FIG. 4.

(Left) Scattering amplitude of water ${\tilde{F}}_{\mathit{hyd}}\left(q\right)$ around lysozyme extracted from the sqrt subtraction (black) in comparison with those computed directly from the water distribution (red). The difference between those two, as shown in the inset, is negligible at small angle. (Right) Pair distance distribution function (PDDF) of water in the hydration shells computed for two curves in the left by indirect Fourier transformation of ${\tilde{F}}_{\mathit{hyd}}^2\left(q\right)$. Also shown in blue is the PDDF calculated by using the direct method in real space (see Section V C for more details).