with α being a free parameter to scale the total intensity to account for the number of particles used in the MD simulations. We can thus now fit the core (hole) and shell radii, r c and r s , as well as the scattering length densities to the excluded volume scattering signal, to see if the fitted values give reasonable estimates while reproducing I EV . Fig. shows this for the absolute scattering of the solute-σ ij = 4.70 Å LJ liquid, which was chosen since the both its high-and low-q features are visible within the same scale. The top left plot in fig. shows the results of this fit. The plot shows the I 4.7 EV (q) signal (blue curve) and the scattering from the analytical form factor as dashed black lines. The bottom plot shows the fitted radii and scattering length densities. The fitted radii corresponds well with the structure of the shell encoded in the RDF, even for this simple description. The difference in fitted scattering length densities between the bulk solvent and the shell is only around 1%, which is to be expected as the two regions are made up of the same type of particles. Returning to the top left plot, we observe how the model captures the low-q increase arising from the excluded volume, but not the oscillations at longer q (see also the inset). We thus assign them to the non-homogeneous structure of the solvent shell, which cannot be captured by a continuum model, but is encoded in the cross-term RDF from which the excluded volume signal is constructed.