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Easy‐to‐use indirect Fourier transformation routines for evaluation of slit‐length‐smeared SAXS curves of polystyrene in solution
Author(s) -
Kube O.,
Springer J.
Publication year - 1987
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188988708717x
Subject(s) - small angle x ray scattering , fourier transform , transformation (genetics) , slit , nonlinear system , range (aeronautics) , curve fitting , gaussian , polystyrene , fourier series , mathematical analysis , mathematics , materials science , scattering , physics , optics , chemistry , polymer , computational chemistry , statistics , composite material , biochemistry , quantum mechanics , gene
Two easy‐to‐use indirect Fourier‐transformation routines for the evaluation of slit‐length‐smeared SAXS curves of polystyrene in solution are demonstrated. For approximation of the SAXS curve, analytically transformable Gaussian and Lorentzian functions are chosen. The nonlinear least‐squares fit is transformed to a linear one by specifying fixed non‐linear coefficients. The fit is constrained by allowing only positive linear coefficients. The range over which nonlinear coefficients have to be specified can be easily obtained from the SAXS curve. An exact specification of this range is unnecessary for the fit. The method allows direct and clear control of the indirect Fourier transformation.