Repositories for global Open Science

VI-SEEM Data Repository

A step-by-step guide to DOI registration

Introduction to Research Data Management

‘The eCrystals Federation’ Management and Publication of Small Molecule Structure Data for the Whole Crystallographic Community S.J. Colesa*, J.G. Freya,

JISC Joint Programmes Meeting 2005

Developing Institutional Data Repositories

eCrystals Federation: Open Repositories for global Open Science

Data + Research Elements What Publishers Can Do (and Are Doing) to Facilitate Data Integration and Attribution David Parsons – Lawrence, KS, 13th February.

Presentation transcript:

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Enabling the reusability of scientific data: Experiences with designing an open access infrastructure for sharing datasets Simon J. Coles EPSRC National Crystallography Service School of Chemistry University of Southampton

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Data & the Publication Problem 25,000,000 2,000, ,000

© S.J. Coles 2006 Usability WS, NeSC Jan 06 A Different Approach to Data Publication? Underlying dataIntellect & Interpretation

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Requirements Capture of all digital data and information generated during the course of an experiment Data validation Adding value Archival system for data with attached bibliographic and chemical metadata Automatic report generation Schema and protocols for publication and dissemination of a dataset

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Open Access Crystal Structure Archive ecrystals.chem.soton.ac.uk

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Access to the Underlying Data

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Publicising Content

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Harvesting, Linking and Aggregating

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Quality & Uniformity of data Different laboratories, practices & instruments present a heterogeneous body of data Publish according to IUCr ratified schema To support publication according to this schema a toolbox add-on to the archive has been developed Toolbox requires 2 mandatory files only & is capable of performing file format conversions and generate value added files

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Ease of Deposition & Metadata Quality Minimal number of manual metadata entries – many can be hardwired into the system Deposition guidelines initially prepared by students to provide impartial feedback Full documentation and in-line help/examples Restrained lists, e.g. Keywords Data deposited automatically by toolbox Automated generation of metadata for report and OAI interface

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Data Validation Peer review removed from self deposit publication Simple checks for consistency made by the toolbox Checks for crystallographic integrity made through a web service (IUCr, CHECKCIF) Introduction of data editor for the archive; a deposition must be signed-off by a recognised professional before going live Quality indicators automatically taken from dataset and presented in HTML jump-off page

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Identifiers URL of deposited dataset provides an identifier Persistent only if the Institutional support model is accepted / adopted Signed-up to an agency to register metadata relating to datasets with a DOI Pay registry to ensure that DOI always resolves to associated dataset (10cents to register 1cent per annum to maintain) InChI chemical identifier - a unique text descriptor for a molecule

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Dissemination & Aggregation OAI metadata schema; ratified by IUCr & chemical community OAI covers bibliographic terms; must introduce chemical terms Both library and subject specific aggregators satisfied Chemical linking; InChI, chemical classifications and restricted keywords list

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Endorsement Feedback during development from technical publishing arm of IUCr Designed for automatic incorporation into CSD (global database operated by CCDC) Accepted by Executive Committee of IUCr Reuse of data achieved in collaboration with Leverhulme Centre for Molecular Informatics

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: Community Uptake Southampton archive about to publish routinely via the archive Five crystallography laboratories in UK agreed to adopt philosophy, install and populate archives CCDC will harvest required data from all archives IUCr will harvest and curate all data Develop aggregator services in collaboration with IUCr

© S.J. Coles 2006 Usability WS, NeSC Jan 06 Usability: The Next Challenges Full acceptance by chemical community –Validation worries –Curation worries –The requirement for as many peer reviewed publications as possible (despite quality) Full acceptance by wider chemistry publishing community –Loss of control over underlying data –Faith in Open Archives replacing experimental descriptions in articles Development of fully functional aggregator services