Calculating structure factor from radial distribution curves is normal practice but in a publication is it just the real part of the structure factor which is reported or is it the magnitude i.e. (if x+iy is the S(q) corresponding to a particular q then x**2+y**2).
The structure factor S(k) as often calculated in electronic structures calculations is the Fourier transform of the radial distribution function g(r) (i.e. the function G(r) averaged over the polar and azimuthal coordinates θ and φ), where r = ||r||. As a consequence, S(q), where q = ||q||, is by construction real-valued (following the isotropy of g(r)).
For details, you may wish to consult the book Atomic and Electronic Structure of Solids, by Efthimios Kaxiras (Cambridge University Press, 2003).
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