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Acknowledgement is made to The International Centre For Diffraction Data and Canadian Institute for Neutron Scattering for sponsorship and support of this workshop.
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Workshop Organizers: Lachlan Cranswick, Nattamai Bhuvanesh.
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| 09:00 - 09:20 AM |
Morning: Structure Solution and Data Processing. Structure Solution. Powder indexing of difficult cells using the indexing options within Topas. Peter W. Stephens, Dept. of Physics & Astronomy, State University of New York Stony Brook, New York, USA.
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| 09:20 - 09:40 AM |
Structure Solution. Indexing proteins using Crysfire and McMaille, and solving proteins using PSSP. Robert VonDreele, IPNS and APS, Argonne National Laboratory, Argonne, Illinois, USA.
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| 09:40 - 10:00 AM |
Data Processing. Data processing in preparation for PDF analysis using PDFgetX2. Simon Billinge, Dept. of Physics and Astronomy, Michigan State University, USA.
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| 10:00 - 10:20 AM |
Structure Solution. Solving Hydride Structures With Fox. Radovan Cerny, Univ. Of Geneva, Switzerland.
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| 10:20 - 11:00 AM |
Coffee Break and User Problems Discussed with Presenters.
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| 11:00 - 11:20 AM |
Structure Solution. Solving Magnetic Structures Where There Might Not Be A Unique Solution Using Fullprof. Juan Rodriguez- Carvajal, Laboratoire Leon Brillouin And Service De Physique Statistique, Magnetisme Et Supracondutivite Magnetisem Et Diffraction Neutronique.
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| 11:20 - 11:40 AM |
Structure Solution. Solving Organics and Organometallics Using Powdersolve. James Kaduk, BP Amoco Research Center, Naperville, IL, USA.
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| 11:40 - 12:00 AM |
Structure Solution. Solving Complex Inorganic And Framework Structures Using Fox. Radovan Cerny, Univ. Of Geneva, Geneva, Switzerland.
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| 12:00 - 12:20 AM |
Structure Solution. Solving Pharmaceutical Compounds and Other Organics Using DASH. Kenneth Shankland, ISIS Pulsed Neutron & Muon Sources, Rutherford Appleton Laboratory, Chilton, Didcot, UK.
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| 12:20 - 01:40 AM |
Lunch Break.
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| 01:40 - 02:00 PM |
Structure Refinement Difficult Refinements. Refining large organics using Topas. Nattamai Bhuvanesh, X-ray Diffraction Laboratory, Dept. of Chemistry, Texas A & M University, Texas, USA.
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| 02:00 - 02:20 PM |
Difficult Refinements. Refining organics and organometallics in GSAS Jim Kaduk, BP Amoco Research Center, Naperville, Illinois, USA.
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| 02:20 - 02:40 PM |
Difficult Refinements. Restrained refinement using Reflex Peter Zavalij, Institute for Material Research & Chemistry, Dept., State University of New York at Binghamton, Binghamton, New York, USA.
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| 02:40 - 03:00 PM |
Difficult Refinements. Refinement of disordered structures involving Pair Distribution Functions data using Discuss. Thomas Proffen, Los Alamos Neutron Science Center, Los Alamos National Laboratory, New Mexico, USA.
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| 03:00 - 04:00 PM |
Coffee Break and User Problems Discussed with Presenters.
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| 04:00 - 04:20 PM |
Difficult Refinements. Refining large inorganics using Topas. Arnt Kern, Bruker AXS, Karlsruhe, Germany.
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| 04:20 - 04:40 PM |
Difficult Refinements. Using Combined X-ray/Neutron Data and Restrained Refinement of Large Inorganics in GSAS. Lachlan Cranswick, Neutron Program For Materials Research, National Research Council, Chalk River Laboratories, Chalk River, Ontario, Canada K0J 1JO.
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| 04:40 - 05:00 PM |
Difficult Refinements. Author's recommendations for setup of Fullprof for magnetic structure refinement. Juan Rodriguez- Carvajal, Laboratoire Leon Brillouin (CEA-CNRS) and Service de Physique Statistique, Magnetisme et Supracondutivite Magnetisme et Diffraction Neutronique.
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| 05:00 - 05:20 PM |
Difficult Refinements, Refining proteins using GSAS. Robert Von Dreele, IPNS and APS; Argonne National Laboratory, Argonne, Illinois, USA.
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| 05:20 - 05:30 PM |
Closing Remarks.
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Last updated: Tue Jul 25 17:27:10 2006