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A powder X-ray diffractometer in motion. X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract in specific directions.
The contact goniometer was the first instrument used to measure the interfacial angles of crystals. The International Union of Crystallography (IUCr) gives the following definition: "The law of the constancy of interfacial angles (or 'first law of crystallography') states that the angles between the crystal faces of a given species are constant, whatever the lateral extension of these faces ...
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. Wide-angle X-ray scattering is similar to small-angle X-ray scattering (SAXS) but the increasing angle between the sample and detector is probing ...
Miller indices are also used to designate reflections in X-ray crystallography. In this case the integers are not necessarily in lowest terms, and can be thought of as corresponding to planes spaced such that the reflections from adjacent planes would have a phase difference of exactly one wavelength (2 π ), regardless of whether there are ...
This means that X-rays are seemingly "reflected" off parallel crystal lattice planes perpendicular at the same angle as their angle of approach to the crystal with respect to the lattice planes; in the elastic light (typically X-ray)-crystal scattering, parallel crystal lattice planes perpendicular to a reciprocal lattice vector for the crystal ...
Molecular replacement (MR) [1] is a method of solving the phase problem in X-ray crystallography.MR relies upon the existence of a previously solved protein structure which is similar to our unknown structure from which the diffraction data is derived.
There are several ways to determine the absolute structure by X-ray crystallography. For example, a comparison of the intensities of Bijvoet pairs or of the R-factors for the two possible structures can suggest the correct absolute structure. One of the more powerful and simple approaches is using the Flack parameter, because this single ...
Crystallography is a broad topic, and many of its subareas, such as X-ray crystallography, are themselves important scientific topics. Crystallography ranges from the fundamentals of crystal structure to the mathematics of crystal geometry, including those that are not periodic or quasicrystals.