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A comparison is made between the three principal methods for analysis ofneutron and X-ray diffraction data from noble gas fluids by direct Fouriertransform. All three methods (standard Fourier transform, Lorch modificationand Soper-Barney modification) are used to analyse four different sets ofdiffraction data from noble gas fluids. The results are compared to thefindings of a full-scale real space structure determination, namely EmpiricalPotential Structure Refinement. Conclusions are drawn on the relative merits ofthe three Fourier transform methods, what information can be reliably obtainedusing each method, and which method is most suitable for analysis of differentkinds of diffraction data. The mathematical validity of the Lorch method iscritically analysed.

A comparison of different Fourier transform procedures for analysis of diffraction data from noble gas fluids