X射线衍射线形Fourier变换

采用计算机辅助实验技术，研究X射线衍射线开在仪器宽化修正过程中Fourier系数变化的规律及其影响，结果表明，只要实测线形接近Gauss 分布，Fourier变换就会导致弯勾效应；Forier变换可引起真实线形的尾部波动及大于实际值的宽化，引入边界条件可予以消除，Kα双线形经过Fourier变换后，Fourier纱数与真实Fourier系数存在着一定的差异。通过真实线形的Fourier变换可以修正。

THE FOURIER TRANSFORMATION OF X-RAY DIFFRACTION PROFILES

Computer-aided experimental technique was adopted to analysis the variance regularity of Fourier coefficients in the Stokes correction of X-ray diffraction profile. The hook effect occurs when the experimental profiles approach Gauss distribution. The Fourier transforms may result in spurious oscillations and more broadening of the real profile, which can be eliminated by introducing a critical condition. The Fourier coefficients obtained from the Stokes correction of Ka doublet profile are found to deviate from the real values obtained from that of singlet profile, which may be refined through the Fourier transformation of the deconvoluted(real) profile.