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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. X-ray diffraction - Wikipedia

    en.wikipedia.org/wiki/X-ray_diffraction

    Free-electron lasers have been developed for use in X-ray diffraction and crystallography. [27] These are the brightest X-ray sources currently available; with the X-rays coming in femtosecond bursts. The intensity of the source is such that atomic resolution diffraction patterns can be resolved for crystals otherwise too small for collection.

  4. X-ray scattering techniques - Wikipedia

    en.wikipedia.org/wiki/X-ray_scattering_techniques

    X-ray reflectivity is an analytical technique for determining thickness, roughness, and density of single layer and multilayer thin films. Wide-angle X-ray scattering (WAXS), a technique concentrating on scattering angles 2θ larger than 5°. Spectrum of various inelastic scattering processes that can be probed with inelastic X-ray scattering ...

  5. Protein crystallization - Wikipedia

    en.wikipedia.org/wiki/Protein_crystallization

    Prior to Bernal and Hodgkin, protein crystallography had only been performed in dry conditions with inconsistent and unreliable results. This is the first X‐ray diffraction pattern of a protein crystal. [8] In 1958, the structure of myoglobin (a red protein containing heme), determined by X-ray crystallography, was first reported by John ...

  6. R-factor (crystallography) - Wikipedia

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

    In crystallography, the R-factor (sometimes called residual factor or reliability factor or the R-value or R Work) is a measure of the disagreement between the crystallographic model and the experimental X-ray diffraction data - lower the R value lower is the disagreement or better is the agreement.

  7. Crystallography - Wikipedia

    en.wikipedia.org/wiki/Crystallography

    The first X-ray diffraction experiment was conducted in 1912 by Max von Laue, [7] while electron diffraction was first realized in 1927 in the Davisson–Germer experiment [8] and parallel work by George Paget Thomson and Alexander Reid. [9] These developed into the two main branches of crystallography, X-ray crystallography and electron ...

  8. International Centre for Diffraction Data - Wikipedia

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

    It is a sponsor of the Denver X-ray Conference and the Pharmaceutical Powder X-ray Diffraction Symposium. It also publishes the journals Advances in X-ray Analysis and Powder Diffraction. In 2019, Materials Data, also known as MDI, merged with ICDD.

  9. Isomorphous replacement - Wikipedia

    en.wikipedia.org/wiki/Isomorphous_replacement

    Isomorphous replacement (IR) is historically the most common approach to solving the phase problem in X-ray crystallography studies of proteins.For protein crystals this method is conducted by soaking the crystal of a sample to be analyzed with a heavy atom solution or co-crystallization with the heavy atom.

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