Smart Lab Smart Tea H R Mills G

Smart Lab, Smart Tea H. R. Mills, G. V. Hughes, m. c. schraefel, J. G. Frey, G. M. Smith, David De Roure Combe. Chem Project Electronics and Computer Science / School of Chemistry University of Southampton

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A digital lab book replacement that chemists were able to use, and liked.

Increasing detail Information collection Process record Measurements Processes Annotations Provenance record Service invocations Secure time-stamps etc…

Increasing detail Data model Plan Intended actions: guide to chemist, or [later] workflow Process record Measurements Processes Annotations Provenance record Service invocations Secure time-stamps etc…

Architecture Tea Client Libs SOAP PHP Viewer 0 Bench SURIG Java SURIG Data stores Weights & Measures Other services Applications Semantic Data Jena Institutional archives and metadata publication Planner 0

get. Record()

get. Observation()

get. Material()

Design discussion Handling RDF both ends – tricky Structure to data: good: clients can add what they want Ontology extensions: Uncertainty to measurements bad: clients can add what they want Is the structure you’re given navigable in the way you expect? Use of libraries solves this to some degree

Design Discussion We have an ontology (shared understanding) But. . . experiment structure is a higherlevel entity Must be created and maintained by good programming, not simply by adherence to rules of the ontology

Current & Future Work Publish@Source Generating an experiment report for publication Standard language for papers is dense, cryptic, and frequently unhelpful Explore alternative forms for publication

e. Bank publication Data sets stored for easy access via Web Metadata for experiment stored as RDF Representation of connections between data sets and concepts is RDF Domain specific structure

Smart. Lab system Data sets stored for easy access via Web Metadata for experiment stored as RDF Representation of connections between data sets and concepts is RDF Generic structure with domain-specific additions

Credits & More Information David De Roure, Jeremy Frey, Gareth Hughes, Hugo Mills, monica schraefel, Graham Smith. www. combechem. org www. smarttea. org

Process record notation Analyse a real experiment What information do chemists record? What should they record? What do they want to record? How does this differ from their experiment plan? Evolved our own graph of plan and record