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X-ray diffraction is a generic term for phenomena associated with changes in the direction of X-ray beams due to interactions with the electrons around atoms. It occurs due to elastic scattering, when there is no change in the energy of the waves. The resulting map of the directions of the X-rays far from the sample is called a diffraction pattern.
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 structure is simply reduced by a and disorder dependent term because all disorder of the first-kind does is smear out the scattering planes, effectively reducing the form factor. In three dimensions the effect is the same, the structure is again reduced by a multiplicative factor, and this factor is often called the Debye–Waller factor .
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. It is named after Paul Scherrer.
X-ray diffraction computed tomography is an experimental technique that combines X-ray diffraction with the computed tomography data acquisition approach. X-ray diffraction (XRD) computed tomography (CT) was first introduced in 1987 by Harding et al. [ 1 ] using a laboratory diffractometer and a monochromatic X-ray pencil beam .
A number of initial phases are tested and selected by this method. The other is the Patterson method, which directly determines the positions of heavy atoms. The Patterson function gives a large value in a position which corresponds to interatomic vectors. This method can be applied only when the crystal contains heavy atoms or when a ...
X-ray diffraction (XRD) is still the most used method for structural analysis of chemical compounds. Yet, with increasing detail on the relation of K β {\displaystyle K_{\beta }} -line spectra and the surrounding chemical environment of the ionized metal atom, measurements of the so-called valence-to-core (V2C) energy region become ...
Nevertheless, powder X-ray diffraction is a powerful and useful technique in its own right. It is mostly used to characterize and identify phases, and to refine details of an already known structure, rather than solving unknown structures. Advantages of the technique are: simplicity of sample preparation; rapidity of measurement