Peak width parameters: ====================== see, for instance, http://www.mail-archive.com/rietveld_l@ill.fr/msg03908.html from where this text has been extracted. Have a look at Young, R. A. & Desai, P. 1989, 'Crystallite Size and Microstrain Indicators in Rietveld Refinement', Archiwum Nauki o Materialach, vol. 10, no. 1-2, pp. 71-90. They talk about the Thompson, Cox and Hastings model, which explicitly separates the gaussian and lorentzian components of a psuedo-Voight peak shape. FWHM(G)^2 = U tan^2(T) + V tan(T) + W FWHM(L) = X tan(T) + Y/cos(T) The coefficients can be broken into instrumental and sample (size, strain) components. U = U_inst + U_strain V = V_inst W = W_inst X = X_inst + X_strain Y = Y_inst + Y_size You can fix the instrument components with your standard, and then refine the difference with your sample. If you want to stick with the straight UVW symbolism, Young and Desai also state that you can use the size broadening term FHWM(G)^2 = Z/cos^2(T), which yields: FWHM(G)^2 = Z/cos^2(T) + (U_inst + U_strain) tan^2(T) + V_inst tan(T) + W_inst which can be re-written as FWHM(G)^2 = (U_inst + U_strain + Z_size) tan^2(T) + V_inst tan(T) + (W_inst + Z_size) as long as you constrain the two Z_size's to be the same.