docs/Examples/Amphibole/Amphibole_Thermobarometry_Chemometry.ipynb

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   "cell_type": "markdown",
   "id": "f14e6532-a513-46b1-a3f0-a2ca0d2ba1be",
   "metadata": {},
   "source": [
    "# Amphibole Thermobarometry and Chemometry\n",
    "- This workbook demonstrates how to use the various amphibole-only, and amphibole-liquid functions\n",
    "- You can download the excel spreadsheet with data here:\n",
    "https://github.com/PennyWieser/Thermobar/blob/main/docs/Examples/Amphibole/Amphibole_Liquids.xlsx"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4376a858-f0b6-4bbd-ab2e-987ff6a29d5b",
   "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,
   "id": "a4f28cf1-3896-4d8c-a3b2-f73ff98ca12d",
   "metadata": {},
   "outputs": [],
   "source": [
    "#!pip install Thermobar"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4c9a0348-3cc9-4c20-a608-358b57c93834",
   "metadata": {},
   "source": [
    "## Load python things"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "ab1e4ba2-d2d8-4082-bf81-b803d7c16fce",
   "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",
   "id": "ab04c6fa-e684-42c4-9997-e4f11c354f7e",
   "metadata": {},
   "source": [
    "## Load data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "833ae94f-687b-46c4-8f47-cd1c0d67a266",
   "metadata": {},
   "outputs": [],
   "source": [
    "out=pt.import_excel('Amphibole_Liquids.xlsx', sheet_name=\"Amp-Liq\")\n",
    "my_input=out['my_input']\n",
    "Amps=out['Amps']\n",
    "Liqs=out['Liqs']"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "cfe03415-e1b3-4c06-806f-d12cb98cf58d",
   "metadata": {},
   "source": [
    "## Checking data read in correctly (check no columns are full of zeros that you think you inputted)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "b0a41043-c300-4461-9329-4ff3e3982c43",
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       "      <th></th>\n",
       "      <th>SiO2_Amp</th>\n",
       "      <th>TiO2_Amp</th>\n",
       "      <th>Al2O3_Amp</th>\n",
       "      <th>FeOt_Amp</th>\n",
       "      <th>MnO_Amp</th>\n",
       "      <th>MgO_Amp</th>\n",
       "      <th>CaO_Amp</th>\n",
       "      <th>Na2O_Amp</th>\n",
       "      <th>K2O_Amp</th>\n",
       "      <th>Cr2O3_Amp</th>\n",
       "      <th>F_Amp</th>\n",
       "      <th>Cl_Amp</th>\n",
       "      <th>Sample_ID_Amp</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>40.57</td>\n",
       "      <td>2.45</td>\n",
       "      <td>12.82</td>\n",
       "      <td>13.11</td>\n",
       "      <td>0.26</td>\n",
       "      <td>13.02</td>\n",
       "      <td>11.63</td>\n",
       "      <td>2.20</td>\n",
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       "      <td>39.45</td>\n",
       "      <td>1.88</td>\n",
       "      <td>10.80</td>\n",
       "      <td>11.85</td>\n",
       "      <td>0.00</td>\n",
       "      <td>11.32</td>\n",
       "      <td>10.94</td>\n",
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       "      <td>42.88</td>\n",
       "      <td>3.46</td>\n",
       "      <td>14.28</td>\n",
       "      <td>15.99</td>\n",
       "      <td>0.54</td>\n",
       "      <td>14.25</td>\n",
       "      <td>12.12</td>\n",
       "      <td>2.43</td>\n",
       "      <td>1.18</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe3</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>42.20</td>\n",
       "      <td>2.75</td>\n",
       "      <td>11.10</td>\n",
       "      <td>13.10</td>\n",
       "      <td>0.39</td>\n",
       "      <td>13.55</td>\n",
       "      <td>11.07</td>\n",
       "      <td>2.27</td>\n",
       "      <td>0.95</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
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       "      <td>probe4</td>\n",
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       "      <td>40.37</td>\n",
       "      <td>2.28</td>\n",
       "      <td>10.06</td>\n",
       "      <td>11.76</td>\n",
       "      <td>0.19</td>\n",
       "      <td>12.41</td>\n",
       "      <td>10.40</td>\n",
       "      <td>2.09</td>\n",
       "      <td>0.82</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe5</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
