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Accès ouvert déclaré 2026 dataset

X-ray diffraction patterns for H-rich clasts in Black Beauty meteorite

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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: Diffraction patterns from X-ray diffraction computed tomography (XRD-CT) of Martian meteorite NWA7034 or Black Beauty and Rietveld refinement of these. The diffraction patterns are from areas with high neutron attenuation and areas of low neutron and high X-ray attenuation corresponding to, respectively, H-rich and H-poor areas. This dataset contains three folders: "diffraction patterns" which contains the diffraction patterns for the three analysed clasts and the matrix. Diffraction from the H-rich areas in files labelled "_highN" and the H-poor areas in files labelled "_highX"."linear backgrounds" which contains the manually defined flat backgrounds for all of the diffraction patterns. Same naming convention as the diffraction pattern files. "maud analysis" contains the Rietveld analysis performed in the "Maud" program in files named "Refinement " and the data used to plot the two supplementary figures in files labelled "maud_clast1" and "maud_clast3". Methods, materials and software: Segmentation of X-ray diffraction patterns from the XRD-CT was performed in Python file "XRD-CT_analysis.ipynb" (https://github.com/msaca-okse/Multimodal_CT_Black_Beauty). Rietveld refinement performed in Maud (Lutterotti, L. (2000). Maud: a Rietveld analysis program designed for the internet and experiment integration. Acta Crystallographica Section A Foundations of Crystallography, 56. doi: 10.1107/S1600576723005472).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 patterns for H-rich clasts in Black Beauty meteorite. Technical University of Denmark. Dataset. https://doi.org/10.11583/DTU.31305316 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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