{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Opx-Cpx Thermobarometry\n",
    "- In this notebook, we consider analyses of touching Cpx-Opx pairs\n",
    "- For the situation common in lavas where you have a lot of individual Cpx-Opx crystals, and you want to assess all possible combinations from a single sample or deposit, see the second notebook \"Opx_Cpx_Matching\"\n",
    "- You can download the spreadsheet here: https://github.com/PennyWieser/Thermobar/blob/main/docs/Examples/Two_Pyroxene_Thermobarometry/Two_pyroxene_input.xlsx"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### You need to install Thermobar once on your machine, if you haven't done this yet, uncomment the line below (remove the #)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "#!pip install Thermobar"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Importing other python things"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "import matplotlib.pyplot as plt\n",
    "import Thermobar as pt\n",
    "pd.options.display.max_columns = None"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Loading in excel spreadsheet\n",
    "- Make an excel spreadsheet where you have rows for each touching pair, with the column headings SiO2_Opx for SiO2 in the Opx, SiO2_Cpx for SiO2 in the Cpx etc. The column order doesnt matter. "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
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       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Cpx  TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  \\\n",
       "0     52.30      0.70       3.00      5.10     0.11    16.60    21.50   \n",
       "1     51.70      0.28       8.38      6.69     0.15    21.40    11.70   \n",
       "2     51.50      0.45       8.10      6.96     0.17    20.30    12.60   \n",
       "3     51.06      0.62       3.16      6.18     0.12    15.78    20.82   \n",
       "4     53.32      0.48       2.25      5.92     0.15    16.91    20.73   \n",
       "\n",
       "   Na2O_Cpx  K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  \n",
       "0      0.33        0       0.58              0  \n",
       "1      0.64        0       0.05              1  \n",
       "2      0.56        0       0.09              2  \n",
       "3      0.27        0       0.01              3  \n",
       "4      0.28        0       0.12              4  "
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Opx  TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  \\\n",
       "0     55.00      0.34       1.50     11.30     0.24    30.70     0.90   \n",
       "1     52.70      0.15       8.10      8.48     0.14    29.40     2.14   \n",
       "2     53.20      0.20       7.40      8.80     0.13    29.20     2.37   \n",
       "3     55.15      0.17       1.19     10.21     0.22    29.99     1.66   \n",
       "4     56.32      0.13       1.41     10.17     0.26    30.88     1.05   \n",
       "\n",
       "   Na2O_Opx  K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  \n",
       "0      0.01        0       0.19              0  \n",
       "1      0.14        0       0.00              1  \n",
       "2      0.14        0       0.02              2  \n",
       "3      0.03        0       0.15              3  \n",
       "4      0.02        0       0.16              4  "
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "out=pt.import_excel('Two_pyroxene_input.xlsx', sheet_name=\"Paired_Cpx_Opx\")\n",
    "# This extracts a dataframe of all inputs\n",
    "my_input=out['my_input']\n",
    "# This extracts a dataframe of cpx compositions from the dictionary \"out\"\n",
    "Cpxs=out['Cpxs']\n",
    "# This extracts a dataframe of opx compositions from the dictionary \"out\"\n",
    "Opxs=out['Opxs']\n",
    "# Check the outputs to make sure there are no columns of zeros where you expect numbers\n",
    "display(Cpxs.head())\n",
    "display(Opxs.head())"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- If at any point you want to find out more about a function, and what equations it offers, you can use the help function"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Help on function calculate_cpx_opx_press in module Thermobar.two_pyroxene:\n",
      "\n",
      "calculate_cpx_opx_press(*, cpx_comps=None, opx_comps=None, Two_Px_Match=None, equationP=None, eq_tests=False, T=None)\n",
      "    calculates pressure in kbar for Opx-Cpx pairs\n",
      "    \n",
      "    The function requires inputs of cpx_comps and opx_comps, or input of a\n",
      "    combined dataframe of cpx-opx compositions (this is used for the\n",
      "    calculate_cpx_opx_press_temp_matching function)\n",
      "    \n",
      "    Parameters\n",
      "    -----------\n",
      "    \n",
      "    cpx_comps: pandas.DataFrame\n",
      "        Clinopyroxene compositions with column headings SiO2_Cpx, MgO_Cpx etc.\n",
      "    \n",
      "    opx_comps: pandas.DataFrame\n",
      "       Opx compositions with column headings SiO2_Opx, MgO_Opx etc.\n",
      "    \n",
      "    Two_Px_Match: pandas.DataFrame\n",
      "        Combined Cpx-Opx compositions instead of separate dataframes.\n",
      "        Used for calculate Cpx_Opx_press_temp_matching function.\n",
      "    \n",
      "    equationP: str\n",
      "        Choose from:\n",
      "    \n",
      "        |  P_Put2008_eq38 (T-independent)\n",
      "        |  P_Put2008_eq39 (T-dependent)\n",
      "    \n",
      "    T: float, int, pd.Series, str  (\"Solve\")\n",
      "        Temperature in Kelvin to perform calculations at.\n",
      "        Only needed for T-sensitive barometers.\n",
      "        If T=\"Solve\", returns a partial function.\n",
      "        Else, enter an integer, float, or panda series.\n",
      "    \n",
      "    eq_tests: bool\n",
      "        If False, just returns temperature in K (default) as a panda series.\n",
      "        If True, returns pressure in kbar, Kd Fe-Mg for opx-cpx,\n",
      "        and the user-entered cpx and opx comps as a panda dataframe.\n",
      "    \n",
      "    \n",
      "    Returns\n",
      "    -------\n",
      "    If eq_tests is False\n",
      "        pandas.Series: Pressure in kbar\n",
      "    If eq_tests is True\n",
      "        pandas.DataFrame: Pressure in kbar + Kd-Fe-Mg + cpx+opx comps\n",
      "\n"
     ]
    }
   ],
   "source": [
    "help(pt.calculate_cpx_opx_press)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "- You can also do help on the equations themselves to get a bit more information, \n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Help on function P_Put2008_eq38 in module Thermobar.two_pyroxene:\n",
      "\n",
      "P_Put2008_eq38(T=None, *, Na_Opx_cat_6ox, Al_IV_Opx_cat_6ox, Al_VI_Opx_cat_6ox, Ti_Opx_cat_6ox, Ca_Opx_cat_6ox, Cr_Opx_cat_6ox, Mg_Opx_cat_6ox, Fet_Opx_cat_6ox, Mn_Opx_cat_6ox, Ca_Cpx_cat_6ox, Fm2Si2O6, En_Opx, Di_Opx)\n",
      "    Two pyroxene barometer of Putirka (2008) Eq38. Calibrated on Mg#-rich systems (>0.75)\n",
      "    :cite:`putirka2008thermometers`\n",
      "    \n",
      "    | SEE=+-3.7 kbar\n",
      "\n"
     ]
    }
   ],
   "source": [
    "help(pt.P_Put2008_eq38)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Example 1 - Calculating pressures."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "###  1a - Pressures using equation 38 of Putirka (2008)\n",
    "- You must specify Opx compositions, Cpx compositions and an equation for pressure\n",
    "- Equation 38 is independent of temperature, so you don't need to specify a temp"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0     2.187907\n",
       "1    16.535654\n",
       "2    14.450339\n",
       "3     2.380005\n",
       "4     4.099411\n",
       "dtype: float64"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Eq38=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs, equationP=\"P_Put2008_eq38\")\n",
    "P_Eq38.head() # Head shows the first 5 results"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### To get equilibrium tests, specify eq_tests=True. This also returns input compositions. "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Equation Choice (P)</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>2.187907</td>\n",
       "      <td>N</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
       "      <td>1.912184</td>\n",
       "      <td>0.904784</td>\n",
       "      <td>0.155939</td>\n",
       "      <td>0.842247</td>\n",
       "      <td>0.129273</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003406</td>\n",
