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Figure 1
(a) Pawley method with pV line profiles: a = 3.8913 Å, crystallite size (from peak 111) = 53.8 Å, Rwp = 3.62%; (b) same using equation (1) for the line profile: a = 3.8914 Å, crystallite diameter = 59.98 Å, Rwp = 1.28%. Input data generated from atomistic simulation for 60 Å spheres of Pd (see text for details).

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