ResoFox：一个基于gui的计算中子粉末衍射仪分辨率和相对强度的工具

IF 2.4 4区计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING

SoftwareX Pub Date : 2025-07-28 DOI:10.1016/j.softx.2025.102292

Li-Fang Chen

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引用次数: 0

摘要

ResoFox是一个基于python的GUI工具，用于分析基于经典Caglioti模型的中子粉末衍射仪的分辨率。它计算了不同光学设置下衍射图的FWHM、角分辨率和相对强度，并支持FCC和BCC衍射图的模拟。用户可以通过直观的界面输入关键参数，并实时可视化输出。对理论图和McStas的基准测试证实了其准确性。ResoFox帮助早期的仪器设计，教育用途，以及光束线科学家和用户之间的沟通。提供Windows独立版本。本文通过理论分析和蒙特卡罗对比，详细介绍了软件的特点和验证。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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ResoFox: A GUI-based tool for calculating resolution and relative intensity of neutron powder diffractometers

ResoFox is a Python-based GUI tool for analyzing the resolution of neutron powder diffractometers based on the classical Caglioti model. It calculates FWHM, angular resolution, and relative intensity in diffraction patterns under various optical settings, and supports simulation of FCC and BCC diffraction patterns. Users can input key parameters via an intuitive interface, with real-time visual output. Benchmarking against theoretical plots and McStas confirms its accuracy. ResoFox aids early-stage instrument design, educational use, and communication between beamline scientists and users. A Windows standalone version is provided. This paper details the software’s features and validation through theory and Monte Carlo comparison.

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来源期刊

SoftwareX COMPUTER SCIENCE, SOFTWARE ENGINEERING-

CiteScore

5.50

自引率

2.90%

发文量

184

审稿时长

9 weeks

期刊介绍： SoftwareX aims to acknowledge the impact of software on today''s research practice, and on new scientific discoveries in almost all research domains. SoftwareX also aims to stress the importance of the software developers who are, in part, responsible for this impact. To this end, SoftwareX aims to support publication of research software in such a way that: The software is given a stamp of scientific relevance, and provided with a peer-reviewed recognition of scientific impact; The software developers are given the credits they deserve; The software is citable, allowing traditional metrics of scientific excellence to apply; The academic career paths of software developers are supported rather than hindered; The software is publicly available for inspection, validation, and re-use. Above all, SoftwareX aims to inform researchers about software applications, tools and libraries with a (proven) potential to impact the process of scientific discovery in various domains. The journal is multidisciplinary and accepts submissions from within and across subject domains such as those represented within the broad thematic areas below: Mathematical and Physical Sciences; Environmental Sciences; Medical and Biological Sciences; Humanities, Arts and Social Sciences. Originating from these broad thematic areas, the journal also welcomes submissions of software that works in cross cutting thematic areas, such as citizen science, cybersecurity, digital economy, energy, global resource stewardship, health and wellbeing, etcetera. SoftwareX specifically aims to accept submissions representing domain-independent software that may impact more than one research domain.