       "      <td>0.019251</td>\n",
       "      <td>0.016765</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.087816</td>\n",
       "      <td>0.041457</td>\n",
       "      <td>0.475459</td>\n",
       "      <td>0.081945</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>4.007242</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>0.092887</td>\n",
       "      <td>0.008383</td>\n",
       "      <td>0.122977</td>\n",
       "      <td>0.852984</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0</td>\n",
       "      <td>0.018064</td>\n",
       "      <td>0.034876</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.139899</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.663987</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.006140</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.828850</td>\n",
       "      <td>0.871733</td>\n",
       "      <td>0.834684</td>\n",
       "      <td>0.027496</td>\n",
       "      <td>0.604991</td>\n",
       "      <td>0.216022</td>\n",
       "      <td>0.645067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>16.535654</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>14.450339</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>2.380005</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.099411</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc High T Kd Eq? Equation Choice (P) Low T Kd Eq?  SiO2_Cpx  \\\n",
       "0     2.187907             N      P_Put2008_eq38            Y     52.30   \n",
       "1    16.535654             Y      P_Put2008_eq38            Y     51.70   \n",
       "2    14.450339             Y      P_Put2008_eq38            Y     51.50   \n",
       "3     2.380005             Y      P_Put2008_eq38            Y     51.06   \n",
       "4     4.099411             Y      P_Put2008_eq38            Y     53.32   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "0      0.70       3.00      5.10     0.11    16.60    21.50      0.33   \n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "0        0       0.58              0        1.912184        0.904784   \n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "0         0.155939        0.842247        0.129273        0.023393   \n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "0            0.0        0.003406        0.019251        0.016765   \n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "0                0.0       0.087816       0.041457              0.475459   \n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "0              0.081945              0.442596        4.007242   0.442596   \n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "0         0.014485         0.141454              0.092887  0.008383  0.122977   \n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "0  0.852984  0.023393                   0  0.018064  0.034876   0.780925   \n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "0  0.139899   0.780925  0.663987      0.014485     0.141454     55.00   \n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "0      0.34       1.50     11.30     0.24    30.70     0.90      0.01   \n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0        0       0.19              0        1.943665        1.617356   \n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335           0.006140   \n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142  0.828850   \n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "0  0.871733          0.834684         0.027496  0.604991  0.216022   \n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "0      0.645067  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  "
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Eq38_EqTests=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs, \n",
    "                                          equationP=\"P_Put2008_eq38\", eq_tests=True)\n",
    "P_Eq38_EqTests.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### You can then filter this to get only ones in high T equilibrium"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Equation Choice (P)</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>16.535654</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>14.450339</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>2.380005</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.099411</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>14.809877</td>\n",
       "      <td>Y</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.58</td>\n",
       "      <td>0.00</td>\n",
       "      <td>7.28</td>\n",
       "      <td>3.75</td>\n",
       "      <td>0.00</td>\n",
       "      <td>19.55</td>\n",
       "      <td>15.94</td>\n",
       "      <td>0.70</td>\n",
       "      <td>0</td>\n",
       "      <td>1.20</td>\n",
       "      <td>5</td>\n",
       "      <td>1.847739</td>\n",
       "      <td>1.044034</td>\n",
       "      <td>0.112343</td>\n",
       "      <td>0.611816</td>\n",
       "      <td>0.307360</td>\n",
       "      <td>0.048619</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.033985</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.152261</td>\n",
       "      <td>0.155100</td>\n",
       "      <td>0.590452</td>\n",
       "      <td>0.063536</td>\n",
       "      <td>0.346012</td>\n",
       "      <td>4.005897</td>\n",
       "      <td>0.346012</td>\n",
       "      <td>0.011794</td>\n",
       "      <td>0.100549</td>\n",
       "      <td>0.104985</td>\n",
       "      <td>0.016993</td>\n",
       "      <td>0.273356</td>\n",
       "      <td>0.902846</td>\n",
       "      <td>0.048619</td>\n",
       "      <td>0</td>\n",
       "      <td>0.106481</td>\n",
       "      <td>0.022890</td>\n",
       "      <td>0.465453</td>\n",
       "      <td>0.345462</td>\n",
       "      <td>0.465453</td>\n",
       "      <td>0.420233</td>\n",
       "      <td>0.011794</td>\n",
       "      <td>0.100549</td>\n",
       "      <td>54.40</td>\n",
       "      <td>0.00</td>\n",
       "      <td>5.40</td>\n",
       "      <td>5.90</td>\n",
       "      <td>0.00</td>\n",
       "      <td>31.20</td>\n",
       "      <td>2.30</td>\n",
       "      <td>0.20</td>\n",
       "      <td>0</td>\n",
       "      <td>0.60</td>\n",
       "      <td>5</td>\n",
       "      <td>1.884939</td>\n",
       "      <td>1.611616</td>\n",
       "      <td>0.170965</td>\n",
       "      <td>0.085388</td>\n",
       "      <td>0.220521</td>\n",
       "      <td>0.013436</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.016436</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.115061</td>\n",
       "      <td>0.105459</td>\n",
       "      <td>1.884939</td>\n",
       "      <td>0.862764</td>\n",
       "      <td>0.091524</td>\n",
       "      <td>0.045712</td>\n",
       "      <td>4.003301</td>\n",
       "      <td>0.045712</td>\n",
       "      <td>0.013436</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.016436</td>\n",
       "      <td>0.075587</td>\n",
       "      <td>0.085388</td>\n",
       "      <td>0.810802</td>\n",
       "      <td>0.733040</td>\n",
       "      <td>0.077199</td>\n",
       "      <td>0.904089</td>\n",
       "      <td>0.757966</td>\n",
       "      <td>1.014348</td>\n",
       "      <td>0.006602</td>\n",
       "      <td>0.496311</td>\n",
       "      <td>0.219969</td>\n",
       "      <td>0.647330</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc High T Kd Eq? Equation Choice (P) Low T Kd Eq?  SiO2_Cpx  \\\n",
       "1    16.535654             Y      P_Put2008_eq38            Y     51.70   \n",
       "2    14.450339             Y      P_Put2008_eq38            Y     51.50   \n",
       "3     2.380005             Y      P_Put2008_eq38            Y     51.06   \n",
       "4     4.099411             Y      P_Put2008_eq38            Y     53.32   \n",
