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

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