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

这是一项由信息技术研究（ITR）计划资助的拨款。该奖项授予以本科生为主的院校。飞行时间中子散射实验提供了对材料结构和动力学的重要见解。这些实验对学术和应用研究至关重要，在世界各地的少数先进研究设施中进行，包括阿贡国家实验室（ANL）的强脉冲中子源（IPNS）部门。为了有效地利用这些资源，本项目将开发一个免费的、独立于平台的、基于java的系统，用于访问、可视化和分析中子散射数据。已经进行了初步工作。这项初步工作的结果是集成光谱分析工作台（ISAW）。ISAW原则上适用于各种来源的数据，系统用户可以通过用Java编写的“插件”操作符和基本脚本语言对其进行扩展。该系统为某些仪器类型的中子散射数据提供了高交互性的实时可视化、分析和转换。目前的项目将为ISAW增加重要的新能力。单晶衍射仪利用多个区域探测器和LPSD来获得大量的数据作为飞行时间的函数，这带来了独特的问题。有大量的数据，数据没有规则网格化。当数据映射到q空间或互反空间时，这些问题就会加剧。该项目将构建操作员和3-D观看器，使科学家能够在具有科学意义的空间中查看、选择和操作这些仪器的数据。此外，该项目还将为ISAW增加交互式数据建模和广泛的数据访问能力。具体来说，将增加对原始飞行时间事件数据和辅助设备数据的访问。对导入和导出数据的支持将扩展到文件格式NeXus、XML和其他中子设施的一些特定于站点的格式。这是一项由信息技术研究（ITR）计划资助的拨款。该奖项授予以本科生为主的院校。飞行时间中子散射实验提供了对材料结构和动力学的重要见解。这些实验对学术和应用研究至关重要，在世界各地的少数先进研究设施中进行，包括阿贡国家实验室（ANL）的强脉冲中子源（IPNS）部门。为了有效地利用这些资源，本项目将开发一个免费的、独立于平台的、基于java的系统，用于访问、可视化和分析中子散射数据。已经进行了初步工作。这项初步工作的结果是集成光谱分析工作台（ISAW）。ISAW原则上适用于各种来源的数据，系统用户可以通过用Java编写的“插件”操作符和基本脚本语言对其进行扩展。该系统为某些仪器类型的中子散射数据提供了高交互性的实时可视化、分析和转换。目前的项目将为ISAW增加重要的新能力。单晶衍射仪利用多个区域探测器和LPSD来获得大量的数据作为飞行时间的函数，这带来了独特的问题。有大量的数据，数据没有规则网格化。当数据映射到q空间或互反空间时，这些问题就会加剧。该项目将构建操作员和3-D观看器，使科学家能够在具有科学意义的空间中查看、选择和操作这些仪器的数据。此外，该项目还将为ISAW增加交互式数据建模和广泛的数据访问能力。具体来说，将增加对原始飞行时间事件数据和辅助设备数据的访问。对导入和导出数据的支持将扩展到文件格式NeXus、XML和其他中子设施的一些特定于站点的格式。

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.