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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 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 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.
X-ray reflectivity (sometimes known as X-ray specular reflectivity, X-ray reflectometry, or XRR) is a surface-sensitive analytical technique used in chemistry, physics, and materials science to characterize surfaces, thin films and multilayers.
Usually X-ray diffraction in spectrometers is achieved on crystals, but in Grating spectrometers, the X-rays emerging from a sample must pass a source-defining slit, then optical elements (mirrors and/or gratings) disperse them by diffraction according to their wavelength and, finally, a detector is placed at their focal points.
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.
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.
Crucial for 3DXRD is the idea to mimic a three-dimensional detector by positioning a number of two-dimensional detectors at different distances from the centre of rotation of the sample, and exposing these either simultaneously (many detectors are semi-transparent to hard X-rays) or at different times.
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