Welcome to PyIRoGlass’s documentation!

Contents

• Introduction and Citation
• Collaborators
• Units
• Installation & Updating
  • Installation
  • Updating
• Importing Data
• Importing Package
• PyIRoGlass for Transmission FTIR Spectra
• Thicknesses from Reflectance FTIR Spectra
• Data Import Complete
• Submitting data
• FAQs and Troubleshooting
• Change Log
  • Version 0.6.6
  • Version 0.6.5
  • Version 0.6.4
  • Version 0.6.3
  • Version 0.6.2
  • Version 0.6.1
  • Version 0.5.2
  • Version 0.5.1
  • Version 0.4.2
  • Version 0.4.1
  • Version 0.3.1
  • Version 0.2.2
  • Version 0.2.1
  • Version 0.2.0
  • Version 0.1.0
  • Version 0.0.1
  • Version 0.0.0

Transmission FTIR

• Transmission FTIR Spectra
• Load Python Packages and Data
  • Load Python Packages
  • Set paths to data
  • Set desired output file directory name
  • Load transmission FTIR spectra along with chemistry thickness data
• We’re ready to roll – MCMC, here we come!
• Outputs
  • LOG and NPZ
• Concentrations

Reflectance FTIR

• Reflectance FTIR Spectra
• Load Python Packages
• Olivine Thicknesses
• Glass Thicknesses

Density/Molar Absorptivity Calculators

• Useful FTIR Functions for Density and Molar Absorptivity
• Load Python Packages and Data
  • Load Python Packages
  • Set paths to data
  • Load chemistry and thickness data

Molar Absorptivity Inversion

• Reflectance FTIR Spectra
• Load Python Packages
  • Load Data
• ε5200 Dataset
• ε4500 Dataset
• ε3550 Dataset
• ε1635 Dataset
• εCarbonate Dataset
• Apply Inversion Parameters to determine Molar Absorptivities with Uncertainties

Detailed Code Documentation

• Building-block functions
  • PyIRoGlass Documentation
  • Data Imports
  • Building-blocks functions for fitting baselines and peaks
  • Functions for calculating concentrations
  • Functions for calculating density, molar absorptivity
  • Functions for plotting MCMC results
  • Functions for determining thickness from reflectance FTIR spectra
  • Functions for molar absorptivity inversions

References

• References