PyIRoGlass v0.6.4

Update output directory generation, correct density model implementation. Updated ReadtheDocs to account for new functions and warnings. Rename composition parameters as chemistry for consistency.

PyIRoGlass v0.6.3

Return UserWarning for compositions outside of the epsilon calibration ranges, UserWarning for when data do not span the full wavenumber range

PyIRoGlass v0.6.2

Return ValueError for mismatched samples in peak height and composition DataFrames, UserWarning for missing data columns in composition DataFrame

PyIRoGlass v0.6.1

Update composition-dependent epsilon inversions to add Shi et al., 2024 values for H2Ot, 3550 and carbonate, slight correction. Correct data export paths in calculate_baselines and calculate_concentrations. Update PC vector creation.

PyIRoGlass v0.5.2

Account for variability in export_path naming practice. Remove remove_baseline argument from thickness functions.

PyIRoGlass v0.5.1

Updating molar absorptivity inversions to add Shi et al., 2024 values for H$2$O${t, 3550}$ and carbonate. Update data export paths to be more sensible within the calculate_baselines and calculate_concentrations functions. Add to the inversion.py functionality for calculating statistics (CCC, RMSE).

PyIRoGlass v0.4.2

PyIRoGlass v0.4.2 with exports from calculate_concentrations function streamlined — in response to reviewer revisions.

PyIRoGlass v0.4.1

PyIRoGlass v0.4.1 with introduction of new classes for loading data, streamlined functions (particularly for plotting), and pep8 compliance — in response to reviewer revisions.

PyIRoGlass v0.3.1

PyIRoGlass v0.3.1 with updates to the carbonate molar absorptivity inversion, submitted for publication.

PyIRoGlass v0.2.2

Accidental deletion of GitHub commits, this restores all commits to v0.2.1. .git file size reduced.