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College Park, Maryland      June 6 - 10 , 2004

WP74: New Software for Single Crystal, Time-of-Flight Neutron Scattering Instruments

Dennis Mikkelson (University of Wisconsin-Stout), Arthur Schultz (Argonne National Laboratory), Peter Peterson (Oak Ridge National Laboratory), Ruth Mikkelson (University of Wisconsin-Stout), Thomas Worlton, John Hammonds, John Cowan, Martha Miller (Argonne National Laboratory), Chris Bouzek, Michael Miller (University of Wisconsin-Stout)

Single crystal time-of-flight neutron scattering experiments provide information about three dimensional regions in reciprocal space. A new set of software tools for single crystal diffractometers has been developed. The software includes components for instrument calibration, data visualization, finding and indexing peaks, fitting orientation matrices and peak integration. The instrument calibration software adjusts multiple instrument parameters to minimize the sum squared differences between calculated peak positions and measured peak positions in reciprocal space, for a known sample. User friendly "wizards" guide the user through the data reduction process. This software is currently in use at the single crystal diffractometer at IPNS and can process single crystal data from NeXus files. This software was developed in the context of the Integrated Spectral Analysis Workbench (ISAW) project at the Intense Pulsed Neutron Source Division of Argonne National Laboratory, with support from the National Science Foundation.

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