Introduction and Citation

Welcome to PyIRoGlass: An Open-Source, Bayesian MCMC Algorithm for Fitting Baselines to FTIR Spectra of Basaltic-Andesitic Glasses. PyIRoGlass is an open-source Python tool for determining \(\text{H}_{2}\text{O}\) and \(\text{CO}_{2}\) species concentrations in the transmission FTIR spectra of basaltic to andesitic glasses.

PyIRoGlass has been reviewed and published at Volcanica [Shi et al., 2024]. Please refer to the manuscript for a more detailed description of the development and validation of the method. If you use this package in your work, please cite:

Shi, S., Towbin, W. H., Plank, T., Barth, A., Rasmussen, D., Moussallam, Y., Lee, H. J. and Menke, W. (2024) “PyIRoGlass: An open-source, Bayesian MCMC algorithm for fitting baselines to FTIR spectra of basaltic-andesitic glasses”, Volcanica, 7(2), pp. 471–501. doi: 10.30909/vol.07.02.471501.

@article{Shietal2024,
    doi       = {10.30909/vol.07.02.471501},
    url       = {https://doi.org/10.30909/vol.07.02.471501},
    year      = {2024},
    volume    = {7},
    number    = {2},
    pages     = {471-501},
    author    = {Shi, Sarah C. and Towbin, W. Henry and Plank, Terry and Barth, Anna and Rasmussen, Daniel and Moussallam, Yves and Lee, Hyun Joo and Menke, William},
    title     = {PyIRoGlass: An open-source, Bayesian MCMC algorithm for fitting baselines to FTIR spectra of basaltic-andesitic glasses},
    journal   = {Volcanica}
}

The open-source nature of the tool allows for continuous development. We welcome the submission of devolatilized FTIR spectra that can continue to shape the form of the baseline, and molar absorptivities. You can email sarahshi@berkeley.edu or post an enhancement request or report of a bug on the issue page of the PyIRoGlass GitHub repository.

Collaborators

These folks have been fundamental to the development of PyIRoGlass:

Units

PyIRoGlass performs all calculations using melt compositions in oxide weight percentages, thicknesses in micrometers, analytical temperature in Celsius, and analytical pressure in bars.