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2. X-ray crystallography - Wikipedia

   en.wikipedia.org/wiki/X-ray_crystallography

   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 ...

3. R-factor (crystallography) - Wikipedia

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

   Crystallographers also use the Free R-Factor [3] to assess possible overmodeling of the data. R F r e e {\displaystyle R_{Free}} is computed according to the same formula given above, but on a small, random sample of data that are set aside for the purpose and never included in the refinement.

4. International Centre for Diffraction Data - Wikipedia

   en.wikipedia.org/wiki/International_Centre_for...

   Materials Data creates JADE software used to collect, analyze, and simulate XRD data and solve issues in an array of materials science projects. In 2020, the ICDD and the Cambridge Crystallographic Data Centre, which curates and maintains the Cambridge Structural Database, announced a data partnership.

5. Rietveld refinement - Wikipedia

   en.wikipedia.org/wiki/Rietveld_refinement

   The most common powder X-ray diffraction (XRD) refinement technique used today is based on the method proposed in the 1960s by Hugo Rietveld. [2] The Rietveld method fits a calculated profile (including all structural and instrumental parameters) to experimental data.

6. X-ray diffraction computed tomography - Wikipedia

   en.wikipedia.org/wiki/X-ray_diffraction_computed...

   X-ray diffraction computed tomography is an experimental technique that combines X-ray diffraction with the computed tomography data acquisition approach. X-ray diffraction (XRD) computed tomography (CT) was first introduced in 1987 by Harding et al. [ 1 ] using a laboratory diffractometer and a monochromatic X-ray pencil beam .

7. Clay mineral X-ray diffraction - Wikipedia

   en.wikipedia.org/wiki/Clay_Mineral_X-Ray_Diffraction

   D positions are calculated using Bragg’s law but because clay mineral analysis is one dimensional, l can substitute n, making the equation l λ = 2d sin Θ. When measuring the x-ray diffraction of clays, d is constant and λ is the known wavelength from the x-ray source, so the distance from one 00l peak to another is equal. [3]