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

这是一笔通过信息技术研究(ITR)倡议资助的赠款。该奖项授予一所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的强流脉冲中子源部门。为了有效利用这些资源，该项目将开发一个免费可用的、独立于平台的、基于Java的系统，用于获取、可视化和分析中子散射数据。初步工作已经展开。这项初步工作的结果是一个综合光谱分析工作台(ISAW)。ISAW原则上适用于来自各种来源的数据，并可由系统用户通过用Java编写的“插件”操作符和基本脚本语言加以扩展。该系统为某些类型的仪器提供了高度交互的实时中子散射数据的可视化、分析和转换。本项目将为ISAW增加重要的新功能。单晶衍射仪利用多个面积探测器和LPSD来获得作为飞行时间函数的数据量，这带来了独特的问题。数据量很大，数据不是定期网格化的。当数据被映射到Q空间或倒数空间时，这些问题会加剧。该项目将构建操作员和3-D查看器，允许科学家在具有科学意义的空间中查看、选择和操作此类仪器的数据。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来自辅助设备的数据的访问。对导入和导出数据的支持将从其他中子设施扩展到Nexus、XML和一些特定于站点的格式。这是一项由信息技术研究(ITR)倡议资助的赠款。该奖项授予一所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的强流脉冲中子源部门。为了有效利用这些资源，该项目将开发一个免费可用的、独立于平台的、基于Java的系统，用于获取、可视化和分析中子散射数据。初步工作已经展开。这项初步工作的结果是一个综合光谱分析工作台(ISAW)。ISAW原则上适用于来自各种来源的数据，并可由系统用户通过用Java编写的“插件”操作符和基本脚本语言加以扩展。该系统为某些类型的仪器提供了高度交互的实时中子散射数据的可视化、分析和转换。本项目将为ISAW增加重要的新功能。单晶衍射仪利用多个面积探测器和LPSD来获得作为飞行时间函数的数据量，这带来了独特的问题。数据量很大，数据不是定期网格化的。当数据被映射到Q空间或倒数空间时，这些问题会加剧。该项目将构建操作员和3-D查看器，允许科学家在具有科学意义的空间中查看、选择和操作此类仪器的数据。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来自辅助设备的数据的访问。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站点格式。

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.