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Updated: Feb 2, 2026

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Structural studies of carbons by neutron and x-ray scattering
Andrzej Burian1,2, John C Dore3, Karolina Jurkiewicz1,2
1A. Chełkowski Institute of Physics, University of Silesia, ul.75 Pułku Piechoty 1, 41-500 Chorzów, Poland.
Abstract:
Carbon can have many different forms and the characterisation of structural features on a length scale of 1 Å to 10 μm is important in defining its physical and chemical properties for the various forms. The use of either electro-magnetic (x-ray) or particle (neutron) beams plays an important role in determining these characteristics. In this paper, we review the various techniques that are used to determine the structural features by experimental means and how the data are processed to give the required information in a suitable form for detailed analysis by computer simulation. Diffraction methods are used for studies of the atomic arrangement and small-angle scattering techniques are used for studies of microporosity in the sample materials. The experimental data obtained from a wide range of different carbon materials are considered and how these results can be used as a basis for modelling the structures in a quantitative manner is also considered. This information underpins their use as active components in a wide range of functional materials.
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