DiadFit: An open-source Python3 tool for peak fitting of Raman data from silicate melts and CO2 fluids

Main Article Content

Penny E. Wieser
Charlotte DeVitre


We present DiadFit—an open-source Python3 tool for efficient processing of Raman spectroscopy data collected from fluid inclusions, melt inclusions and silicate melts. DiadFit is optimized to fit the characteristic peaks from CO2 fluids (Fermi diads, hot bands, 13C), gas species such as SO2, N2, solid precipitates (e.g. carbonates), and Ne emission lines with easily tweakable background positions and peak shapes. DiadFit's peak fitting functions are used as part of a number of workflows optimized for quantification of CO2 in melt inclusion vapour bubbles and fluid inclusions. DiadFit can also convert between temperature, pressure and density using various CO2 and CO2-H2O equations of state (EOS), allowing calculation of fluid inclusion pressures (and depths in the crust), conversion of homogenization temperatures from microthermometry 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 in glasses and melt inclusions. Documentation and worked examples are available (https://bit.ly/DiadFitRTD, https://bit.ly/DiadFitYouTube).


Download data is not yet available.

Article Details

How to Cite
Wieser, P. E. and DeVitre, C. (2024) “DiadFit: An open-source Python3 tool for peak fitting of Raman data from silicate melts and CO2 fluids”, Volcanica, 7(1), pp. 335–359. doi: 10.30909/vol.07.01.335359.
Author Biography

Charlotte DeVitre, Earth and Planetary Science, UC Berkeley, CA, USA

Postdoctoral fellow

Citation information
This article has citations in Scopus
Link to article page on Google Scholar
Connected papers
Received 2023-10-25
Accepted 2024-04-26
Published 2024-06-14
Alternative metrics via Dimensions and altmetric


Smart Citations via scite_