iPowder: advanced software for automated high-throughput X-ray diffraction analysis

IF 5.2 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Applied Crystallography Pub Date : 2025-02-01 DOI:10.1107/S1600576724012160

Shihui Chang, Binfeng Lv, Wanting Yang, Cheng Dong, Nebil A. Katcho, Shixun Cao, Jincang Zhang, Juan Rodriguez-Carvajal, Zhenjie Feng

引用次数: 0

Abstract

In the burgeoning era of materials genomics, the need for fast and accurate X-ray diffraction (XRD) analysis has never been greater. To accommodate the rapid data generation of high-throughput XRD experiments, a new and powerful computer program, iPowder, has been developed. Not only does it have an efficient and straightforward graphical user interface but it also excels in high-throughput data analysis. The main function of the program is the rapid processing of datasets. This paper presents the convenient functionalities provided by iPowder for high-throughput XRD data analysis.

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iPowder：先进的自动化高通量x射线衍射分析软件

在材料基因组学蓬勃发展的时代，对快速准确的x射线衍射（XRD）分析的需求从未像现在这样大。为了适应高通量XRD实验的快速数据生成，开发了一个新的强大的计算机程序iPowder。它不仅具有高效和直观的图形用户界面，而且在高吞吐量数据分析方面也表现出色。该程序的主要功能是快速处理数据集。本文介绍了iPowder为高通量XRD数据分析提供的方便功能。

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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来源期刊

Journal of Applied Crystallography CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.80

自引率

3.30%

发文量

178

期刊介绍： Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.