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The Scherrer equation, in X-ray diffraction and crystallography, is a formula that relates the size of sub-micrometre crystallites in a solid to the broadening of a peak in a diffraction pattern. It is often referred to, incorrectly, as a formula for particle size measurement or analysis.
In X-ray crystallography, wide-angle X-ray scattering (WAXS) or wide-angle X-ray diffraction (WAXD) is the analysis of Bragg peaks scattered to wide angles, which (by Bragg's law) are caused by sub-nanometer-sized structures. [1] It is an X-ray-diffraction [2] method and commonly used to determine a range of information about crystalline ...
The resulting map of the directions of the X-rays far from the sample is called a diffraction pattern. It is different from X-ray crystallography which exploits X-ray diffraction to determine the arrangement of atoms in materials, and also has other components such as ways to map from experimental diffraction measurements to the positions of atoms.
XAS is an interdisciplinary technique and its unique properties, as compared to x-ray diffraction, have been exploited for understanding the details of local structure in: glass, amorphous and liquid systems; solid solutions; doping and ionic implantation of materials for electronics; local distortions of crystal lattices; organometallic compounds
Rietveld refinement is a technique described by Hugo Rietveld for use in the characterisation of crystalline materials. The neutron and X-ray diffraction of powder samples results in a pattern characterised by reflections (peaks in intensity) at certain positions. The height, width and position of these reflections can be used to determine many ...
An X-ray diffraction pattern of a crystallized enzyme. The pattern of spots (reflections) and the relative strength of each spot (intensities) can be used to determine the structure of the enzyme. The relative intensities of the reflections provides information to determine the arrangement of molecules within the crystal in atomic detail.
The minimum possible value is zero, indicating perfect agreement between experimental observations and the structure factors predicted from the model. There is no theoretical maximum, but in practice, values are considerably less than one even for poor models, provided the model includes a suitable scale factor.
By determining x for all data, x is usually found to be between 0 and 1. If the value is near 0, with a small standard uncertainty, the absolute structure given by the structure refinement is likely correct, and if the value is near 1, then the inverted structure is likely correct. If the value is near 0.5, the crystal may be racemic or twinned ...