X-ray diffraction CT reconstruction of Martian meteorite Black Beauty

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This dataset is part of this Collection: Naver, Estrid Buhl; Wulff Nikolajsen, Katrine; Carøe, Martin Sæbye; Battaglia, Domenico; Frydenvang, Jens; Bizzarro, Martin; et al. (2026). Data for article "Direct detection of hydrogen reveals a new macroscopic crustal water reservoir on early Mars". Technical University of Denmark. Collection. https://doi.org/10.11583/DTU.c.8298772 Depositor (include contact and ORCID): Estrid Buhl Naver (https://orcid.org/0000-0002-8897-2175) Contributors/Authors: Estrid Buhl Naver, Katrine Wulff Nikolajsen, Martin Sæbye Carøe, Domenico Battaglia, Jens Frydenvang, Martin Bizzarro, Jakob Sauer Jørgensen, Kim Lefmann, Anders Kaestner, David Christian Mannes, Phil Cook, Henrik Birkedal, Thorbjørn Erik Køppen Christensen, Innokenty Kantor, Henning Friis Poulsen, and Luise Theil Kuhn. Related publication: Direct detection of hydrogen reveals a new macroscopic crustal water reservoir on early Mars. Explanation: X-ray diffraction computed tomography (XRD-CT) was performed of a piece of Martian meteorite NWA 7034 / Black Beauty at the DanMAX beamline at MAX IV in Sweden using a 35 keV beam with a size of 28x28 micrometer^2 scanning across the sample in 25 micrometer steps, then rotating the sample 1 degree, scanning again and so on. The scan was performed over 180 degrees. Measurements were recorded at a frequency of 200 Hz using a Pilatus CdTe 2M detector to record the scattering in 2D. Distance between sample and detector was 600 mm.This produces a dataset similar to that of an attenuation tomography, but instead of attenuation projections there are diffraction projections where each pixel contains a diffraction pattern for that location and sample rotation. These are then reconstructed like an attenuation tomography where each diffraction bin is treated like an attenuation bin. The reconstructed data set is a 3D volume with a diffraction pattern in each pixel. This dataset contains: 72 files, each of which contains one reconstructed slice in the volume. One slice is a 3D data set, containing a diffraction pattern for each pixel in the slice. The diffraction is recorded as function of diffraction angle 2 theta. The first bin in the diffraction pattern contains the measured attenuation signal for that pixel. Methods, materials and software: The 2D diffraction patterns were integrated using the MatFRAIA algorithm and reconstructed using the gridrec algorithm implemented at DanMAX. Funding: ESS Lighthouse on Hard Materials in 3D, SOLID, funded by the Danish Agency for Science and Higher Education (8144-00002B). DanScatt funded by the Danish Agency for Science, Technology, and Innovation.Danish Data Science Academy, funded by the Novo Nordisk Foundation (NNF21SA0069429) and the Villum foundation (40516).Made use of computational support by CoSeC, the Computational Science Centre for Research Communities, through CCPi (EPSRC grant EP/T026677/1). How to cite this data: Naver, Estrid Buhl; Wulff Nikolajsen, Katrine; Carøe, Martin Sæbye; Battaglia, Domenico; Frydenvang, Jens; Bizzarro, Martin; et al. (2026). X-ray diffraction CT reconstruction of Martian meteorite Black Beauty. Technical University of Denmark. Dataset. https://doi.org/10.11583/DTU.31306372 This dataset is published under the CC BY 4.0 license.This license allows reusers to distribute, remix, adapt, and build upon the material in any medium or format, so long as attribution is given to the creator.

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