Data sets for the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution"

Data sets used to prepare Figures 1-13 in the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution." The figures show (i) the measured neutron diffraction results and (ii) a comparison of several of the neutron diffraction results with those obtained from first principles molecular dynamics simulations. The data sets were created using the methodology described in the manuscript. The files are labelled according to the figure numbers. Each of the plots was drawn using QtGrace (https://sourceforge.net/projects/qtgrace/). The data set corresponding to a plotted curve within an QtGrace file can be identified by clicking on that curve. Once a data set has been identified, it can be exported in ASCII format via the DATA tab. The units for each axis are identified on the plots. An explanation of each figure is documented in the README file, and in the published paper.

本文所引用的数据集用于制备《材料前沿》杂志上发表的题为《中间相玻璃GeSe3和GeSe4的结构：利用同位素替代进行中子衍射的应用》一文中第1至13图。图示内容分别为：(i) 测量的中子衍射结果以及(ii) 几种中子衍射结果与基于第一性原理分子动力学模拟获得的结果进行比较。数据集的创建遵循了论文中描述的方法。文件命名依据图号进行。每一张图表均采用QtGrace（https://sourceforge.net/projects/qtgrace/）绘制。在QtGrace文件中，对应于绘制曲线的数据集可通过点击该曲线进行识别。一旦数据集被识别，便可通过“数据”标签导出为ASCII格式。各轴的单位均在图表中明确标识。每一张图的解释均记录在README文件及发表的论文中。