Building-block functions

• PyIRoGlass Documentation
• Data Imports
  • SampleDataLoader
    • SampleDataLoader.spectrum_path
    • SampleDataLoader.chemistry_thickness_path
    • SampleDataLoader.load_spectrum_directory()
    • SampleDataLoader.load_chemistry_thickness()
    • SampleDataLoader.load_all_data()
  • VectorLoader
    • VectorLoader.base_path
    • VectorLoader.Baseline_PC_path
    • VectorLoader.H2Om_PC_path
    • VectorLoader.wn_high
    • VectorLoader.wn_low
    • VectorLoader.Wavenumber
    • VectorLoader.Baseline_PC
    • VectorLoader.H2Om_PC
    • VectorLoader.load_PC()
    • VectorLoader.load_wavenumber()
• Building-blocks functions for fitting baselines and peaks
  • gauss()
  • linear()
  • carbonate()
  • als_baseline()
  • WhittakerSmoother
    • WhittakerSmoother.y
    • WhittakerSmoother.upper_bands
  • NIR_process()
  • MIR_process()
  • MCMC()
  • calculate_baselines()
• Functions for calculating concentrations
  • beer_lambert()
  • beer_lambert_error()
  • calculate_concentrations()
• Functions for calculating density, molar absorptivity
  • calculate_density()
  • calculate_epsilon()
• Functions for plotting MCMC results
  • plot_H2Om_OH()
  • plot_H2Ot_3550()
  • derive_carbonate()
  • plot_carbonate()
  • plot_modelfit()
  • plot_trace()
• Functions for determining thickness from reflectance FTIR spectra
  • datacheck_peakdetect()
  • peakdetect()
  • peakID()
  • calculate_thickness()
  • calculate_mean_thickness()
  • reflectance_index()
• Functions for molar absorptivity inversions
  • inversion()
  • least_squares()
  • calculate_calibration_error()
  • calculate_y_inversion()
  • calculate_SEE()
  • calculate_R2()
  • calculate_RMSE()
  • calculate_RRMSE()
  • calculate_CCC()
  • inversion_fit_errors()
  • inversion_fit_errors_plotting()