Change Log

Version 0.6.6

Rename reflectance index calculator from pig.reflectance_index() to pig.reflectance_index_ol(). Add pig.reflectance_index_cpx() and pig.reflectance_index_opx() for other mineral phases. Remove support for python3.8. .. Create pig.calculate_baselines_carbon() for where all C is dissolved as carbon dioxide. WAIT TO RELEASE LATER.

Version 0.6.5

Update for numpy 2 compatibility. Provide option to ignore NIR peaks in pig.calculate_baselines() and pig.calculate_concentrations(), for datasets without NIR data. Thanks to Prof. Jackie Dixon for suggesting this feature.

Version 0.6.4

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

Version 0.6.3

Return UserWarning for compositions outside of the calibration ranges for the epsilon (molar absorptivities) in function pig.calculate_concentrations() and pig.calculate_epsilon(), UserWarning for when data do not span the full wavenumber range of 1000-5500 cm^-1 whilst using class pig.SampleDataLoader. Thanks to Prof. Shuo Ding and Emilia Pelegano-Titmuss for identifying common errors during test usage, which contributed to these improvements.

Version 0.6.2

Return ValueError for mismatched samples in peak height and composition DataFrames in function pig.calculate_concentrations(), UserWarning for missing data columns in composition DataFrame in class pig.SampleDataLoader. Thanks to Dr. Shuo Ding for identifying common errors during test usage, which contributed to these improvements.

Version 0.6.1

Update composition-dependent epsilon inversions to add Shi et al. [2024] values for \(\text{H}_2\text{O}_{t, 3550}\) and \(\text{CO}_3^{2-}\), slight correction. Correct data export paths in pig.calculate_baselines() and pig.calculate_concentrations(). Update PC vector creation.

Version 0.5.2

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

Version 0.5.1

Updating molar absorptivity inversions to add Shi et al. [2024] values for \(\text{H}_2\text{O}_{t, 3550}\) and \(\text{CO}_3^{2-}\). Update data export paths to be more sensible within the functions pig.calculate_baselines() and pig.calculate_concentrations(). Add to the inversion.py functionality for calculating statistics.

Version 0.4.2

Streamline exports from function pig.calculate_concentrations(), merge sheets. Working through reviewer comments from Volcanica! Thanks to Daniel Lee for identifying a to_csv bug during test usage.

Version 0.4.1

Updating functions loading data to be in object-oriented structure. Streamlining and separating out plotting functions from remaining code. Removing excess variables. Renaming for consistency with Python function guidance. Correcting for pep8. Working through reviewer comments!

Version 0.3.1

Updating epsilon (molar absorptivity) inversion to add Brounce et al. [2021] value for \(\text{CO}_3^{2-}\). Paper submitted to Volcanica!

Version 0.2.2

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

Version 0.2.1

Minimal changes to clean code, fix unit testing, and prepare for publication.

Version 0.2.0

Update parameter estimation regions with the guidance of devolatilized spectra, improve functionality.

Version 0.1.0

Update version on PyPi to be compatible with mc3 v3.1.2.

Version 0.0.1

Update version on PyPi to fix .npz read.

Version 0.0.0

First version on PyPi.