A MATLAB Toolbox for Findable, Accessible, Interoperable, and Reusable Atom Probe Data Science (2024)

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,

Martina Heller

Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)

, Erlangen 91058,

Germany

Interdisciplinary Center for Nanostructured Films (IZNF)

, Erlangen 91058,

Germany

Corresponding author: Martina Heller, E-mail: martina.heller@fau.de

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,

Benedict Ott

Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)

, Erlangen 91058,

Germany

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,

Valentin Dalbauer

Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)

, Erlangen 91058,

Germany

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Peter Felfer

Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)

, Erlangen 91058,

Germany

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Microscopy and Microanalysis, ozae031, https://doi.org/10.1093/mam/ozae031

Published:

17 June 2024

Article history

Received:

16 August 2023

Revision received:

07 March 2024

Accepted:

22 March 2024

Published:

17 June 2024

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    Martina Heller, Benedict Ott, Valentin Dalbauer, Peter Felfer, A MATLAB Toolbox for Findable, Accessible, Interoperable, and Reusable Atom Probe Data Science, Microscopy and Microanalysis, 2024;, ozae031, https://doi.org/10.1093/mam/ozae031

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Abstract

Atom probe tomography (APT) data analytics have traditionally been based on manual analytics by researchers. As newer atom probes together with focused ion beam–based specimen preparation have opened APT to many more materials, yielding much more complex mass spectra, building up a systematic understanding of the pathway from raw data to final interpretation has increasingly become important. This demands a system in which the data and treatment can be traced, ideally by any interested party. Such an approach of findable, accessible, interoperable, and reusable (FAIR) data and analysis policies is becoming increasingly important, not just in APT. In this paper, we present a toolbox, written in MATLAB, which allows the user to store the raw and processed data in a standardized FAIR format (hierarchical data format 5) and process the data in a largely scriptable environment to minimize manual user input. This allows for the experiment data to be interchanged without owner explanations and the analysis to be reproduced. We have devised a metadata scheme that is extensible to other experiments in the materials science domain. With this toolbox, collective knowledge can be built up, and a large number of data sets can be analyzed in a fully automated fashion.

atom probe data base, FAIR atom probe data science, HDF5, storage of APT data

© The Author(s) 2024. Published by Oxford University Press on behalf of the Microscopy Society of America. All rights reserved. For commercial re-use, please contact reprints@oup.com for reprints and translation rights for reprints. All other permissions can be obtained through our RightsLink service via the Permissions link on the article page on our site—for further information please contact journals.permissions@oup.com.

This article is published and distributed under the terms of the Oxford University Press, Standard Journals Publication Model (https://academic.oup.com/pages/standard-publication-reuse-rights)

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