PXRD raw data and modelling files for unsupported ex-situ MoS2

This dataset contains PXRD data for in-situ generated MoS2 nanoparticles; raw data as well as simulation files. Due to initial mislabeling of a structure file, some of the simulation files contain references to 4H-MoS2 where 2H-MoS2 is expected; this could not easily be changed without breaking the simulation code and so was left in. Instrument configuration files are available in the related data set \"PXRD raw data and modelling files for unsupported in-situ MoS2\" (https://doi.org/10.7910/DVN/E4MYLL)本数据集包含原位生成二硫化钼（MoS₂）纳米颗粒的X射线粉末衍射（Powder X-ray Diffraction, PXRD）数据，涵盖原始数据与模拟文件。由于初始结构文件存在标注错误，部分模拟文件本应引用2H相二硫化钼，却错误指向了4H相二硫化钼；该问题无法在不破坏模拟代码的前提下轻易修正，因此予以保留。仪器配置文件可于关联数据集"非负载型原位二硫化钼的X射线粉末衍射原始数据与建模文件（PXRD raw data and modelling files for unsupported in-situ MoS2）"（https://doi.org/10.7910/DVN/E4MYLL）中获取。