       "5    14.809877             Y      P_Put2008_eq38            Y     51.58   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "5      0.00       7.28      3.75     0.00    19.55    15.94      0.70   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "5        0       1.20              5        1.847739        1.044034   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "5         0.112343        0.611816        0.307360        0.048619   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "5            0.0        0.000000        0.000000        0.033985   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "5                0.0       0.152261       0.155100              0.590452   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "5              0.063536              0.346012        4.005897   0.346012   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "5         0.011794         0.100549              0.104985  0.016993  0.273356   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "5  0.902846  0.048619                   0  0.106481  0.022890   0.465453   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "5  0.345462   0.465453  0.420233      0.011794     0.100549     54.40   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "5      0.00       5.40      5.90     0.00    31.20     2.30      0.20   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "5        0       0.60              5        1.884939        1.611616   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "5         0.170965        0.085388        0.220521        0.013436   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "5            0.0        0.000000        0.000000        0.016436   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "5                    0.0           0.115061           0.105459   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "5           1.884939              0.862764              0.091524   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "5              0.045712        4.003301   0.045712   0.013436    0.000000   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "5   0.016436   0.075587   0.085388  0.810802  0.733040  0.077199  0.904089   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "5  0.757966          1.014348         0.006602  0.496311  0.219969   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  \n",
       "5      0.647330  "
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Eq38_EqTests_Filt=P_Eq38_EqTests.loc[P_Eq38_EqTests['High T Kd Eq?']==\"Y\"]\n",
    "P_Eq38_EqTests_Filt.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### 1b - Equation 39 (T-dependent)\n",
    "- Equation 39 requires you to specify a temperature\n",
    "- You can either specify T= constant (e.g, T=1300 K), or specify T=my_input['column name'] where column name is a heading storing temp in the input dataset"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    4.038935\n",
       "1    2.201826\n",
       "2    1.189798\n",
       "3    3.239557\n",
       "4    4.757423\n",
       "dtype: float64"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Reading temperature from the column T_K in the input spreadsheet\n",
    "P_Eq39_inputT=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs,  \n",
    "                                         equationP=\"P_Put2008_eq39\", T=my_input['T_K'])\n",
    "P_Eq39_inputT.head() "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    5.247185\n",
       "1    3.410076\n",
       "2    2.398048\n",
       "3    4.447807\n",
       "4    5.965673\n",
       "dtype: float64"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Performing calculations at fixed temp (1300K)\n",
    "P_Eq39_fixedT=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs,  \n",
    "                                        equationP=\"P_Put2008_eq39\", T=1300)\n",
    "P_Eq39_fixedT.head() # Shows the first 5 outputs. Remove .head() to see them all"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Example 2 - Calculating Temperature\n",
    "- Similarly to pressure, there is a function called calculate_cpx_opx_temp which calculates Temp given Cpx, Opx compositions, an equation, and a pressure (if equation is P-sensitive)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 2a - Wood and Wells (1973)\n",
    "- This equation is P-independent, so doesn't require a pressure"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>Equation Choice (T)</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1324.760052</td>\n",
       "      <td>T_Wood1973</td>\n",
       "      <td>N</td>\n",
       "      <td>Y</td>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
       "      <td>1.912184</td>\n",
       "      <td>0.904784</td>\n",
       "      <td>0.155939</td>\n",
       "      <td>0.842247</td>\n",
       "      <td>0.129273</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003406</td>\n",
       "      <td>0.019251</td>\n",
       "      <td>0.016765</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.087816</td>\n",
       "      <td>0.041457</td>\n",
       "      <td>0.475459</td>\n",
       "      <td>0.081945</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>4.007242</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>0.092887</td>\n",
       "      <td>0.008383</td>\n",
       "      <td>0.122977</td>\n",
       "      <td>0.852984</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0</td>\n",
       "      <td>0.018064</td>\n",
       "      <td>0.034876</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.139899</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.663987</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.006140</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.828850</td>\n",
       "      <td>0.871733</td>\n",
       "      <td>0.834684</td>\n",
       "      <td>0.027496</td>\n",
       "      <td>0.604991</td>\n",
       "      <td>0.216022</td>\n",
       "      <td>0.645067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1660.188018</td>\n",
       "      <td>T_Wood1973</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1619.841099</td>\n",
       "      <td>T_Wood1973</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1325.580654</td>\n",
       "      <td>T_Wood1973</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1360.156781</td>\n",
       "      <td>T_Wood1973</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      T_K_calc Equation Choice (T) High T Kd Eq? Low T Kd Eq?  SiO2_Cpx  \\\n",
       "0  1324.760052          T_Wood1973             N            Y     52.30   \n",
       "1  1660.188018          T_Wood1973             Y            Y     51.70   \n",
       "2  1619.841099          T_Wood1973             Y            Y     51.50   \n",
       "3  1325.580654          T_Wood1973             Y            Y     51.06   \n",
       "4  1360.156781          T_Wood1973             Y            Y     53.32   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "0      0.70       3.00      5.10     0.11    16.60    21.50      0.33   \n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "0        0       0.58              0        1.912184        0.904784   \n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "0         0.155939        0.842247        0.129273        0.023393   \n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "0            0.0        0.003406        0.019251        0.016765   \n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "0                0.0       0.087816       0.041457              0.475459   \n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "0              0.081945              0.442596        4.007242   0.442596   \n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "0         0.014485         0.141454              0.092887  0.008383  0.122977   \n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "0  0.852984  0.023393                   0  0.018064  0.034876   0.780925   \n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "0  0.139899   0.780925  0.663987      0.014485     0.141454     55.00   \n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "0      0.34       1.50     11.30     0.24    30.70     0.90      0.01   \n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0        0       0.19              0        1.943665        1.617356   \n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335           0.006140   \n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142  0.828850   \n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "0  0.871733          0.834684         0.027496  0.604991  0.216022   \n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "0      0.645067  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  "
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "T_Wood=pt.calculate_cpx_opx_temp(opx_comps=Opxs, cpx_comps=Cpxs, \n",
    "                                 equationT=\"T_Wood1973\", eq_tests=True)\n",
    "T_Wood.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### 2b - Putirka (2008) eq 36 (P-dependent). \n",
