Fig. 2. (a) Exemplary diffraction pattern. (b) Illustration of the non-iterative least-squares ellipse fitting to {220} for accurate center finding. (c) Illustration of distortion modelling in polar coordinates to {220} based on eqn (2): Besides the full function, the underlying distortions of kth order are drawn. Note that the beam stopper crosses the {220} ring at 1.5π. (d) Fit of the Voigt functions to the prominent Bragg peaks and (e) the residual background utilized for creating initial guesses for a combined spectrum modelling as shown in (f).
