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In X-ray crystallography, a difference density map or Fo–Fc map shows the spatial distribution of the difference between the measured electron density of the crystal and the electron density explained by the current model. [1] A way to compute this map has been formulated for cryo-EM. [2]
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X-ray crystallography is still the primary method for characterizing the atomic structure of materials and in differentiating materials that appear similar in other experiments. X-ray crystal structures can also help explain unusual electronic or elastic properties of a material, shed light on chemical interactions and processes, or serve as ...
The resulting map of the directions of the X-rays far from the sample is called a diffraction pattern. It is different from X-ray crystallography which exploits X-ray diffraction to determine the arrangement of atoms in materials, and also has other components such as ways to map from experimental diffraction measurements to the positions of atoms.
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 ...
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Reflection positions and intensities of known crystal phases, mostly from X-ray diffraction data, are stored, as d-I data pairs, in the Powder Diffraction File database. The list of d-I data pairs is highly characteristic of a crystal phase and, thus, suitable for the identification, also called ‘fingerprinting’, of crystal phases.
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