Méthode directe de correction des profils de raies de diffraction des rayons X. I. Méthode numérique de déconvolution

A new method of correction of X-ray powder diffraction line profiles by deconvolution is being developed. The convolution equation, representing the phenomenon of deformation of a true diffraction line profile, is approached with the help of a quadrature formula by a system of linear equations. The bad conditioning of this system has led to the use of a stabilization method enabling one to obtain a result converging to the true solution which satisfies the physical phenomenon. The quadrature formulae which are used are described. This method has been programmed in Fortran II for the IBM 1620.