From 0f791492c772b8b8ff70a62360d8a8cf340ae98d Mon Sep 17 00:00:00 2001 From: Sarah Shi Date: Tue, 26 Mar 2024 16:45:00 -0400 Subject: [PATCH] PyIRoGlass v0.6.1! --- README.md | 5 ++--- docs/Changelog.rst | 2 +- 2 files changed, 3 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 7b0d9cf1..a465364b 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,7 @@ [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/SarahShi/PyIRoGlass/blob/main/PyIRoGlass_RUN_colab.ipynb) [![Python 3.8](https://img.shields.io/badge/python-3.8+-blue.svg)](https://www.python.org/downloads/release/python-380/) [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) +[![DOI](https://zenodo.org/badge/406815894.svg)](https://zenodo.org/doi/10.5281/zenodo.10883628) PyIRoGlass is a Bayesian MCMC-founded Python algorithm, written in the open-source language Python3, for determining $\mathrm{H_2O}$ and $\mathrm{CO_2}$ species concentrations in the transmission FTIR spectra of basaltic to andesitic glasses. We leverage a database of naturally degassed melt inclusions and back-arc basin basalts to delineate the fundamental shape and variability of the baseline underlying the $\mathrm{CO_{3}^{2-}}$ and $\mathrm{H_2O_{m, 1635}}$ peaks, in the mid-infrared region. PyIRoGlass employs Bayesian inference and Markov Chain Monte Carlo sampling to fit all probable baselines and peaks, solving for best-fit parameters and capturing covariance to offer robust uncertainty estimates. @@ -29,6 +30,4 @@ Make sure that you keep up with the latest version of PyIRoGlass. To upgrade to ``` pip install PyIRoGlass --upgrade -``` - -## Using Published FTIR Spectra +``` \ No newline at end of file diff --git a/docs/Changelog.rst b/docs/Changelog.rst index 454086f2..ed09d0c1 100644 --- a/docs/Changelog.rst +++ b/docs/Changelog.rst @@ -4,7 +4,7 @@ Change Log Version 0.6.1 ============= -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 +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. Version 0.5.2