.. include:: ./substitutions.rst

MagmaPandas includes a range of models to calculate |fO2|, |Kd|, |Fe3Fe2|, olivine liquidus temperatures, and |H2O|-|CO2| saturation pressures. For |Fe3Fe2| and |Kd|, calibration datasets are (partially) included, and MagmaPandas has built-in functions to access and plot them. Amongst other things, these functions can be used to compare compositions in your own dataset to those in the calibrations in order to select an appropriate model. `The example notebooks <https://magmapandas.readthedocs.io/en/latest/notebooks/calibration_plots.html#>`_ provide instructions on how to use these functions.

Errors are uncertainties on calibrations, as reported in their original publications. Fe3Fe2 errors are fitted from a validation dataset, please see the `Fe3Fe2 error documentation <https://magmapandas.readthedocs.io/en/latest/notebooks/Fe3Fe2_errors.html>`_ for further explanation. For |fo2| and volatile solubility models, errors are not available

To confirm the accuracy of the models coded in MagmaPandas we performed benchmarks, which can be viewed `here <https://magmapandas.readthedocs.io/en/latest/benchmarks.html>`_

================
Available models
================

.. list-table:: Models available in MagmaPandas.
   :header-rows: 1
   :widths: 10 10 10 10 10

   * - Parameter
     - Model
     - Equation
     - Error
     - MagmaPandas name
   * - |fO2| buffer
     - 
     - 
     -
     - 
   * - QFM
     - :cite:t:`oneill_quartz-fayalite-iron_1987`
     - method from 
     -
     - QFM
   * - 
     - :cite:t:`holland_enlarged_1990` 
     - :cite:t:`VanGerve2024`
     -
     -
   * - 
     - :cite:t:`holland1998`
     -
     -
     -
   * - 
     - :cite:t:`jennings_simple_2015`
     -
     -
     -
   * - IW
     - :cite:t:`Hirschmann2021` 
     - eqs. 4 \& 17
     -
     - IW
   * -
     -
     -
     -
     -
   * - |Kd|
     - :cite:t:`toplis_thermodynamics_2005`
     - eq. 10
     - 0.02
     - toplis2005
   * - 
     - :cite:t:`blundy_effect_2020` 
     - eq. 8
     - Na\ :sub:`2`\O + K\ :sub:`2`\O < 6\ : 0.019
     - blundy2020
   * - 
     -
     -
     - Na\ :sub:`2`\O + K\ :sub:`2`\O ≥ 6\ : 0.04
     -
   * - 
     -
     -
     - Na\ :sub:`2`\O + K\ :sub:`2`\O ≥ 9\ : 0.063
     -
   * - 
     - :cite:t:`Putirka2016` 
     - eq. 8a
     - 0.04
     - putirka2016_8a
   * - 
     - 
     - eq. 8b
     - 0.04
     - putirka2016_8b
   * - 
     - 
     - eq. 8c
     - 0.04
     - putirka2016_8c
   * - 
     - 
     - eq. 8d
     - 0.04
     - putirka2016_8d
   * - 
     - :cite:t:`Sun2020a`
     - eq. 7
     - 0.03
     - sun2020
   * -
     - :cite:t:`Saper2022`
     - eq. 10
     - 0.0141
     - saper2022
   * - 
     - fixed value
     - user set
     - user set
     - fixed
   * - 
     -
     -
     -
     -
   * - melt |Fe3Fe2|
     - :cite:t:`borisov_ferricferrous_2018`
     - eq. 4
     - fitted
     - borisov2018
   * - 
     - :cite:t:`kress_compressibility_1991`
     - eq. 7
     - fitted
     - kress_carmichael1991
   * - 
     - :cite:t:`Jayasuriya2004` 
     - eq. 6b
     - fitted
     - jayasuriya2004
   * - 
     - :cite:t:`Putirka2016` 
     - eq. 6b
     - fitted
     - putirka2016_6b
   * - 
     - 
     - eq. 6c
     - fitted
     - putirka2016_6c
   * - 
     - :cite:t:`Deng2020` 
     - eq. 3
     - fitted
     - deng2020
   * - 
     - :cite:t:`ONeill2006` 
     - eq. 10
     - fitted
     - oneill2006
   * - 
     - :cite:t:`oneill_oxidation_2018`
     - eq. 9a
     - fitted
     - oneill2016
   * - 
     - :cite:t:`Armstrong2019` 
     - eq. S12
     - fitted
     - armstrong2019
   * - 
     - :cite:t:`Zhang2017`
     - eq. 11
     - fitted
     - zhang2017
   * - 
     - :cite:t:`Hirschmann2022`
     - eq. 21
     - fitted
     - hirschmann2022
   * - 
     - :cite:t:`Sun2024`  
     - eq. 9 
     - fitted
     - sun2024
   * - 
     - fixed value
     - user set
     - user set
     - fixed  
   * - 
     -
     -
     -
     -
   * - Olivine liquidus
     - :cite:t:`Putirka2008a`
     - eq. 13
     - 71°
     - putirka2008_13
   * - temperature
     - 
     - eq. 14
     - 58°
     - putirka2008_14
   * - 
     - 
     - eq. 15
     - 46°
     - putirka2008_15
   * - 
     - 
     - eq. 16
     - 26°
     - putirka2008_16
   * - 
     - :cite:t:`Sun2020a` 
     - eq. 9
     - 20°
     - sun2020
   * - 
     - :cite:t:`Shea2022`
     - eq. 1
     - 13°
     - shea2022
   * - 
     - :cite:t:`Sugawara2000`
     - eq. 3
     - 33°
     - sugawara2000_3
   * - 
     - 
     - eq. 6a
     - 30°
     - sugawara2000_6a
   * - 
     -
     -
     -
     -
   * - |H2O|-|CO2| saturation
     - :cite:t:`allison_mafich_2022` 
     - eqs. 5 \& 6
     - 
     - allison2022
   * - pressure
     - :cite:t:`iacono-marziano_new_2012`
     - eqs. 12 \& 13
     - 
     - iaconomarziano2012
   * - 
     - :cite:t:`shishkina_solubility_2010`
     - eqs. 9 \& 13
     -
     - shishkina2010