DiadFit: An Open-Source Python3 Tool for Peak fitting of Raman Data from silicate melts and CO2 fluids

This is a Preprint and has not been peer reviewed. This is version 2 of this Preprint.


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Penny E Wieser , Charlotte L DeVitre


We present DiadFit - an open-source Python3 tool for efficient processing of Raman spectroscopy data collected from silicate melts and CO2 fluids. DiadFit can fit Fermi diads, hot bands, 13C peaks, peaks from other gas species (e.g. SO2. N2), and Ne lines using various background and peak shapes. Thus, it is highly suited for workflows involving melt inclusion vapour bubbles and fluid inclusions (FI). It can also convert between temperature, pressure and density using the CO2 equation of state (EOS), allowing calculation of FI entrapment pressures (and depths in the crust), conversion of T_homog from microthermometry measurements to CO2 density, and propagation of uncertainties associated with EOS calculations using Monte Carlo methods. There are also functions to quantify the area ratio of the silicate vs. H2O region of spectra collected on silicate glasses to determine H2O contents. Documentation and worked examples are available (https://bit.ly/DiadFitRTD, https://bit.ly/DiadFitYouTube).




Earth Sciences, Geology, Mineral Physics, Physical Sciences and Mathematics, Volcanology


Raman Spectroscopy, CO2, Fermi Diad, Open-source, Python3, Fluid inclusions, melt inclusions, volcanology, Magma Storage Pressures


Published: 2023-04-04 02:10

Last Updated: 2023-09-20 02:39

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CC BY Attribution 4.0 International

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