IGUAPE, a graphical user interface for in situ/operando X-ray diffraction experiments at the PAINEIRA beamline: development and application

IF 5.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
João L. Biondo Neto, Junior Cintra Mauricio, Cristiane B. Rodella
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引用次数: 0

Abstract

Synchrotron radiation X-ray diffraction facilities equipped with fast area detectors can generate X-ray diffraction (XRD) patterns in seconds. This capability is fundamental to revealing transient crystalline phases and the structural evolution of samples and devices for technology applications. However, it generates XRD patterns usually faster than the user can process during the experiment. Thus, an open-source and user-friendly software package named IGUAPE was developed for the PAINEIRA beamline (Sirius, Brazil). It allows visualization of the X-ray diffractograms as soon as the azimuthal integration of the Debye rings is processed and the XRD pattern is created. The software can also perform a single-peak qualitative analysis of the diffraction data. Upon selecting a diffraction peak in the XRD pattern, the peak position, integrated area and full width at half-maximum variation during the in situ or operando experiment are given.

IGUAPE,用于PAINEIRA光束线上的原位/操作x射线衍射实验的图形用户界面:开发和应用
配备快速区域探测器的同步辐射x射线衍射设备可以在几秒钟内生成x射线衍射(XRD)图谱。这种能力是揭示瞬态晶相和样品和技术应用设备的结构演变的基础。然而,它生成XRD图形的速度通常比用户在实验过程中可以处理的要快。因此,为PAINEIRA光束线(Sirius, Brazil)开发了一个名为IGUAPE的开源和用户友好软件包。一旦处理了德拜环的方位积分并创建了x射线衍射图,就可以实现x射线衍射图的可视化。该软件还可以对衍射数据进行单峰定性分析。通过在XRD谱图中选取一个衍射峰,给出了在原位或操作实验中衍射峰的位置、积分面积和半最大变化时的全宽。
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来源期刊
Journal of Applied Crystallography
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.
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