    "- Must specify a P, can enter as a constant (in kbar, in this example P=5kbar), or tell it to read in from a column in the input, as for temp"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "        vertical-align: top;\n",
       "    }\n",
       "\n",
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>Equation Choice (T)</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1266.450414</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>N</td>\n",
       "      <td>Y</td>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
       "      <td>1.912184</td>\n",
       "      <td>0.904784</td>\n",
       "      <td>0.155939</td>\n",
       "      <td>0.842247</td>\n",
       "      <td>0.129273</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003406</td>\n",
       "      <td>0.019251</td>\n",
       "      <td>0.016765</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.087816</td>\n",
       "      <td>0.041457</td>\n",
       "      <td>0.475459</td>\n",
       "      <td>0.081945</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>4.007242</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>0.092887</td>\n",
       "      <td>0.008383</td>\n",
       "      <td>0.122977</td>\n",
       "      <td>0.852984</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0</td>\n",
       "      <td>0.018064</td>\n",
       "      <td>0.034876</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.139899</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.663987</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.006140</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.828850</td>\n",
       "      <td>0.871733</td>\n",
       "      <td>0.834684</td>\n",
       "      <td>0.027496</td>\n",
       "      <td>0.604991</td>\n",
       "      <td>0.216022</td>\n",
       "      <td>0.645067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1490.724353</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1496.279136</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1286.405818</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1279.823849</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>Y</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      T_K_calc Equation Choice (T) High T Kd Eq? Low T Kd Eq?  SiO2_Cpx  \\\n",
       "0  1266.450414      T_Put2008_eq36             N            Y     52.30   \n",
       "1  1490.724353      T_Put2008_eq36             Y            Y     51.70   \n",
       "2  1496.279136      T_Put2008_eq36             Y            Y     51.50   \n",
       "3  1286.405818      T_Put2008_eq36             Y            Y     51.06   \n",
       "4  1279.823849      T_Put2008_eq36             Y            Y     53.32   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "0      0.70       3.00      5.10     0.11    16.60    21.50      0.33   \n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "0        0       0.58              0        1.912184        0.904784   \n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "0         0.155939        0.842247        0.129273        0.023393   \n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "0            0.0        0.003406        0.019251        0.016765   \n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "0                0.0       0.087816       0.041457              0.475459   \n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "0              0.081945              0.442596        4.007242   0.442596   \n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "0         0.014485         0.141454              0.092887  0.008383  0.122977   \n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "0  0.852984  0.023393                   0  0.018064  0.034876   0.780925   \n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "0  0.139899   0.780925  0.663987      0.014485     0.141454     55.00   \n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "0      0.34       1.50     11.30     0.24    30.70     0.90      0.01   \n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0        0       0.19              0        1.943665        1.617356   \n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335           0.006140   \n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142  0.828850   \n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "0  0.871733          0.834684         0.027496  0.604991  0.216022   \n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "0      0.645067  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  "
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "T_Put_37=pt.calculate_cpx_opx_temp(opx_comps=Opxs, cpx_comps=Cpxs, P=5, \n",
    "                                   equationT=\"T_Put2008_eq36\", eq_tests=True)\n",
    "T_Put_37.head() # Shows the first 5 outputs. Remove .head() to see them all"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Example 3 - Iterating P and T\n",
    "- In many cases you won't know the pressure or the temperature, so you'll want to solve for 2 unknowns\n",
    "- The function \"calculate_cpx_opx_press_temp\" allows you to specify an equation for P and for T, and it solves these iteratively until a solution is reached\n",
    "- As with the Pressure and temperature functions, you can specify eq_tests=True to get more information in the returned panda dataframe"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### 3b - Here, use equation T of T_Put2008_Eq36, and equation P of P_Put2008_eq39"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>Equation Choice (T)</th>\n",
       "      <th>Equation Choice (P)</th>\n",
       "      <th>Delta Kd High T</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Delta Kd Low T</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1258.526669</td>\n",
       "      <td>3.380885</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>P_Put2008_eq39</td>\n",
       "      <td>0.255316</td>\n",
       "      <td>N</td>\n",
       "      <td>0.134684</td>\n",
       "      <td>Y</td>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
       "      <td>1.912184</td>\n",
       "      <td>0.904784</td>\n",
       "      <td>0.155939</td>\n",
       "      <td>0.842247</td>\n",
       "      <td>0.129273</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003406</td>\n",
       "      <td>0.019251</td>\n",
       "      <td>0.016765</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.087816</td>\n",
       "      <td>0.041457</td>\n",
       "      <td>0.475459</td>\n",
       "      <td>0.081945</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>4.007242</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>0.092887</td>\n",
       "      <td>0.008383</td>\n",
       "      <td>0.122977</td>\n",
       "      <td>0.852984</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0</td>\n",
       "      <td>0.018064</td>\n",
       "      <td>0.034876</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.139899</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.663987</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.006140</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.828850</td>\n",
       "      <td>0.871733</td>\n",
       "      <td>0.834684</td>\n",
       "      <td>0.027496</td>\n",
       "      <td>0.604991</td>\n",
       "      <td>0.216022</td>\n",
       "      <td>0.645067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1577.081747</td>\n",
       "      <td>15.878754</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>P_Put2008_eq39</td>\n",
       "      <td>0.006163</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.383837</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1573.435336</td>\n",
       "      <td>14.702638</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>P_Put2008_eq39</td>\n",
       "      <td>0.047662</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.437662</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1278.712525</td>\n",
       "      <td>3.489871</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>P_Put2008_eq39</td>\n",
       "      <td>0.060356</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.450356</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1280.203052</td>\n",
       "      <td>5.074810</td>\n",
       "      <td>T_Put2008_eq36</td>\n",
       "      <td>P_Put2008_eq39</td>\n",
       "      <td>0.026997</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.363003</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      T_K_calc  P_kbar_calc Equation Choice (T) Equation Choice (P)  \\\n",
