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Reproducible Spectrum and Hyperspectrum Data Analysis Using NeXL

Published online by Cambridge University Press:  02 March 2022

Nicholas W. M. Ritchie Open the ORCID record for Nicholas W. M. Ritchie [Opens in a new window]
Nicholas W. M. Ritchie*
Affiliation:
Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, MD20899-8371, USA
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Abstract

NeXL is a collection of Julia language packages (libraries) for X-ray microanalysis data processing. NeXLCore provides basic atomic and X-ray physics data and models including support for microanalysis-related data types for materials and k-ratios. NeXLMatrixCorrection provides algorithms for matrix correction and iteration. NeXLSpectrum provides utilities and tools for energy-dispersive X-ray spectrum and hyperspectrum analysis including display, manipulation, and fitting. NeXL is integrated with the Julia language infrastructure. NeXL builds on the Gadfly plotting library and the DataFrames tabular data library. When combined with the DrWatson package, NeXL can provide a highly reproducible environment in which to process microanalysis data. Data availability and reproducible data analysis are two keys to scientific reproducibility. Not only should readers of journal articles have access to the data, they should also be able to reproduce the analysis steps that take the data to final results. This paper will both discuss the NeXL framework and provide examples of how it can used for reproducible data analysis.

Keywords

EDShyperspectrumquantificationreproduciblesoftware
Type
Software and Instrumentation
Information
Microscopy and Microanalysis , Volume 28 , Issue 2 , April 2022 , pp. 478 - 495
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Copyright
Copyright © The Author(s), 2022. Published by Cambridge University Press on behalf of the Microscopy Society of America

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