Nasir Jamal, Steinbrück Nils, Xu Ke, Engelen Bernward, Schmedt Auf der Günne Jörn
Inorganic Materials Chemistry and Center of Micro- and Nanochemistry and Engineering (Cμ), Department of Chemistry and Biology, Faculty IV: School of Science and Technology, University of Siegen, Adolf-Reichwein-Straße 2, Siegen, Nordrhein-Westfalen D-57076, Germany.
Inorganic Chemistry I, Department of Chemistry and Biology, Faculty IV: School of Science and Technology, University of Siegen, Adolf-Reichwein-Straße 2, Siegen, Nordrhein-Westfalen D-57076, Germany.
J Appl Crystallogr. 2022 Aug 24;55(Pt 5):1097-1103. doi: 10.1107/S160057672200677X. eCollection 2022 Oct 1.
A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X-ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2θ scale against a known reference material. It is shown using LaB that the exported X-ray diffraction patterns provide a 2θ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.
配备成像板的吉尼尔相机用于研究和消除影响所获扫描吉尼尔数据质量的仪器误差源。本文展示了一个具有图形用户界面的程序，该程序可将扫描图像的数据转换为包含强度、其标准偏差和衍射角的粉末X射线图谱的不同标准文件格式。该程序还允许针对已知参考材料对2θ刻度进行手动和自动校正。使用LaB表明，导出的X射线衍射图谱提供了足够可重现的2θ刻度，以允许对同一样品成像板不同曝光所获得的衍射图进行平均。如在NaCl和方钠石的混合物上所示，所产生数据的质量足以进行Rietveld精修。包括源代码在内的该软件以自由软件许可提供。
