DiadFit: An Open-SourcePython3 Tool for Peak fitting of Raman Data from silicate melts and CO2 fluids

Autor: Penny Wieser, Charlotte DeVitre
Rok vydání: 2023
Popis: We present a new Open-Source Python3 tool, DiadFit, for efficient processing of Raman spectroscopydata associated with silicate melts and CO2 fluids. DiadFit can fit Fermi diads, hot bands, 13C peaks,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). We include generic peak fitting functions(e.g., for fitting carbonate and S-rich phases), and functions to quantify the area ratio of the silicate vs.H2O region of spectra collected on silicate glasses to determine H2O contents. DiadFit can convert between temperature, pressure and density using the CO2 equation of state (EOS), allowing calculation ofFI entrapment pressures (and depths in the crust) DiadFit can also calculate CO2 density from microthermometry measurements of Thomog . DiadFit can propagate errors in these EOS calculations using MonteCarlo methods. Documentation and worked examples are available (https://bit.ly/DiadFitRTD,https://bit.ly/DiadFitYouTube)
Databáze: OpenAIRE