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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 ...
[4] Compared with destructive techniques, e.g. three-dimensional electron backscatter diffraction (3D EBSD), [5] with which the sample is serially sectioned and imaged, 3DXRD and similar X-ray nondestructive techniques have the following advantages: They require less sample preparation, thus limiting the introduction of new structures in the ...
This is useful if the sample is too thick for X-rays to transmit through it. The diffracting planes in the crystal are determined by knowing that the normal to the diffracting plane bisects the angle between the incident beam and the diffracted beam. A Greninger chart can be used [30] to interpret the back reflection Laue photograph.
Barkla created the x-ray notation for sharp spectral lines, noting in 1909 two separate energies, at first naming them "A" and "B" and then supposing that there may be lines prior to "A", he started an alphabet numbering beginning with "K." [9] [10] Single-slit experiments in the laboratory of Arnold Sommerfeld suggested that X-rays had a ...
X-ray diffraction, sometimes called Wide-angle X-ray diffraction (WAXD); Small-angle X-ray scattering (SAXS) probes structure in the nanometer to micrometer range by measuring scattering intensity at scattering angles 2θ close to 0°.
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 ...
Typically the curves are staggered both across the screen and vertically, with "nearer" curves masking the ones behind. The result is a series of "mountain" shapes that appear to be side by side. The waterfall plot is often used to show how two-dimensional information changes over time or some other variable such as rotational speed.
In 1998, [10] it was found that genetic algorithms are robust and fast fitting methods for X-ray reflectivity. Thus, genetic algorithms have been adopted by the software of practically all X-ray diffractometer manufacturers and also by open source fitting software.