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Article Dans Une Revue Journal of Applied Crystallography Année : 2017

DxTools: Processing large data files recorded with the Bruker D8 diffractometer

Résumé

Data processing is the daily reality for crystallographers who often seek to automate this repetitive task. With modern commercial diffractometers allowing for more elaborate experiments to be performed, the use of commercial software is almost unavoidable to process the data which is often provided in a manufacturer-specific format. This is especially the case when the intensity is recorded as a function of more than one single scanning motor, and/or when recording data with a one-dimensional detector. A simple, free and open-source alternative is here presented to process that type of diffraction data recorded with the Bruker D8 diffractometer. It allows handling of data files (in uxd and brml format) corresponding to reciprocal space maps [in the (Q x , Q z) and (Q x , Q y) planes], temperature-dependent scans, spatial scans, sin²ψ measurements and pole figures. The program is easy to use and can be extended to any file format. It can be downloaded from https://aboulle.github.io/DxTools/

Domaines

Matériaux
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Dates et versions

hal-02193112 , version 1 (24-07-2019)

Identifiants

Citer

Alexandre Boulle. DxTools: Processing large data files recorded with the Bruker D8 diffractometer. Journal of Applied Crystallography, 2017, 50 (3), pp.967-974. ⟨10.1107/S1600576717005192⟩. ⟨hal-02193112⟩
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