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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 ...
Dr. Miller had done research on X-ray instrumentation at Washington University in St. Louis. Dr. Duffendack also hired Dr. Bill Parish, a well known researcher in X-ray diffraction, to head up the section of the lab on X-ray instrumental development. X-ray diffraction units were widely used in academic research departments to do crystal analysis.
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.
XAS data is obtained by tuning the photon energy, [3] using a crystalline monochromator, to a range where core electrons can be excited (0.1-100 keV). The edges are, in part, named by which core electron is excited: the principal quantum numbers n = 1, 2, and 3, correspond to the K-, L-, and M-edges, respectively. [ 4 ]
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.
In order to analyze the nuclear magnetic resonance data, it is important to get a resonance assignment for the protein, that is to find out which chemical shift corresponds to which atom. This is typically achieved by sequential walking using information derived from several different types of NMR experiment.
The first printed edition of the Karlsruhe Nuclide Chart of 1958 in the form of a wall chart was created by Walter Seelmann-Eggebert and his assistant Gerda Pfennig. Walter Seelmann-Eggebert was director of the Radiochemistry Institute in the 1956 founded "Kernreaktor Bau- und Betriebsgesellschaft mbH" in Karlsruhe, Germany (a predecessor institution of the later "(Kern-)Forschungszentrum ...
Nuclear data represents measured (or evaluated) probabilities of various physical interactions involving the nuclei of atoms. It is used to understand the nature of such interactions by providing the fundamental input to many models and simulations, such as fission and fusion reactor calculations, shielding and radiation protection calculations, criticality safety, nuclear weapons, nuclear ...