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Marcin Płóciennik Pozna n Supercomputing and Networking Center

Marcin Płóciennik Pozna n Supercomputing and Networking Center. OGF 23, Barcelona, Spain, June 3rd, 2008. Use case of NMR spectrometry in Virtual Laboratory. Example - NMR. Nuclear Magnetic Resonance (NMR) Spectroscopy. Virtual Laboratory ( VLab ) – R&D.

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Marcin Płóciennik Pozna n Supercomputing and Networking Center

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  1. Marcin Płóciennik Poznan Supercomputing and Networking Center OGF23, Barcelona, Spain, June 3rd, 2008 Use case of NMR spectrometry in Virtual Laboratory

  2. Example - NMR Nuclear Magnetic Resonance (NMR) Spectroscopy

  3. Virtual Laboratory (VLab) – R&D • Framework for virtual laboratories • Definition of dynamic measurement scenarios • All accessible remote facilities treatedas simple resources in the Grid infrastructure • Human factorand interactivity – important issues to be taken into account Done in co-operation with Silicon Graphics, supported by the Polish Ministry of Science and Higher Education

  4. NMR experiment contains 3 main following stages: • a scientist prepares a sample and/or input data (e.g. parameters) which will be measured/computed, • she/he uses laboratory devices to achieve datawhich is then processed by a specialized software, • Processing can include the visualization stage if it is needed to assess the results. VLab NMR use case

  5. Use case (1) • Actors • Primary • Scientist • Secondary • NMR spectrometer operator • Maintenance engineers / technicians

  6. Use case (2) • Scope • RII (instrument, network, computing, storage) • Stakeholders • Scientist • Equipment operator

  7. Use case diagram

  8. Module diagram

  9. Float chart

  10. Examples of functional requirements (1)

  11. Examples of functional requirements (2)

  12. Examples - GUI

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