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MM XRD: Free open-source: Java 3D applet or standalone program: Ovito: MM XRD EM MD: Free open-source: Python [13] [14] PyMOL: MM XRD SMI EM: Open-source [15] Python [16] [self-published source?] According to the author, almost 1/4 of all published images of 3D protein structures in the scientific literature were made via PyMOL. [citation ...
Three-dimensional X-ray diffraction (3DXRD) is a microscopy technique using hard X-rays (with energy in the 30-100 keV range) to investigate the internal structure of polycrystalline materials in three dimensions.
A powder X-ray diffractometer in motion. X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract in specific directions.
These and other imperfections may also result in peak shift, peak asymmetry, anisotropic peak broadening, or other peak shape effects. [ 3 ] If all of these other contributions to the peak width, including instrumental broadening, were zero, then the peak width would be determined solely by the crystallite size and the Scherrer equation would ...
When Wilhelm Röntgen discovered X-rays in 1895 [1] physicists were uncertain of the nature of X-rays, but suspected that they were waves of electromagnetic radiation.The Maxwell theory of electromagnetic radiation was well accepted, and experiments by Charles Glover Barkla showed that X-rays exhibited phenomena associated with electromagnetic waves, including transverse polarization and ...
Waterfall plots are often used to show how two-dimensional phenomena change over time. [1] A three-dimensional spectral waterfall plot is a plot in which multiple curves of data, typically spectra, are displayed simultaneously. Typically the curves are staggered both across the screen and vertically, with "nearer" curves masking the ones behind.
This similarity is not accidental; indeed, substituting in the relations above for the thermodynamic parameters (Equations 7, 9 and 10) yields the corresponding virial expansions. [7] The auxiliary function y ( r ) {\displaystyle y(r)} is known as the cavity distribution function . [ 5 ] :
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 materials.