Opening the Research Data Lifecycle Workshop Capturing and

Opening the Research Data Lifecycle Workshop ‘Capturing and Sharing Research Data’ Simon Coles School of Chemistry, University of Southampton, U. K. s. j. coles@soton. ac. uk This work is licensed under a Creative Commons Licence Attribution-Share. Alike 3. 0 http: //creativecommons. org/licenses/by-sa/3. 0/

Current Situation - Data Generation Synthesis Characterisation

Current Situation – Data Management “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 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)

Current Situation – Data and Publishing

Separating Data from Interpretations Intellect & Interpretation (Journal article, report, etc) Underlying data (Institutional data repository)

Smart Labs

Laboratory IRs and Information Management

The R 4 L Repository Create new compound Add experiment data and metadata Deposit Search / Browse

Blogging Experiments A repository can… • Allow one to put, store and get digital objects • Provide minimal search and browse functions • NOT provide the presentation and discussion functions essential to a scientific study • Social networking tools and approaches can provide a way…

Data and Blogs • Developing relationship between Blog and R 4 L repository: social networking tools and broker technology • Repository back-end, Blog for sharing data with collaborators and developing ideas / conclusions based on data • Journal articles link to repository record

Facilitating Research • Facilitates ‘geographically distributed collaborative research’ • Useful approach for sharing ‘failed’ experiments?

Machines Blogging Experiments • Automatic upload by scientific instrument

Comments and Annotation • A picture says a thousand words! • Chemists like to sketch! • Need for more advanced Blog tools / technology

my. Experiment • Sharing workflows in a VRE

Current Situation - Data Deluge 1. 5, 000 30, 000 450, 000

Laboratory Data Management and Archive

The e. Crystals Public Data Archive http: //ecrystals. chem. soton. ac. uk

NCS Data Publication Policy • Joint publication: Timed release of data tied to conventional journal article • Separate publication: Independent release of data so that it can be cited e. g. from a journal article, grant report, poster • ‘Accidental’ or ‘undesired’ results: Immediate release after agreement with concerned parties • Never to be formally published results: Automatic release after three years • Embargo feature: default 3 years, but timescale can be defined by depositor • Record can be made public at any time (following agreement from all concerned parties) • Roles of all concerned parties defined (originator, etc) • Data citation, DOI, Rights http: //www. ncs. chem. soton. ac. uk/pub_pol. htm

Linking and aggregating • Link data and associated ‘publications’ • Dataset annotated with metadata http: //www. rsc. org/Publishing/Jour nals/Project. Prospect/index. asp http: //www. ukoln. ac. uk/projects/ ebank-uk/pilot/ • Semantic publishing on WWW and in journals

e. Crystals ‘Global Federation’ Model Data creation & capture in “Smart lab” Data discovery, linking, citation Presentation services / portals Data discovery, linking, citation Publishers: peerreview journals, conference proceedings, etc Aggregator services Search, harvest Publication Deposit Data analysis Laboratory repository Deposit , Validation Institutional data repositories Validation Search, harvest Subject Repository Deposit Curation Preservation Deposit Institution Library & Information Services

Changing Times! Information Consumers Information Providers All I am saying is that now is the time to develop the technology to deflect an asteroid