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MDPI, Crystals, 8(11), p. 897, 2021

DOI: 10.3390/cryst11080897

Proceedings of The 2nd International Online Conference on Crystals, 2020

DOI: 10.3390/iocc_2020-07328

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Int3D: a data reduction software for single crystal neutron diffraction

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Data provided by SHERPA/RoMEO

Abstract

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.