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In condensed matter physics and crystallography, the static structure factor (or structure factor for short) is a mathematical description of how a material scatters incident radiation. The structure factor is a critical tool in the interpretation of scattering patterns ( interference patterns ) obtained in X-ray , electron and neutron ...
After crystallographic image processing, [21] structure factor phase angles are far more reliable than structure factor amplitudes. Further discernment of candidate structures is then mainly based on structure factor phase angles and, to a lesser extent, structure factor amplitudes (so-called 'structure factor fingerprinting'). [22] [23]
In condensed matter physics, the dynamic structure factor (or dynamical structure factor) is a mathematical function that contains information about inter-particle correlations and their time evolution. It is a generalization of the structure factor that considers correlations in both space and time.
The pair correlation function is related via Fourier transform to the static structure factor, which can be determined experimentally using X-ray diffraction or neutron diffraction. The OZ equation relates the pair correlation function to the direct correlation function. The direct correlation function is only used in connection with the OZ ...
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In the Cambridge Structural Database of small-molecule structures, more than 95% of the 500,000+ crystals have an R-factor lower than 0.15, and 9.5% have an R-factor lower than 0.03. Crystallographers also use the Free R-Factor ( R F r e e {\displaystyle R_{Free}} ) [ 3 ] to assess possible overmodeling of the data.
The term hyperuniformity (also independently called super-homogeneity in the context of cosmology [22]) was coined and studied by Salvatore Torquato and Frank Stillinger in a 2003 paper, [1] in which they showed that, among other things, hyperuniformity provides a unified framework to classify and structurally characterize crystals, quasicrystals, and exotic disordered varieties.
Atomic form factor patterns are often represented as a function of the magnitude of the scattering vector = (). Herein k = 2 π / λ {\displaystyle k=2\pi /\lambda } is the wavenumber and 2 θ {\displaystyle 2\theta } is the scattering angle between the incident x-ray beam and the detector measuring the scattered intensity, while λ ...