Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data

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Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data

Vamvakeros, A; Jacques, SDM; Di Michiel, M; Middelkoop, V; Egan, CK; Cernik, RJ; Beale, AM; (2015) Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data. Journal of Applied Crystallography , 48 (Pt 6) pp. 1943-1955. 10.1107/S1600576715020701. Green open access

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Abstract

This paper reports a simple but effective filtering approach to deal with single-crystal artefacts in X-ray diffraction computed tomography (XRD-CT). In XRD-CT, large crystallites can produce spots on top of the powder diffraction rings, which, after azimuthal integration and tomographic reconstruction, lead to line/streak artefacts in the tomograms. In the simple approach presented here, the polar transform is taken of collected two-dimensional diffraction patterns followed by directional median/mean filtering prior to integration. Reconstruction of one-dimensional diffraction projection data sets treated in such a way leads to a very significant improvement in reconstructed image quality for systems that exhibit powder spottiness arising from large crystallites. This approach is not computationally heavy which is an important consideration with big data sets such as is the case with XRD-CT. The method should have application to two-dimensional X-ray diffraction data in general where such spottiness arises.

Type:	Article
Title:	Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data
Open access status:	An open access version is available from UCL Discovery
DOI:	10.1107/S1600576715020701
Publisher version:	http://dx.doi.org/10.1107/S1600576715020701
Language:	English
Additional information:	© International Union of Crystallography. Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr.
Keywords:	XRD-CT, diffraction tomography, powder X-ray diffraction, diffraction images
UCL classification:	UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI:	https://discovery.ucl.ac.uk/id/eprint/1474456