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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. It is named after Paul Scherrer.
The use of computational methods for the powder X-ray diffraction data analysis is now generalized. It typically compares the experimental data to the simulated diffractogram of a model structure, taking into account the instrumental parameters, and refines the structural or microstructural parameters of the model using least squares based ...
Free-electron lasers have been developed for use in X-ray diffraction and crystallography. [27] These are the brightest X-ray sources currently available; with the X-rays coming in femtosecond bursts. The intensity of the source is such that atomic resolution diffraction patterns can be resolved for crystals otherwise too small for collection.
Coot can also display electron density, which is the result of structure determination experiments such as X-ray crystallography and EM reconstruction. The density is contoured using a 3D-mesh. The contour level controlled using the mouse wheel for easy manipulation - this provides a simple way for the user to get an idea of the 3D electron ...
Pole figure and diffraction figure. Consider the diffraction pattern obtained with a single crystal, on a plane that is perpendicular to the beam, e.g. X-ray diffraction with the Laue method, or electron diffraction in a transmission electron microscope. The diffraction figure shows spots. The position of the spots is determined by the Bragg's ...
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 ...
Difference density maps are usually calculated using Fourier coefficients which are the differences between the observed structure factor amplitudes from the X-ray diffraction experiment and the calculated structure factor amplitudes from the current model, using the phase from the model for both terms (since no phases are available for the ...
The method was first implemented in 1967, [1] and reported in 1969 [2] for the diffraction of monochromatic neutrons where the reflection-position is reported in terms of the Bragg angle, 2θ. This terminology will be used here although the technique is equally applicable to alternative scales such as x-ray energy or neutron time-of-flight.
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