Title: A comparison of different Fourier transform procedures for analysis of diffraction data from noble gas fluids Show Chinese title

Title: 不同傅里叶变换方法在稀有气体流体衍射数据分析中的比较

Abstract: A comparison is made between the three principal methods for analysis of neutron and X-ray diffraction data from noble gas fluids by direct Fourier transform. All three methods (standard Fourier transform, Lorch modification and Soper-Barney modification) are used to analyse four different sets of diffraction data from noble gas fluids. The results are compared to the findings of a full-scale real space structure determination, namely Empirical Potential Structure Refinement. Conclusions are drawn on the relative merits of the three Fourier transform methods, what information can be reliably obtained using each method, and which method is most suitable for analysis of different kinds of diffraction data. The mathematical validity of the Lorch method is critically analysed. Show Chinese abstract

Abstract: 对三种主要方法在通过直接傅里叶变换分析惰性气体流体中中子和X射线衍射数据方面进行了比较。 所有三种方法（标准傅里叶变换、Lorch修正方法和Soper-Barney修正方法）都被用来分析来自惰性气体流体的四组不同的衍射数据。 结果与全尺寸实空间结构确定的结果进行比较，即经验势结构精修。 得出了三种傅里叶变换方法的相对优点的结论，每种方法可以可靠地获得哪些信息，以及哪种方法最适合分析不同类型的衍射数据。 对Lorch方法的数学有效性进行了批判性分析。