with both the SAXS and the SANS curves, as seen in Figure . A quantitative description of the quality of the match between the experimental and computed curves by χ 2 is comparable to the fit of the geometrical scattering model (SI, Table ). As shown in Figure , we obtain a very peaked distribution of the micellar size, with Nagg = 90 ± 2 (and a maximum Nagg = 92), and migration of single molecules between micelles during the Metainference runs. The aggregation number predicted by the simulations is, within the uncertainty, in agreement with that obtained with the analytical fitting using a core-shell model. The remarkable agreement with the experimental and the predicted scattering curves is also evidenced by the pair distance distribution functions, P (r), shown in the figure insets. Since the molecular dynamics P (r) are computed directly from the distances between beads, and the relative scattering lengths, and not by inverse Fourier transform (IFT) methods as in the experimental case, the agreement between the two goes beyond a simple transformation of the data. These findings give us confidence that our structural ensemble reflects the experimental structures with high accuracy.