Analysis of the deconvolution of X-ray diffraction profile and simultaneous calculation of Bragg angle

To eliminate the influence of experimental error, analytical function is ad opted to model the experimental profiles. Much attention has been paid to t he analysis of the effects of such factors as K alpha doublet, broadening a nd alignment of profiles etc, on the Fourier coefficients and deconvoluted profile obtained from the Stokes correction. The reliability of the separat ion of size(-) and strain(-) broadening from Fourier coefficients or deconv oluted profile is estimated. A method is proposed for the simultaneous refi nement of accurate Bragg angle from the deconvolution procedure.