Figure 8
Electron scattering of naphthalene using different s-ranges for structure determination: (a)–(d) The best fit geometry for each s-range (solid) versus the reference structure Rtarg (translucent), where s ∈ [smin, smax] = [0, 4], [0, 8], [0, 24], [8, 24] Å−1. (Top) The IAM best fits to the ab initio electron scattering calculated at Rtarg as a function of s-range. The smax > 4 Å−1 curves are shifted vertically for visibility. (Middle) The percent difference [equation (3)] (solid black line) for the lowest ζtarg structure. For comparison, is also shown, using IIAM(s; Rtarg) and Iabinitio(s; Rtarg). (Bottom) Bar chart showing the MAPD [equation (6)] and ζsignal for each value of [smin, smax]. |