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Figure 3
(a) Plots of fAlB&K and the fitted fAllocal showing the contributions of each term in equation (5[link]). (b) Magnifying the region 1 Å−1s ≤ 3 Å−1 in (a) shows that the fAlB&K values calculated by the ATOM subroutine are negative at intermediate values of s. Equation (5[link]), which constitutes fjlocal and approximates fjB&K, is always positive. In the present case of aluminium (j = Al) and beam electrons with E0 = 200 keV, the Lorentzian component dominates fAllocal for values of s > 1.2 Å−1.

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