Toward a quantitative description of solvation structure: a framework for differential solution scattering measurements

Thompson, N.B.; Mulfort, K.L.; Tiede, D.M.

doi:10.1107/S2052252524003282

Figure 3
Various approximations to ΔG. Each plot compares the exact ΔG (solid blue line) from the simulated experiment with various models (ΔG_model, solid black line), as indicated, of increasing complexity. The residuals are shown below in gray. Data are the Fourier transforms of those in Fig. 2