       "0  1258.526669     3.380885      T_Put2008_eq36      P_Put2008_eq39   \n",
       "1  1577.081747    15.878754      T_Put2008_eq36      P_Put2008_eq39   \n",
       "2  1573.435336    14.702638      T_Put2008_eq36      P_Put2008_eq39   \n",
       "3  1278.712525     3.489871      T_Put2008_eq36      P_Put2008_eq39   \n",
       "4  1280.203052     5.074810      T_Put2008_eq36      P_Put2008_eq39   \n",
       "\n",
       "   Delta Kd High T High T Kd Eq?  Delta Kd Low T Low T Kd Eq?  SiO2_Cpx  \\\n",
       "0         0.255316             N        0.134684            Y     52.30   \n",
       "1         0.006163             Y        0.383837            Y     51.70   \n",
       "2         0.047662             Y        0.437662            Y     51.50   \n",
       "3         0.060356             Y        0.450356            Y     51.06   \n",
       "4         0.026997             Y        0.363003            Y     53.32   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "0      0.70       3.00      5.10     0.11    16.60    21.50      0.33   \n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "0        0       0.58              0        1.912184        0.904784   \n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "0         0.155939        0.842247        0.129273        0.023393   \n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "0            0.0        0.003406        0.019251        0.016765   \n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "0                0.0       0.087816       0.041457              0.475459   \n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "0              0.081945              0.442596        4.007242   0.442596   \n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "0         0.014485         0.141454              0.092887  0.008383  0.122977   \n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "0  0.852984  0.023393                   0  0.018064  0.034876   0.780925   \n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "0  0.139899   0.780925  0.663987      0.014485     0.141454     55.00   \n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "0      0.34       1.50     11.30     0.24    30.70     0.90      0.01   \n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0        0       0.19              0        1.943665        1.617356   \n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335           0.006140   \n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142  0.828850   \n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "0  0.871733          0.834684         0.027496  0.604991  0.216022   \n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "0      0.645067  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  "
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_T36_P39=pt.calculate_cpx_opx_press_temp(opx_comps=Opxs, cpx_comps=Cpxs,\n",
    "                                          equationP=\"P_Put2008_eq39\", \n",
    "                                          equationT=\"T_Put2008_eq36\", eq_tests=True)\n",
    "P_T36_P39.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### 3c - Here, use Temp from Bray 1990 and equation 38 from Putirka (2008)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a T-independent function\n"
     ]
    },
    {
     "data": {
      "text/html": [
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       "        vertical-align: top;\n",
       "    }\n",
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       "    .dataframe thead th {\n",
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       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>Equation Choice (T)</th>\n",
       "      <th>Equation Choice (P)</th>\n",
       "      <th>Delta Kd High T</th>\n",
       "      <th>High T Kd Eq?</th>\n",
       "      <th>Delta Kd Low T</th>\n",
       "      <th>Low T Kd Eq?</th>\n",
       "      <th>SiO2_Cpx</th>\n",
       "      <th>TiO2_Cpx</th>\n",
       "      <th>Al2O3_Cpx</th>\n",
       "      <th>FeOt_Cpx</th>\n",
       "      <th>MnO_Cpx</th>\n",
       "      <th>MgO_Cpx</th>\n",
       "      <th>CaO_Cpx</th>\n",
       "      <th>Na2O_Cpx</th>\n",
       "      <th>K2O_Cpx</th>\n",
       "      <th>Cr2O3_Cpx</th>\n",
       "      <th>Sample_ID_Cpx</th>\n",
       "      <th>Si_Cpx_cat_6ox</th>\n",
       "      <th>Mg_Cpx_cat_6ox</th>\n",
       "      <th>Fet_Cpx_cat_6ox</th>\n",
       "      <th>Ca_Cpx_cat_6ox</th>\n",
       "      <th>Al_Cpx_cat_6ox</th>\n",
       "      <th>Na_Cpx_cat_6ox</th>\n",
       "      <th>K_Cpx_cat_6ox</th>\n",
       "      <th>Mn_Cpx_cat_6ox</th>\n",
       "      <th>Ti_Cpx_cat_6ox</th>\n",
       "      <th>Cr_Cpx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>Al_IV_cat_6ox</th>\n",
       "      <th>Al_VI_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Cpx</th>\n",
       "      <th>Cation_Sum_Cpx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>Lindley_Fe3_Cpx</th>\n",
       "      <th>Lindley_Fe2_Cpx</th>\n",
       "      <th>Lindley_Fe3_Cpx_prop</th>\n",
       "      <th>CrCaTs</th>\n",
       "      <th>a_cpx_En</th>\n",
       "      <th>Mgno_Cpx</th>\n",
       "      <th>Jd</th>\n",
       "      <th>Jd_from 0=Na, 1=Al</th>\n",
       "      <th>CaTs</th>\n",
       "      <th>CaTi</th>\n",
       "      <th>DiHd_1996</th>\n",
       "      <th>EnFs</th>\n",
       "      <th>DiHd_2003</th>\n",
       "      <th>Di_Cpx</th>\n",
       "      <th>FeIII_Wang21</th>\n",
       "      <th>FeII_Wang21</th>\n",
       "      <th>SiO2_Opx</th>\n",
       "      <th>TiO2_Opx</th>\n",
       "      <th>Al2O3_Opx</th>\n",
       "      <th>FeOt_Opx</th>\n",
       "      <th>MnO_Opx</th>\n",
       "      <th>MgO_Opx</th>\n",
       "      <th>CaO_Opx</th>\n",
       "      <th>Na2O_Opx</th>\n",
       "      <th>K2O_Opx</th>\n",
       "      <th>Cr2O3_Opx</th>\n",
       "      <th>Sample_ID_Opx</th>\n",
       "      <th>Si_Opx_cat_6ox</th>\n",
       "      <th>Mg_Opx_cat_6ox</th>\n",
       "      <th>Fet_Opx_cat_6ox</th>\n",
       "      <th>Ca_Opx_cat_6ox</th>\n",
       "      <th>Al_Opx_cat_6ox</th>\n",
       "      <th>Na_Opx_cat_6ox</th>\n",
       "      <th>K_Opx_cat_6ox</th>\n",
       "      <th>Mn_Opx_cat_6ox</th>\n",
       "      <th>Ti_Opx_cat_6ox</th>\n",
       "      <th>Cr_Opx_cat_6ox</th>\n",
       "      <th>oxy_renorm_factor_opx</th>\n",
       "      <th>Al_IV_Opx_cat_6ox</th>\n",
       "      <th>Al_VI_Opx_cat_6ox</th>\n",
       "      <th>Si_Ti_Opx_cat_6ox</th>\n",
       "      <th>En_Simple_MgFeCa_Opx</th>\n",
       "      <th>Fs_Simple_MgFeCa_Opx</th>\n",
       "      <th>Wo_Simple_MgFeCa_Opx</th>\n",
       "      <th>Cation_Sum_Opx</th>\n",
       "      <th>Ca_CaMgFe</th>\n",
       "      <th>NaAlSi2O6</th>\n",
       "      <th>FmTiAlSiO6</th>\n",
       "      <th>CrAl2SiO6</th>\n",
       "      <th>FmAl2SiO6</th>\n",
       "      <th>CaFmSi2O6</th>\n",
       "      <th>Fm2Si2O6</th>\n",
       "      <th>En_Opx</th>\n",
       "      <th>Di_Opx</th>\n",
       "      <th>Mgno_OPX</th>\n",
       "      <th>En</th>\n",
       "      <th>Kd_Fe_Mg_Cpx_Opx</th>\n",
       "      <th>Lindley_Fe3_Opx</th>\n",
       "      <th>a_Di_cpx</th>\n",
       "      <th>Kf</th>\n",
       "      <th>a_En_opx_mod</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1239.928820</td>\n",
       "      <td>2.187907</td>\n",
       "      <td>T_Brey1990</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>0.255316</td>\n",
       "      <td>N</td>\n",
       "      <td>0.134684</td>\n",
       "      <td>Y</td>\n",
       "      <td>52.30</td>\n",
       "      <td>0.70</td>\n",
       "      <td>3.00</td>\n",
       "      <td>5.10</td>\n",
       "      <td>0.11</td>\n",
       "      <td>16.60</td>\n",
       "      <td>21.50</td>\n",
       "      <td>0.33</td>\n",
       "      <td>0</td>\n",
       "      <td>0.58</td>\n",
       "      <td>0</td>\n",
       "      <td>1.912184</td>\n",
       "      <td>0.904784</td>\n",
       "      <td>0.155939</td>\n",
       "      <td>0.842247</td>\n",
       "      <td>0.129273</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003406</td>\n",
       "      <td>0.019251</td>\n",
       "      <td>0.016765</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.087816</td>\n",
       "      <td>0.041457</td>\n",
       "      <td>0.475459</td>\n",
       "      <td>0.081945</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>4.007242</td>\n",
       "      <td>0.442596</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>0.092887</td>\n",
