ITR: A Versatile, Extensible System for Neutron Scattering Data Visualization and Analysis

University Of Wisconsin-Stout, Menomonie WI

Investigators

Abstract

This is a grant funded through the Information Technology Research (ITR) initiative. The award is to a predominantly undergraduate institution. Time-of-flight neutron scattering experiments provide important insights into the structure and dynamics of materials. These experiments are critical for academic and applied research and are carried out at a small number of advanced research facilities around the world, including the Intense Pulsed Neutron Source (IPNS) Division at Argonne National Laboratory (ANL). To utilize these resources effectively, this project will develop a freely available, platform-independent, Java-based system for access, visualization and analysis of neutron scattering data. Initial work has already been undertaken. The result of this initial work is an Integrated Spectral Analysis Workbench (ISAW). ISAW is, in principle, applicable to data from a wide variety of sources and is extensible by users of the system both through "plug-in" operators written in Java and through a basic scripting language. The system provides some highly interactive visualizations, analyses and transformations of neutron scattering data in real time for some instrument types. The current project will add important new capabilities to ISAW. Single crystal diffractometers that utilize multiple area detectors and LPSD's to obtain volumes of data as a function of time-of-flight pose unique problems. There is a large amount of data and the data is not regularly gridded. These problems are exacerbated when the data is mapped into Q-space or reciprocal space. This project will construct operators and 3-D viewers that allow scientists to view, select and manipulate data from such instruments in scientifically meaningful spaces. In addition, the project will add interactive data modeling and extensive data access capabilities to ISAW. Specifically, access to raw time-of-flight event data and data from ancillary equipment will be added. Support for importing and exporting data will be extended to the file formats NeXus, XML, and some site-specific formats from other neutron facilities. This is a grant funded through the Information Technology Research (ITR) initiative. The award is to a predominantly undergraduate institution. Time-of-flight neutron scattering experiments provide important insights into the structure and dynamics of materials. These experiments are critical for academic and applied research and are carried out at a small number of advanced research facilities around the world, including the Intense Pulsed Neutron Source (IPNS) Division at Argonne National Laboratory (ANL). To utilize these resources effectively, this project will develop a freely available, platform-independent, Java-based system for access, visualization and analysis of neutron scattering data. Initial work has already been undertaken. The result of this initial work is an Integrated Spectral Analysis Workbench (ISAW). ISAW is, in principle, applicable to data from a wide variety of sources and is extensible by users of the system both through "plug-in" operators written in Java and through a basic scripting language. The system provides some highly interactive visualizations, analyses and transformations of neutron scattering data in real time for some instrument types. The current project will add important new capabilities to ISAW. Single crystal diffractometers that utilize multiple area detectors and LPSD's to obtain volumes of data as a function of time-of-flight pose unique problems. There is a large amount of data and the data is not regularly gridded. These problems are exacerbated when the data is mapped into Q-space or reciprocal space. This project will construct operators and 3-D viewers that allow scientists to view, select and manipulate data from such instruments in scientifically meaningful spaces. In addition, the project will add interactive data modeling and extensive data access capabilities to ISAW. Specifically, access to raw time-of-flight event data and data from ancillary equipment will be added. Support for importing and exporting data will be extended to the file formats NeXus, XML, and some site-specific formats from other neutron facilities.