C 21 st Scholarship Data as an Agent

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C 21 st Scholarship: Data as an Agent for Change Dr Liz Lyon, Director,

C 21 st 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 2009 UKOLN is supported. by: This work is licensed under a Creative Commons Licence Attribution-Share. Alike 2. 0 www. ukoln. ac. uk A centre of expertise in digital information management

Perspectives 1. The 21 st. C Scholar : Team Science in the Cloud 2.

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

The 21 st. C Scholar : Team Science in the Cloud http: //www. flickr.

The 21 st. C Scholar : Team Science in the Cloud http: //www. flickr. com/photos/wwarby/3632317031/

What does the C 21 st research(er) look like? • “From users to choosers”

What does the C 21 st research(er) look like? • “From users to choosers” (Yanosky) • Pro-sumers (Toffler) • Digital nomads • Work on the Webtop http: //www. flickr. com/photos/shankrad/2905938179/ • Multi-scale & complex • Highly data-intensive • Increasingly “open” http: //www. flickr. com/photos/stormsriver/2286011597/

“Continuum of Openness”? OPEN CLOSED

“Continuum of Openness”? OPEN CLOSED

What do we mean by Team Science? • Science as a social activity Tweet

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

 • Data is: A new digital economy? – On demand – A utility

• Data is: A new digital economy? – 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…. . http: //www. flickr. com/photos/will-lion/2738252562/ • Economies of scale • Network effects • New data publishing business models

Chemical Crystallography : Data Publishing Showcase http: //www. flickr. com/photos/thomasreichart/2130018485/sizes/l/

Chemical Crystallography : Data Publishing Showcase http: //www. flickr. com/photos/thomasreichart/2130018485/sizes/l/

Slide: Dr Simon Coles, Univ Soton Data Deluge “ 40 years ago a Ph.

Slide: Dr Simon Coles, Univ Soton Data Deluge “ 40 years ago a Ph. D student would determine about 3 crystal structures for their thesis – this can now be easily achieved in a day” 0. 5 million 35 million 2. 5 million ‘Few thousand’ A bottleneck : the primary cause is the current data publication process, which is tied to journal articles

L d t h ig : e l a c s. i. t l

L d t h ig : e l a c s. i. t l … u e M rc u o S n o m a i D m o fr

h c n e b ry e h t o. t. … o t

h c n e b ry e h t o. t. … o t a r o b La

e. Crystals Team Domain (Chemists) Computer science Informatics Simon Coles, Mike Hursthouse, Jeremy Frey,

e. Crystals Team Domain (Chemists) Computer science Informatics Simon Coles, Mike Hursthouse, Jeremy Frey, Cameron Neylon, Andrew Milsted, Richard Stephenson, Jamie Robinson, Steven Wilson, Andrew Bailey, Mark Borkum Dave De. Roure, 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

e. Crystals Data Repository • Quick & simple to deposit • Software tools •

e. Crystals Data Repository • Quick & simple to deposit • Software tools • Laboratory archive • Community involvement • ‘Embargo’ facility • Structured foundations • Discoverable & harvestable http: //ecrystals. chem. soton. ac. uk

Data sustainability Trust Standards Audit and certification tools • TRAC • DRAMBORA e. Crystals

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

Data Discovery & Access “Community Criteria for Interoperability” (Scaling Up Report 2008) • Domain

Data Discovery & Access “Community Criteria for Interoperability” (Scaling Up Report 2008) • Domain data format standard: CIF • Domain data validation standard: Check. CIF • Metadata schema: e. Crystals Application Profile http: //www. ukoln. ac. uk/projects/ebank-uk/schemas/ • Crystallography Data Commons: TIDCC Data Model in development • Embargo & Rights http: //ecrystals. chem. soton. ac. uk/rights. html • Domain identifier: International Chemical Identifier • Citation & linking: DOI http: //dx. doi. org/10. 1594/ecrystals. chem. soton. ac. uk/145

Paris, March 2009

Paris, March 2009

Memorandum of Understanding “ “

Memorandum of Understanding “ “

http: //wiki. ecrystals. chem. soton. ac. uk/index. php/Main_Page Dr Simon Coles, Univ Southampton

http: //wiki. ecrystals. chem. soton. ac. uk/index. php/Main_Page Dr Simon Coles, Univ Southampton

Slide of data services : Crystal. Eye, Crystal Web, Chemxseer etc search structures check

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

. . . federated search. . .

. . . federated search. . .

structure search. . .

structure search. . .

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

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

Publishing and sharing methodologies. . .

Publishing and sharing methodologies. . .

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

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

Slide: Dr Simon Coles, Univ Soton ore. Chem – The Chemical Semantic Web •

Slide: Dr Simon Coles, Univ Soton ore. Chem – The Chemical Semantic Web • • 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 • • • University of Cambridge Cornell University Indiana University Penn State University of Queensland University of Southampton Mash-up (reuse) Semantic Graph (storage) experiments text documents measurements data Data (capture) scientists molecules data molecules 27

The Future : a Transformational Agenda? http: //www. flickr. com/photos/cyber_chof/1246303241/sizes/m/

The Future : a Transformational Agenda? http: //www. flickr. com/photos/cyber_chof/1246303241/sizes/m/

We need to understand the value and benefits of data publishing and associated data

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 •

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

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 • Multidisciplinary team • Hybrid skills • New field

3. Research capacity & capability • Multidisciplinary team • Hybrid skills • New field data informatics • New roles for information professionals?

IJDC 2009 (in press) • Increase capacity & capability • Embed skills in LIS

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

Take homes 1. Team science is a social activity 2. We need to advocate the value & benefits of data publishing 3. Data informatics underpins C 21 st scholarship

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

Moving to Multi-Scale Science: Managing Complexity & Diversity Thank you Slides will be available at : http: //www. ukoln. ac. uk/ukoln/staff/e. j. lyon/presentations. html http: //www. dcc. ac. uk/