cationCalc4EPMA: A MATLAB-based open-source tool for reproducible cation calculations from EPMA datasets

Electron probe microanalysis (EPMA) provides precise chemical compositions of minerals, but transforming oxide weight percentages into cation-based formulas remains a critical and often irreproducible step in petrological workflows. We present cationCalc4EPMA, an open-source MATLAB tool that converts EPMA datasets into cation-normalized structural formulas with automatic mineral identification. The software supports major rock-forming minerals, implements established stoichiometric and charge-balance schemes for Fe³⁺ estimation, and computes commonly used petrological indices such as Mg#. By replacing spreadsheet-based or proprietary workflows, cationCalc4EPMA enhances transparency, reproducibility, and efficiency in geochemical and petrological studies using EPMA data.

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Publication Details

Journal
SoftwareX
Published
2026-02-13
DOI
https://doi.org/10.1016/j.softx.2026.102555
Primary Topic
Mineral Processing and Grinding
Type
article
Field-Weighted Citation Impact
0.00
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article

cationCalc4EPMA: A MATLAB-based open-source tool for reproducible cation calculations from EPMA datasets

Kazuki Matsuyama, Yoshihiro Nakamura
SoftwareX
Mineral Processing and Grinding
article

cationCalc4EPMA: A MATLAB-based open-source tool for reproducible cation calculations from EPMA datasets

Kazuki Matsuyama, Yoshihiro Nakamura
article en

Abstract

Electron probe microanalysis (EPMA) provides precise chemical compositions of minerals, but transforming oxide weight percentages into cation-based formulas remains a critical and often irreproducible step in petrological workflows. We present cationCalc4EPMA, an open-source MATLAB tool that converts EPMA datasets into cation-normalized structural formulas with automatic mineral identification. The software supports major rock-forming minerals, implements established stoichiometric and charge-balance schemes for Fe³⁺ estimation, and computes commonly used petrological indices such as Mg#. By replacing spreadsheet-based or proprietary workflows, cationCalc4EPMA enhances transparency, reproducibility, and efficiency in geochemical and petrological studies using EPMA data.

SoftwareXVol. 34
Centre National de la Recherche Scientifique (FR), Université de Montpellier (FR), Géosciences Montpellier (FR), Geological Survey of Japan (JP), Nagoya University (JP)
Openalex Percentile: Top 57%
Mineral Processing and Grinding
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cationCalc4EPMA: A MATLAB-based open-source tool for reproducible cation calculations from EPMA datasets — Kazuki Matsuyama, Yoshihiro Nakamura · SoftwareX (2026) | TGRS Research Map | TGRS