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

Slides:

Advertisements

Similar presentations

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

Advertisements

DRIVER Long Term Preservation for Enhanced Publications in the DRIVER Infrastructure 1 WePreserve Workshop, October 2008 Dale Peters, Scientific Technical.

Open Access Niamh Brennan Trinity College Dublin DRIVER Summit, Goettingen, January 17th 2008 Local Integration, National Federation TCD-RSS, TARA, IReL-Open,

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

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.

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

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.

Crystallographic Metadata Simon Coles CrystalGrid Collaboratory Foundation Meeting September 2004.

© 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.

Data and Publication Discovery Brian Matthews, Information Management Group, STFC Rutherford Appleton Laboratory CLADDIER workshop, Chilworth, Southampton,

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,

UKOLN is supported by: Enhanced support for eScience: the role of Digital Libraries Digital Libraries Go eScience, ECDL, Alicante September 2006 Rachel.

A centre of expertise in digital information management UKOLN is supported by: Digital libraries and digital scholarship: changing roles.

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

UKOLN is supported by: From research data to new knowledge: a lifecycle approach. Dr Liz Lyon, Director UKOLN, University of Bath, UK JISC/SURF/CNI Conference.

Digital | Curation | Centre Adding value to open access research data: reflections on the process of data curation Dr Liz Lyon, DCC Associate Director.

A centre of expertise in digital information management UKOLN is supported by: Dealing with Data: Roles, Rights, Responsibilities & Relationships.

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

UKOLN is supported by: eBank UK : linking research data, scholarly communications and learning. Dr Liz Lyon, UKOLN, University of Bath, UK JISC CNI Conference.

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.

UKOLN is supported by: Emergent technologies & digitisation: the institutional impact. Liz Lyon & Kevin Edge VCs Retreat, October a.

Federation The eCrystals Federation Dr Simon Coles, University of Southampton, UK Dr Liz Lyon, UKOLN, University of Bath, UK Open Repositories 2008, University.

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

A centre of expertise in digital information management UKOLN is supported by: Changing Roles, Responsibilities and Relationships Dr Liz.

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.

© 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.

EBank UK CCLRC Workshop February eBank and CCLRC Workshop February 2005 University of Bath.

Digital Repositories: interoperability & common services Closing Remarks Dr Liz Lyon, UKOLN, University of Bath, UK

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

OpenAIRE: the European Scholarly Communication Infrastructure OCLC Research Workshop Libraries and Research: Supporting Change/Changing Support June 10.

Libraries in the New Research Environment Joyce Ray NAS/BRDI Symposium Associate Deputy for Libraries June 3, 2010.

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

Institutional repositories a bluffer’s guide. Academic libraries and archives  Cataloguing –Computerised catalogue databases (e.g. OPACS) –Networked.

University of Southampton, U.K.

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

© S.J. Coles 2005 ACS 2005, San Diego Furthering Chemoinformatics through ‘Crystalloinformatics’ Simon J. Coles EPSRC National Crystallography Service.

© 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,

Experiences with Repositories and Blogs in Laboratories or ‘R4L: The Repository for the Laboratory’ Leslie Carr, Simon Coles & Jeremy.

ⓒ UNIST LIBRARY UNIST Institutional Repository ⓒ UNIST LIBRARY

Maynooth’s ePrints & eTheses archive Health Sciences Libraries Group Suzanne Redmond Maloco eprints.nuim.ie.

Ms. Irene Onyancha ISTD/Library & Information Management Services United Nations Economic Commission for Africa The Second Session of the Committee on.

Digital/Open Access repositories Paul Sheehan Director of Library Services DCU HEAnet National Networking Conference Athlone 11 th November 2005.

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

LIR Seminar, 27 th March 2009 IReL-Open for business soon Rachel Hill DORAS Institutional Repository Manager, Dublin City University

11 Curation of Chemistry Data from the Laboratory to Publication Jeremy Frey & Simon Coles School of Chemistry University of Southampton Jeremy Frey &

1 A Very Large Digital Library Technology Demonstration William Y. Arms Cornell University.

Repositories COMP3016 Public, managed, web collections of knowledge.

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

Breakout Session 2.2: A sustainable GEO Information System of Systems Chair: Lorenzo Bigagli Rapporteur: Greg Yetman.

CombeDay Making Data Openly Available Simon Coles.

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.

eCrystals Federation: Open Repositories for global Open Science

eCrystals Federation: Open Repositories for Open Science

Research on Data Curation and Repositories

‘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

Presentation transcript:

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

© S.J. Coles 2006 Why? Funding Body Viewpoint

© S.J. Coles 2006 Why? Curation in the Laboratory “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)

© S.J. Coles 2006 Why? Publishing and the Data Deluge 30,000, ,000, ,000

© S.J. Coles 2006 Why? Publishing Data and Information Loss

© S.J. Coles 2006 Separating Data from Interpretations Underlying data (Institutional data repository) Intellect & Interpretation (Journal article, report, etc)

© S.J. Coles 2006 Data Generation in Chemistry Synthesis Characterisation

© S.J. Coles 2006 Smart Labs

© S.J. Coles 2006 Preservation and Curation by Data Centres & Institutions G bytes M bytes Lab / Institution Data Centre / Public Domain k bytes

© S.J. Coles 2006 Laboratory IRs and Information Management

© S.J. Coles 2006 The R4L Repository Deposit Search / Browse Create new compoundAdd experiment data and metadata

© S.J. Coles 2006 The eCrystals Public Data Archive

© S.J. Coles 2006 Metadata Publication 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 DOI Rights & Citation Application Profile

© S.J. Coles 2006 Aggregator services Institutional data repositories Validation Deposit Publication Validation Data analysis, transformation, mining, modelling Search, harvest Presentation services / portals Data discovery, linking, citation Laboratory repository Deposit The eCrystals ‘Global Federation’ Model Publishers: peer- review journals, conference proceedings, etc Curation Preservation Subject Repository Institution Library & Information Services