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WP5 – Virtual Laboratories

WP5 – Virtual Laboratories. WP5. Deliverables D5.1 : Specific requirements for the virtual laboratories M6 D5.2 : Deployment of Specification of the three virtual laboratories M18 D5.3 : Report on the implementation of the three virtual laboratories M30

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WP5 – Virtual Laboratories

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  1. WP5 – Virtual Laboratories

  2. WP5 • Deliverables • D5.1: Specific requirements for the virtual laboratories M6 • D5.2: Deployment of Specification of the three virtual laboratories M18 • D5.3: Report on the implementation of the three virtual laboratories M30 • Tasks taken over by HASYLAB / Rainer Gehrke / Thorsten Kracht / N.N. • First steps • Define Nexus Format for the 3 use cases • Workshop 02/2012 in Hamburg to finalize the definitions + pHDF5/NeXus • Possibly in conjunction with CDM to permit stepwise migration • Define typical “workflows” • Typical procedures from different labs • Software typically used -> links to software repository • Need typical search keywords, to make sure they’re kept in metadata • Step beyond (next proposal??) • Define community specific database • Interface search to such database

  3. WP5 • Objectives • To deploy a set of integrated end-to-end user and data services supporting three specific techniques: • Structural 'joint refinement' against X-ray & neutron powder diffraction data • Simultaneous analysis of SAXS and SANS data for large scale structures • Access to tomography data exemplified through paleontological samples • Tasks: • For each of the three techniques undertake: • requirements capture in report on existing tools used. • iterative use of the new tools as they are developed. • evaluation of the new support (how does the new support compare to the old) • Structural 'joint refinement' against X-ray & neutron powder diffraction data. • Raw data searched for by an authenticated user through the data catalogues. • Access is authorised and data downloaded from facility archives. • Relevant analysis software searched for in software database. • Software downloaded and run locally or at facility. • Analysis carried out. • Results and any relevant reduced data uploaded to facility archives.

  4. WP5 • Activities • Joint structural refinement: • Identified nice /challenging project • Virus structures recently measured at ISIS/DLS • Some activities for pHDF5 at DLS and GPU-ports in co-operation with KIT • Workflow well defined (can use xia2 / available as distributable packages) • Tomography • pHDF5 work in progress • Parallelized reconstruction sw • SAXS / SANS • Pluggable analysis framework being developed. • Might serve as a workflow implementation • NeXus definitions essentially complete

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