       "      <td>0.008383</td>\n",
       "      <td>0.122977</td>\n",
       "      <td>0.852984</td>\n",
       "      <td>0.023393</td>\n",
       "      <td>0</td>\n",
       "      <td>0.018064</td>\n",
       "      <td>0.034876</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.139899</td>\n",
       "      <td>0.780925</td>\n",
       "      <td>0.663987</td>\n",
       "      <td>0.014485</td>\n",
       "      <td>0.141454</td>\n",
       "      <td>55.00</td>\n",
       "      <td>0.34</td>\n",
       "      <td>1.50</td>\n",
       "      <td>11.30</td>\n",
       "      <td>0.24</td>\n",
       "      <td>30.70</td>\n",
       "      <td>0.90</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0.19</td>\n",
       "      <td>0</td>\n",
       "      <td>1.943665</td>\n",
       "      <td>1.617356</td>\n",
       "      <td>0.333959</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.062475</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007184</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.056335</td>\n",
       "      <td>0.006140</td>\n",
       "      <td>1.952703</td>\n",
       "      <td>0.814628</td>\n",
       "      <td>0.168208</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>4.013748</td>\n",
       "      <td>0.017164</td>\n",
       "      <td>0.000685</td>\n",
       "      <td>0.009038</td>\n",
       "      <td>0.005308</td>\n",
       "      <td>0.000146</td>\n",
       "      <td>0.034078</td>\n",
       "      <td>0.957618</td>\n",
       "      <td>0.790815</td>\n",
       "      <td>0.028142</td>\n",
       "      <td>0.828850</td>\n",
       "      <td>0.871733</td>\n",
       "      <td>0.834684</td>\n",
       "      <td>0.027496</td>\n",
       "      <td>0.604991</td>\n",
       "      <td>0.216022</td>\n",
       "      <td>0.645067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1595.369041</td>\n",
       "      <td>16.535654</td>\n",
       "      <td>T_Brey1990</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>0.006163</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.383837</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.70</td>\n",
       "      <td>0.28</td>\n",
       "      <td>8.38</td>\n",
       "      <td>6.69</td>\n",
       "      <td>0.15</td>\n",
       "      <td>21.40</td>\n",
       "      <td>11.70</td>\n",
       "      <td>0.64</td>\n",
       "      <td>0</td>\n",
       "      <td>0.05</td>\n",
       "      <td>1</td>\n",
       "      <td>1.830350</td>\n",
       "      <td>1.129447</td>\n",
       "      <td>0.198073</td>\n",
       "      <td>0.443816</td>\n",
       "      <td>0.349659</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004498</td>\n",
       "      <td>0.007456</td>\n",
       "      <td>0.001399</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.169650</td>\n",
       "      <td>0.180009</td>\n",
       "      <td>0.637624</td>\n",
       "      <td>0.111821</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>4.008630</td>\n",
       "      <td>0.250554</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>0.087138</td>\n",
       "      <td>0.000700</td>\n",
       "      <td>0.411086</td>\n",
       "      <td>0.850790</td>\n",
       "      <td>0.043931</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136078</td>\n",
       "      <td>0.016786</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.518634</td>\n",
       "      <td>0.290252</td>\n",
       "      <td>0.246111</td>\n",
       "      <td>0.017260</td>\n",
       "      <td>0.180814</td>\n",
       "      <td>52.70</td>\n",
       "      <td>0.15</td>\n",
       "      <td>8.10</td>\n",
       "      <td>8.48</td>\n",
       "      <td>0.14</td>\n",
       "      <td>29.40</td>\n",
       "      <td>2.14</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1</td>\n",
       "      <td>1.823396</td>\n",
       "      <td>1.516444</td>\n",
       "      <td>0.245370</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.330303</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004103</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.176604</td>\n",
       "      <td>0.153699</td>\n",
       "      <td>1.827300</td>\n",
       "      <td>0.823640</td>\n",
       "      <td>0.133270</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>4.012245</td>\n",
       "      <td>0.043089</td>\n",
       "      <td>0.009392</td>\n",
       "      <td>0.003904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.144307</td>\n",
       "      <td>0.079334</td>\n",
       "      <td>0.769186</td>\n",
       "      <td>0.660522</td>\n",
       "      <td>0.068126</td>\n",
       "      <td>0.860725</td>\n",
       "      <td>0.678544</td>\n",
       "      <td>1.083837</td>\n",
       "      <td>0.024489</td>\n",
       "      <td>0.386810</td>\n",
       "      <td>0.142639</td>\n",
       "      <td>0.569045</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1577.310529</td>\n",
       "      <td>14.450339</td>\n",
       "      <td>T_Brey1990</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>0.047662</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.437662</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.50</td>\n",
       "      <td>0.45</td>\n",
       "      <td>8.10</td>\n",
       "      <td>6.96</td>\n",
       "      <td>0.17</td>\n",
       "      <td>20.30</td>\n",
       "      <td>12.60</td>\n",
       "      <td>0.56</td>\n",
       "      <td>0</td>\n",
       "      <td>0.09</td>\n",
       "      <td>2</td>\n",
       "      <td>1.835204</td>\n",
       "      <td>1.078405</td>\n",
       "      <td>0.207416</td>\n",
       "      <td>0.481084</td>\n",
       "      <td>0.340188</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.005131</td>\n",
       "      <td>0.012062</td>\n",
       "      <td>0.002536</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.164796</td>\n",
       "      <td>0.175393</td>\n",
       "      <td>0.610336</td>\n",
       "      <td>0.117390</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>4.000717</td>\n",
       "      <td>0.272275</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>0.006917</td>\n",
       "      <td>0.001268</td>\n",
       "      <td>0.388642</td>\n",
       "      <td>0.838685</td>\n",
       "      <td>0.038691</td>\n",
       "      <td>0</td>\n",
       "      <td>0.136701</td>\n",
       "      <td>0.014047</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.478377</td>\n",
       "      <td>0.329068</td>\n",
       "      <td>0.274889</td>\n",
       "      <td>0.001435</td>\n",
       "      <td>0.205981</td>\n",
       "      <td>53.20</td>\n",
       "      <td>0.20</td>\n",
       "      <td>7.40</td>\n",
       "      <td>8.80</td>\n",
       "      <td>0.13</td>\n",
       "      <td>29.20</td>\n",
       "      <td>2.37</td>\n",
       "      <td>0.14</td>\n",
       "      <td>0</td>\n",
       "      <td>0.02</td>\n",
       "      <td>2</td>\n",
       "      <td>1.839965</td>\n",
       "      <td>1.505530</td>\n",
       "      <td>0.254529</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.301638</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003808</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.160035</td>\n",
       "      <td>0.141603</td>\n",
       "      <td>1.845168</td>\n",
       "      <td>0.814732</td>\n",
       "      <td>0.137741</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>4.008433</td>\n",
       "      <td>0.047527</td>\n",
       "      <td>0.009388</td>\n",
       "      <td>0.005203</td>\n",
       "      <td>0.000547</td>\n",
       "      <td>0.131669</td>\n",
       "      <td>0.087825</td>\n",
       "      <td>0.769585</td>\n",
       "      <td>0.656871</td>\n",
       "      <td>0.074962</td>\n",
       "      <td>0.855382</td>\n",
       "      <td>0.674378</td>\n",
       "      <td>1.137662</td>\n",
       "      <td>0.016867</td>\n",
       "      <td>0.412205</td>\n",
       "      <td>0.169248</td>\n",
       "      <td>0.562463</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1273.413868</td>\n",
       "      <td>2.380005</td>\n",
       "      <td>T_Brey1990</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>0.060356</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.450356</td>\n",
       "      <td>Y</td>\n",
       "      <td>51.06</td>\n",
       "      <td>0.62</td>\n",
       "      <td>3.16</td>\n",
       "      <td>6.18</td>\n",
       "      <td>0.12</td>\n",
