Neural Networksfor Quantifying Laboratory ConfocalMicro X‑ray Fluorescence Measurements

The quantification of confocal micro X-ray fluorescence spectroscopy (CMXRF) data obtained with polychromatic excitation in a laboratory setup is challenging. Complex dependencies, an elaborate setup calibration and nontrivial data evaluation makes it a time-consuming and intricate task. In this work we introduce the first application of a neural network for the quantification of homogeneous bulk samples, which significantly simplifies the evaluation and effectively eliminates the need for human input. The training of the neural network is performed on simulated data. For this, a simulation routine for CMXRF data of homogeneous bulk samples is introduced. The neural network is trained to simultaneously quantify the elemental concentrations of 53 elements, the density of the sample and the surface position directly from depth profiling measurements. As a result, the CMXRF evaluation is substantially simplified and the potential of the used neural network for feature extraction and prediction is demonstrated.

Publication Details

Journal
Figshare
Published
2025-03-27
DOI
https://doi.org/10.1021/acs.analchem.4c06545.s001
Primary Topic
Libraries and Information Services
Type
article
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Neural Networksfor Quantifying Laboratory ConfocalMicro X‑ray Fluorescence Measurements

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Libraries and Information Services
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Neural Networksfor Quantifying Laboratory ConfocalMicro X‑ray Fluorescence Measurements

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Abstract

The quantification of confocal micro X-ray fluorescence spectroscopy (CMXRF) data obtained with polychromatic excitation in a laboratory setup is challenging. Complex dependencies, an elaborate setup calibration and nontrivial data evaluation makes it a time-consuming and intricate task. In this work we introduce the first application of a neural network for the quantification of homogeneous bulk samples, which significantly simplifies the evaluation and effectively eliminates the need for human input. The training of the neural network is performed on simulated data. For this, a simulation routine for CMXRF data of homogeneous bulk samples is introduced. The neural network is trained to simultaneously quantify the elemental concentrations of 53 elements, the density of the sample and the surface position directly from depth profiling measurements. As a result, the CMXRF evaluation is substantially simplified and the potential of the used neural network for feature extraction and prediction is demonstrated.

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Neural Networksfor Quantifying Laboratory ConfocalMicro X‑ray Fluorescence Measurements · Figshare (2025) | TGRS Research Map | TGRS