A centre of expertise in digital information management UKOLN is supported by: C21st Scholarship: Data as an Agent for Change Dr Liz Lyon, Director, UKOLN, University of Bath, UK Associate Director, UK Digital Curation Centre 3 rd Bloomsbury Conference, London, June This work is licensed under a Creative Commons Licence Attribution-ShareAlike 2.0

Perspectives 1.The 21stC Scholar : Team Science in the Cloud 2.Chemical Crystallography : Data Publishing Showcase 3.The Future : a Transformational Agenda

The 21stC Scholar : Team Science in the Cloud

What does the C21st research(er) look like? From users to choosers (Yanosky) Pro-sumers (Toffler) Digital nomads Work on the Webtop Multi-scale & complex Highly data-intensive Increasingly open

OPENCLOSED Continuum of Openness?

What do we mean by Team Science? Science as a social activity Tweet Blog Comment Rate Vote Recommend Tag Share Mash Highly collaborative Multi-disciplinary Core team skills Trust is key Inter-institutional collaboration – better science (Brian Uzzi, 2008)

A new digital economy? Data is: –On demand –A utility –Commoditised –Un-differentiated –Publish then filter (Shirky) –Traded Cloud model? Brokers & aggregators are key roles Free, pay per use, pay as you grow….. Economies of scale Network effects New data publishing business models

Chemical Crystallography : Data Publishing Showcase

Data Deluge A bottleneck : the primary cause is the current data publication process, which is tied to journal articles and peer review 40 years ago a PhD student would determine about 3 crystal structures for their thesis – this can now be easily achieved in a day 35 million 2.5 million 0.5 million Few thousand Slide: Dr Simon Coles, Univ Soton

Multi-scale : from Diamond Light Source …..

…..to the Laboratory bench

Simon Coles, Mike Hursthouse, Jeremy Frey, Cameron Neylon, Andrew Milsted, Richard Stephenson, Jamie Robinson, Steven Wilson, Andrew Bailey, Mark Borkum Dave DeRoure, Les Carr, Monica Schraefel, Chris Gutteridge, Tim Myles-Board, Arouna Woukei, Dave Tarrant, Stuart Middleton Liz Lyon, Manjula Patel, Rachel Heery, Monica Duke, Michael Day, Traugott Koch, Pete Cliff Domain (Chemists) Computer science Informatics eCrystals Team

eCrystals Data Repository Quick & simple to deposit Software tools Laboratory archive Community involvement Embargo facility Structured foundations Discoverable & harvestable

Trust Standards Audit and certification tools TRAC DRAMBORA PLATTER NESTOR Data Seal of Approval eCrystals Curation Reports (3) Preservation metadata PREMIS Data Dictionary OAIS Representation Information Registry/Repository RRORI Data sustainability

Data Discovery & Access Community Criteria for Interoperability (Scaling Up Report 2008) Domain data format standard: CIF Domain data validation standard: CheckCIF Metadata schema: eCrystals Application Profile Crystallography Data Commons: TIDCC Data Model in development Embargo & Rights Domain identifier: International Chemical Identifier Citation & linking: DOI

Paris, March 2009

Memorandum of Understanding

Dr Simon Coles, Univ Southampton

A centre of expertise in digital information management Slide of data services : CrystalEye, Crystal Web, Chemxseer etc search structures check PMR stuff aggregate, syndiucate, filter etc. New Web service to aggregate published crystallography data...

... federated search.....

structure search...

Data casts : Lab Blogs Machines Tools Sensors Original slide: Dr Simon Coles, Univ Soton

Publishing and sharing methodologies...

... and workflows data for re-use, mash-ups, mining, computation, models, simulations...

27 molecules Data (capture) Semantic Graph (storage) Mash-up (reuse) text experiments measurements documents data molecules data scientists oreChem – The Chemical Semantic Web University of Cambridge Cornell University Indiana University Penn State University University of Queensland University of Southampton University of Cambridge Cornell University Indiana University Penn State University University of Queensland University of Southampton At-source capture of chemistry data Chemical structure search Compound object authoring Retrospective harvesting of chemistry data Reuse through common ORE data model Semantic authoring Virtualized triple storage At-source capture of chemistry data Chemical structure search Compound object authoring Retrospective harvesting of chemistry data Reuse through common ORE data model Semantic authoring Virtualized triple storage Slide: Dr Simon Coles, Univ Soton

The Future : a Transformational Agenda?

We need to understand the value and benefits of data publishing and associated data curation / management.... and articulate them clearly Values & benefits may be: – political –economic –societal... DCC Research Data Management Forum 3 Some issues and challenges.....

1. Research quality Publications based on closed peer review Maintain reputation Demonstrate provenance Open pilots – Nature Use collective intelligence Ratings, polls, recommender systems Data publishing policy?

2. Research sustainability Ensure curation & preservation of long term scientific record including the data Requires significant investment in infrastructure Assure data security Demonstrate resilience & robustness Establish trust New business models Understand full costs

3. Research capacity & capability Multi- disciplinary team Hybrid skills New field - data informatics New roles for information professionals?

IJDC 2009 (in press) Increase capacity & capability Embed skills in LIS curriculum Develop career paths, incentivise

Take homes 1.Team science is a social activity 2.We need to advocate the value & benefits of data publishing 3.Data informatics underpins C21st scholarship

Moving to Multi-Scale Science: Managing Complexity & Diversity Thank you Slides will be available at :