       "      <td>15.78</td>\n",
       "      <td>20.82</td>\n",
       "      <td>0.27</td>\n",
       "      <td>0</td>\n",
       "      <td>0.01</td>\n",
       "      <td>3</td>\n",
       "      <td>1.914576</td>\n",
       "      <td>0.882079</td>\n",
       "      <td>0.193792</td>\n",
       "      <td>0.836461</td>\n",
       "      <td>0.139648</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.003811</td>\n",
       "      <td>0.017487</td>\n",
       "      <td>0.000296</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085424</td>\n",
       "      <td>0.054224</td>\n",
       "      <td>0.461258</td>\n",
       "      <td>0.101338</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>4.007780</td>\n",
       "      <td>0.437404</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>0.080287</td>\n",
       "      <td>0.000148</td>\n",
       "      <td>0.132428</td>\n",
       "      <td>0.819869</td>\n",
       "      <td>0.019629</td>\n",
       "      <td>0</td>\n",
       "      <td>0.034595</td>\n",
       "      <td>0.025415</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.149784</td>\n",
       "      <td>0.776303</td>\n",
       "      <td>0.634224</td>\n",
       "      <td>0.015559</td>\n",
       "      <td>0.178233</td>\n",
       "      <td>55.15</td>\n",
       "      <td>0.17</td>\n",
       "      <td>1.19</td>\n",
       "      <td>10.21</td>\n",
       "      <td>0.22</td>\n",
       "      <td>29.99</td>\n",
       "      <td>1.66</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0.15</td>\n",
       "      <td>3</td>\n",
       "      <td>1.968730</td>\n",
       "      <td>1.595973</td>\n",
       "      <td>0.304805</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.050066</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.006652</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.031270</td>\n",
       "      <td>0.018796</td>\n",
       "      <td>1.973295</td>\n",
       "      <td>0.812502</td>\n",
       "      <td>0.155175</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>4.000594</td>\n",
       "      <td>0.032324</td>\n",
       "      <td>0.002076</td>\n",
       "      <td>0.004565</td>\n",
       "      <td>0.004233</td>\n",
       "      <td>0.012486</td>\n",
       "      <td>0.063492</td>\n",
       "      <td>0.913443</td>\n",
       "      <td>0.764291</td>\n",
       "      <td>0.053125</td>\n",
       "      <td>0.839637</td>\n",
       "      <td>0.812807</td>\n",
       "      <td>1.150356</td>\n",
       "      <td>0.001187</td>\n",
       "      <td>0.601746</td>\n",
       "      <td>0.388240</td>\n",
       "      <td>0.636705</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1314.729086</td>\n",
       "      <td>4.099411</td>\n",
       "      <td>T_Brey1990</td>\n",
       "      <td>P_Put2008_eq38</td>\n",
       "      <td>0.026997</td>\n",
       "      <td>Y</td>\n",
       "      <td>0.363003</td>\n",
       "      <td>Y</td>\n",
       "      <td>53.32</td>\n",
       "      <td>0.48</td>\n",
       "      <td>2.25</td>\n",
       "      <td>5.92</td>\n",
       "      <td>0.15</td>\n",
       "      <td>16.91</td>\n",
       "      <td>20.73</td>\n",
       "      <td>0.28</td>\n",
       "      <td>0</td>\n",
       "      <td>0.12</td>\n",
       "      <td>4</td>\n",
       "      <td>1.947746</td>\n",
       "      <td>0.920861</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.811362</td>\n",
       "      <td>0.096868</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.004641</td>\n",
       "      <td>0.013189</td>\n",
       "      <td>0.003466</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.052254</td>\n",
       "      <td>0.044614</td>\n",
       "      <td>0.481352</td>\n",
       "      <td>0.094534</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>3.998814</td>\n",
       "      <td>0.424114</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.180851</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001733</td>\n",
       "      <td>0.158665</td>\n",
       "      <td>0.835841</td>\n",
       "      <td>0.019831</td>\n",
       "      <td>0</td>\n",
       "      <td>0.024783</td>\n",
       "      <td>0.013736</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.165301</td>\n",
       "      <td>0.771110</td>\n",
       "      <td>0.641826</td>\n",
       "      <td>-0.002372</td>\n",
       "      <td>0.183222</td>\n",
       "      <td>56.32</td>\n",
       "      <td>0.13</td>\n",
       "      <td>1.41</td>\n",
       "      <td>10.17</td>\n",
       "      <td>0.26</td>\n",
       "      <td>30.88</td>\n",
       "      <td>1.05</td>\n",
       "      <td>0.02</td>\n",
       "      <td>0</td>\n",
       "      <td>0.16</td>\n",
       "      <td>4</td>\n",
       "      <td>1.971271</td>\n",
       "      <td>1.611274</td>\n",
       "      <td>0.297687</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.058165</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.007708</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.028729</td>\n",
       "      <td>0.029435</td>\n",
       "      <td>1.974693</td>\n",
       "      <td>0.826999</td>\n",
       "      <td>0.152790</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>3.994689</td>\n",
       "      <td>0.020211</td>\n",
       "      <td>0.001357</td>\n",
       "      <td>0.003423</td>\n",
       "      <td>0.004427</td>\n",
       "      <td>0.023651</td>\n",
       "      <td>0.039377</td>\n",
       "      <td>0.925110</td>\n",
       "      <td>0.777706</td>\n",
       "      <td>0.033103</td>\n",
       "      <td>0.844054</td>\n",
       "      <td>0.829605</td>\n",
       "      <td>1.063003</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.585107</td>\n",
       "      <td>0.208745</td>\n",
       "      <td>0.652532</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      T_K_calc  P_kbar_calc Equation Choice (T) Equation Choice (P)  \\\n",
       "0  1239.928820     2.187907          T_Brey1990      P_Put2008_eq38   \n",
       "1  1595.369041    16.535654          T_Brey1990      P_Put2008_eq38   \n",
       "2  1577.310529    14.450339          T_Brey1990      P_Put2008_eq38   \n",
       "3  1273.413868     2.380005          T_Brey1990      P_Put2008_eq38   \n",
       "4  1314.729086     4.099411          T_Brey1990      P_Put2008_eq38   \n",
       "\n",
       "   Delta Kd High T High T Kd Eq?  Delta Kd Low T Low T Kd Eq?  SiO2_Cpx  \\\n",
       "0         0.255316             N        0.134684            Y     52.30   \n",
       "1         0.006163             Y        0.383837            Y     51.70   \n",
       "2         0.047662             Y        0.437662            Y     51.50   \n",
       "3         0.060356             Y        0.450356            Y     51.06   \n",
       "4         0.026997             Y        0.363003            Y     53.32   \n",
       "\n",
       "   TiO2_Cpx  Al2O3_Cpx  FeOt_Cpx  MnO_Cpx  MgO_Cpx  CaO_Cpx  Na2O_Cpx  \\\n",
       "0      0.70       3.00      5.10     0.11    16.60    21.50      0.33   \n",
       "1      0.28       8.38      6.69     0.15    21.40    11.70      0.64   \n",
       "2      0.45       8.10      6.96     0.17    20.30    12.60      0.56   \n",
       "3      0.62       3.16      6.18     0.12    15.78    20.82      0.27   \n",
       "4      0.48       2.25      5.92     0.15    16.91    20.73      0.28   \n",
       "\n",
       "   K2O_Cpx  Cr2O3_Cpx  Sample_ID_Cpx  Si_Cpx_cat_6ox  Mg_Cpx_cat_6ox  \\\n",
       "0        0       0.58              0        1.912184        0.904784   \n",
       "1        0       0.05              1        1.830350        1.129447   \n",
       "2        0       0.09              2        1.835204        1.078405   \n",
       "3        0       0.01              3        1.914576        0.882079   \n",
       "4        0       0.12              4        1.947746        0.920861   \n",
       "\n",
       "   Fet_Cpx_cat_6ox  Ca_Cpx_cat_6ox  Al_Cpx_cat_6ox  Na_Cpx_cat_6ox  \\\n",
       "0         0.155939        0.842247        0.129273        0.023393   \n",
       "1         0.198073        0.443816        0.349659        0.043931   \n",
       "2         0.207416        0.481084        0.340188        0.038691   \n",
       "3         0.193792        0.836461        0.139648        0.019629   \n",
       "4         0.180851        0.811362        0.096868        0.019831   \n",
       "\n",
       "   K_Cpx_cat_6ox  Mn_Cpx_cat_6ox  Ti_Cpx_cat_6ox  Cr_Cpx_cat_6ox  \\\n",
