Computation of small-angle scattering profiles with three-dimensional Zernike polynomials

H. Liu, R. J. Morris, A. Hexemer, S. Grandison and P. H. Zwart

Three-dimensional Zernike polynomials are employed to efficiently compute small-angle X-ray scattering (SAXS) profiles. Three-dimensional Zernike polynomials faithfully reproduce three-dimensional objects with complex surfaces, including surface-bound solvent. The resulting SAXS profiles are in good agreement with existing computational procedures.

Keywords: small-angle scattering; SAXS; Zernike polynomials; structure reconstruction.

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