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Article

Int3D: A Data Reduction Software for Single Crystal Neutron Diffraction

Diffraction Group, Institut Laue-Langevin, 71 Avenue des Martyrs, CEDEX 9, F-38054 Grenoble, France
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Author to whom correspondence should be addressed.
Academic Editor: Angela Altomare
Received: 5 July 2021 / Revised: 26 July 2021 / Accepted: 26 July 2021 / Published: 31 July 2021
We describe a new software package for the data reduction of single crystal neutron diffraction using large 2D detectors. The software consists of a graphical user interface from which the user can visualize, interact with and process the data. The data reduction is achieved by sequentially executing a series of programs designed for performing the following tasks: peak detection, indexing, refinement of the orientation matrix and motor offsets, and integration. The graphical tools of the software allow visualization of and interaction with the data in two and three dimensions, both in direct and reciprocal spaces. They make it easy to validate the different steps of the data reduction and will be of great help in the treatment of complex problems involving incommensurate structures, twins or diffuse scattering. View Full-Text
Keywords: single crystal diffraction; neutrons; data reduction; software single crystal diffraction; neutrons; data reduction; software
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MDPI and ACS Style

Katcho, N.A.; Cañadillas-Delgado, L.; Fabelo, O.; Fernández-Díaz, M.T.; Rodríguez-Carvajal, J. Int3D: A Data Reduction Software for Single Crystal Neutron Diffraction. Crystals 2021, 11, 897. https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080897

AMA Style

Katcho NA, Cañadillas-Delgado L, Fabelo O, Fernández-Díaz MT, Rodríguez-Carvajal J. Int3D: A Data Reduction Software for Single Crystal Neutron Diffraction. Crystals. 2021; 11(8):897. https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080897

Chicago/Turabian Style

Katcho, Nebil A., Laura Cañadillas-Delgado, Oscar Fabelo, María T. Fernández-Díaz, and Juan Rodríguez-Carvajal. 2021. "Int3D: A Data Reduction Software for Single Crystal Neutron Diffraction" Crystals 11, no. 8: 897. https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080897

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