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  2. R-factor (crystallography) - Wikipedia

    en.wikipedia.org/wiki/R-factor_(crystallography)

    Model inadequacies such as incorrect or missing parts and unmodeled disorder are the other main contributors to , making it useful to assess the progress and final result of a crystallographic model refinement. For large molecules, the R-factor usually ranges between 0.6 (when computed for a random model and against an experimental data set ...

  3. Scherrer equation - Wikipedia

    en.wikipedia.org/wiki/Scherrer_Equation

    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.

  4. X-ray crystal truncation rod - Wikipedia

    en.wikipedia.org/wiki/X-ray_crystal_truncation_rod

    X-ray crystal truncation rod scattering is a powerful method in surface science, based on analysis of surface X-ray diffraction (SXRD) patterns from a crystalline surface. For an infinite crystal, the diffracted pattern is concentrated in Dirac delta function like Bragg peaks.

  5. Ewald's sphere - Wikipedia

    en.wikipedia.org/wiki/Ewald's_sphere

    The Ewald sphere is a geometric construction used in electron, neutron, and x-ray diffraction which shows the relationship between: the wavevector of the incident and diffracted beams, the diffraction angle for a given reflection, the reciprocal lattice of the crystal. It was conceived by Paul Peter Ewald, a German physicist and ...

  6. Patterson function - Wikipedia

    en.wikipedia.org/wiki/Patterson_function

    Furthermore, a Patterson map of N points will have N(N − 1) peaks, excluding the central (origin) peak and any overlap. The peaks' positions in the Patterson function are the interatomic distance vectors and the peak heights are proportional to the product of the number of electrons in the atoms concerned.

  7. Rietveld refinement - Wikipedia

    en.wikipedia.org/wiki/Rietveld_refinement

    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.

  8. Pole figure - Wikipedia

    en.wikipedia.org/wiki/Pole_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 law. It gives the orientation of the ...

  9. Wide-angle X-ray scattering - Wikipedia

    en.wikipedia.org/wiki/Wide-angle_X-ray_scattering

    It is an X-ray-diffraction [2] method and commonly used to determine a range of information about crystalline materials. The term WAXS is commonly used in polymer sciences to differentiate it from SAXS but many scientists doing "WAXS" would describe the measurements as Bragg/X-ray/powder diffraction or crystallography .

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