       "0            0.0        0.003406        0.019251        0.016765   \n",
       "1            0.0        0.004498        0.007456        0.001399   \n",
       "2            0.0        0.005131        0.012062        0.002536   \n",
       "3            0.0        0.003811        0.017487        0.000296   \n",
       "4            0.0        0.004641        0.013189        0.003466   \n",
       "\n",
       "   oxy_renorm_factor  Al_IV_cat_6ox  Al_VI_cat_6ox  En_Simple_MgFeCa_Cpx  \\\n",
       "0                0.0       0.087816       0.041457              0.475459   \n",
       "1                0.0       0.169650       0.180009              0.637624   \n",
       "2                0.0       0.164796       0.175393              0.610336   \n",
       "3                0.0       0.085424       0.054224              0.461258   \n",
       "4                0.0       0.052254       0.044614              0.481352   \n",
       "\n",
       "   Fs_Simple_MgFeCa_Cpx  Wo_Simple_MgFeCa_Cpx  Cation_Sum_Cpx  Ca_CaMgFe  \\\n",
       "0              0.081945              0.442596        4.007242   0.442596   \n",
       "1              0.111821              0.250554        4.008630   0.250554   \n",
       "2              0.117390              0.272275        4.000717   0.272275   \n",
       "3              0.101338              0.437404        4.007780   0.437404   \n",
       "4              0.094534              0.424114        3.998814   0.424114   \n",
       "\n",
       "   Lindley_Fe3_Cpx  Lindley_Fe2_Cpx  Lindley_Fe3_Cpx_prop    CrCaTs  a_cpx_En  \\\n",
       "0         0.014485         0.141454              0.092887  0.008383  0.122977   \n",
       "1         0.017260         0.180814              0.087138  0.000700  0.411086   \n",
       "2         0.001435         0.205981              0.006917  0.001268  0.388642   \n",
       "3         0.015559         0.178233              0.080287  0.000148  0.132428   \n",
       "4         0.000000         0.180851              0.000000  0.001733  0.158665   \n",
       "\n",
       "   Mgno_Cpx        Jd  Jd_from 0=Na, 1=Al      CaTs      CaTi  DiHd_1996  \\\n",
       "0  0.852984  0.023393                   0  0.018064  0.034876   0.780925   \n",
       "1  0.850790  0.043931                   0  0.136078  0.016786   0.290252   \n",
       "2  0.838685  0.038691                   0  0.136701  0.014047   0.329068   \n",
       "3  0.819869  0.019629                   0  0.034595  0.025415   0.776303   \n",
       "4  0.835841  0.019831                   0  0.024783  0.013736   0.771110   \n",
       "\n",
       "       EnFs  DiHd_2003    Di_Cpx  FeIII_Wang21  FeII_Wang21  SiO2_Opx  \\\n",
       "0  0.139899   0.780925  0.663987      0.014485     0.141454     55.00   \n",
       "1  0.518634   0.290252  0.246111      0.017260     0.180814     52.70   \n",
       "2  0.478377   0.329068  0.274889      0.001435     0.205981     53.20   \n",
       "3  0.149784   0.776303  0.634224      0.015559     0.178233     55.15   \n",
       "4  0.165301   0.771110  0.641826     -0.002372     0.183222     56.32   \n",
       "\n",
       "   TiO2_Opx  Al2O3_Opx  FeOt_Opx  MnO_Opx  MgO_Opx  CaO_Opx  Na2O_Opx  \\\n",
       "0      0.34       1.50     11.30     0.24    30.70     0.90      0.01   \n",
       "1      0.15       8.10      8.48     0.14    29.40     2.14      0.14   \n",
       "2      0.20       7.40      8.80     0.13    29.20     2.37      0.14   \n",
       "3      0.17       1.19     10.21     0.22    29.99     1.66      0.03   \n",
       "4      0.13       1.41     10.17     0.26    30.88     1.05      0.02   \n",
       "\n",
       "   K2O_Opx  Cr2O3_Opx  Sample_ID_Opx  Si_Opx_cat_6ox  Mg_Opx_cat_6ox  \\\n",
       "0        0       0.19              0        1.943665        1.617356   \n",
       "1        0       0.00              1        1.823396        1.516444   \n",
       "2        0       0.02              2        1.839965        1.505530   \n",
       "3        0       0.15              3        1.968730        1.595973   \n",
       "4        0       0.16              4        1.971271        1.611274   \n",
       "\n",
       "   Fet_Opx_cat_6ox  Ca_Opx_cat_6ox  Al_Opx_cat_6ox  Na_Opx_cat_6ox  \\\n",
       "0         0.333959        0.034078        0.062475        0.000685   \n",
       "1         0.245370        0.079334        0.330303        0.009392   \n",
       "2         0.254529        0.087825        0.301638        0.009388   \n",
       "3         0.304805        0.063492        0.050066        0.002076   \n",
       "4         0.297687        0.039377        0.058165        0.001357   \n",
       "\n",
       "   K_Opx_cat_6ox  Mn_Opx_cat_6ox  Ti_Opx_cat_6ox  Cr_Opx_cat_6ox  \\\n",
       "0            0.0        0.007184        0.009038        0.005308   \n",
       "1            0.0        0.004103        0.003904        0.000000   \n",
       "2            0.0        0.003808        0.005203        0.000547   \n",
       "3            0.0        0.006652        0.004565        0.004233   \n",
       "4            0.0        0.007708        0.003423        0.004427   \n",
       "\n",
       "   oxy_renorm_factor_opx  Al_IV_Opx_cat_6ox  Al_VI_Opx_cat_6ox  \\\n",
       "0                    0.0           0.056335           0.006140   \n",
       "1                    0.0           0.176604           0.153699   \n",
       "2                    0.0           0.160035           0.141603   \n",
       "3                    0.0           0.031270           0.018796   \n",
       "4                    0.0           0.028729           0.029435   \n",
       "\n",
       "   Si_Ti_Opx_cat_6ox  En_Simple_MgFeCa_Opx  Fs_Simple_MgFeCa_Opx  \\\n",
       "0           1.952703              0.814628              0.168208   \n",
       "1           1.827300              0.823640              0.133270   \n",
       "2           1.845168              0.814732              0.137741   \n",
       "3           1.973295              0.812502              0.155175   \n",
       "4           1.974693              0.826999              0.152790   \n",
       "\n",
       "   Wo_Simple_MgFeCa_Opx  Cation_Sum_Opx  Ca_CaMgFe  NaAlSi2O6  FmTiAlSiO6  \\\n",
       "0              0.017164        4.013748   0.017164   0.000685    0.009038   \n",
       "1              0.043089        4.012245   0.043089   0.009392    0.003904   \n",
       "2              0.047527        4.008433   0.047527   0.009388    0.005203   \n",
       "3              0.032324        4.000594   0.032324   0.002076    0.004565   \n",
       "4              0.020211        3.994689   0.020211   0.001357    0.003423   \n",
       "\n",
       "   CrAl2SiO6  FmAl2SiO6  CaFmSi2O6  Fm2Si2O6    En_Opx    Di_Opx  Mgno_OPX  \\\n",
       "0   0.005308   0.000146   0.034078  0.957618  0.790815  0.028142  0.828850   \n",
       "1   0.000000   0.144307   0.079334  0.769186  0.660522  0.068126  0.860725   \n",
       "2   0.000547   0.131669   0.087825  0.769585  0.656871  0.074962  0.855382   \n",
       "3   0.004233   0.012486   0.063492  0.913443  0.764291  0.053125  0.839637   \n",
       "4   0.004427   0.023651   0.039377  0.925110  0.777706  0.033103  0.844054   \n",
       "\n",
       "         En  Kd_Fe_Mg_Cpx_Opx  Lindley_Fe3_Opx  a_Di_cpx        Kf  \\\n",
       "0  0.871733          0.834684         0.027496  0.604991  0.216022   \n",
       "1  0.678544          1.083837         0.024489  0.386810  0.142639   \n",
       "2  0.674378          1.137662         0.016867  0.412205  0.169248   \n",
       "3  0.812807          1.150356         0.001187  0.601746  0.388240   \n",
       "4  0.829605          1.063003         0.000000  0.585107  0.208745   \n",
       "\n",
       "   a_En_opx_mod  \n",
       "0      0.645067  \n",
       "1      0.569045  \n",
       "2      0.562463  \n",
       "3      0.636705  \n",
       "4      0.652532  "
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_TBray_P38=pt.calculate_cpx_opx_press_temp(opx_comps=Opxs, cpx_comps=Cpxs, equationP=\"P_Put2008_eq38\", equationT=\"T_Brey1990\", eq_tests=True)\n",
    "P_TBray_P38.head()\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Saving to excel\n",
    "- if at any point, you want to save one of these results to excel, simply do the following"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [],
   "source": [
    "P_T36_P39.to_excel('Cpx-Opx_outputs.xlsx')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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