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       "   SiO2_Amp  TiO2_Amp  Al2O3_Amp  FeOt_Amp  MnO_Amp  MgO_Amp  CaO_Amp  \\\n",
       "0     40.57      2.45      12.82     13.11     0.26    13.02    11.63   \n",
       "1     39.45      1.88      10.80     11.85     0.00    11.32    10.94   \n",
       "2     42.88      3.46      14.28     15.99     0.54    14.25    12.12   \n",
       "3     42.20      2.75      11.10     13.10     0.39    13.55    11.07   \n",
       "4     40.37      2.28      10.06     11.76     0.19    12.41    10.40   \n",
       "\n",
       "   Na2O_Amp  K2O_Amp  Cr2O3_Amp  F_Amp  Cl_Amp Sample_ID_Amp  \n",
       "0      2.20     0.92       0.00      0       0        probe1  \n",
       "1      2.04     0.75       0.00      0       0        probe2  \n",
       "2      2.43     1.18       0.03      0       0        probe3  \n",
       "3      2.27     0.95       0.01      0       0        probe4  \n",
       "4      2.09     0.82       0.00      0       0        probe5  "
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       "      <th>TiO2_Liq</th>\n",
       "      <th>Al2O3_Liq</th>\n",
       "      <th>FeOt_Liq</th>\n",
       "      <th>MnO_Liq</th>\n",
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       "      <th>K2O_Liq</th>\n",
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       "      <th>P2O5_Liq</th>\n",
       "      <th>H2O_Liq</th>\n",
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       "      <th>NiO_Liq</th>\n",
       "      <th>CoO_Liq</th>\n",
       "      <th>CO2_Liq</th>\n",
       "      <th>Sample_ID_Liq</th>\n",
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       "      <th>0</th>\n",
       "      <td>62.317403</td>\n",
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       "      <td>3.797226</td>\n",
       "      <td>4.118336</td>\n",
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       "      <td>1.681775</td>\n",
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       "    SiO2_Liq  TiO2_Liq  Al2O3_Liq  FeOt_Liq   MnO_Liq   MgO_Liq   CaO_Liq  \\\n",
       "0  62.317403  0.592583  17.015042  5.578974  0.147384  1.493784  5.199067   \n",
       "1  63.410655  0.567627  16.682223  5.211648  0.139473  1.343074  4.680291   \n",
       "2  64.978351  0.531840  16.204967  4.684912  0.128130  1.126960  3.936379   \n",
       "3  60.953715  0.623712  17.430191  6.037164  0.157251  1.681775  5.846172   \n",
       "4  60.188394  0.641183  17.663178  6.294307  0.162789  1.787278  6.209337   \n",
       "\n",
       "   Na2O_Liq   K2O_Liq  Cr2O3_Liq  P2O5_Liq  H2O_Liq  Fe3Fet_Liq  NiO_Liq  \\\n",
       "0  3.799517  3.840125          0  0.320967        5         0.0      0.0   \n",
       "1  3.797226  4.118336          0  0.320854        5         0.0      0.0   \n",
       "2  3.793940  4.517285          0  0.320691        5         0.0      0.0   \n",
       "3  3.802375  3.493093          0  0.321109        5         0.0      0.0   \n",
       "4  3.803979  3.298333          0  0.321189        5         0.0      0.0   \n",
       "\n",
       "   CoO_Liq  CO2_Liq Sample_ID_Liq  \n",
       "0      0.0      0.0    probe_s2_1  \n",
       "1      0.0      0.0    probe_s2_2  \n",
       "2      0.0      0.0    probe_s2_3  \n",
       "3      0.0      0.0    probe_s2_4  \n",
       "4      0.0      0.0    probe_s2_5  "
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   ],
   "source": [
    "display(Amps.head())\n",
    "display(Liqs.head())"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f0e72ca0-74be-4d31-a238-03096df72a74",
   "metadata": {},
   "source": [
    "## Example 1 - Amphibole-only pressure\n",
    "- can use help functions to see equation options"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "f5a8b891-670f-4232-b6d4-970798ada276",
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   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Help on function calculate_amp_only_press in module Thermobar.amphibole:\n",
      "\n",
      "calculate_amp_only_press(amp_comps=None, equationP=None, T=None, deltaNNO=None, classification=False, Ridolfi_Filter=True)\n",
      "    Amphibole-only barometry, returns pressure in kbar.\n",
      "    \n",
      "    Parameters\n",
      "    -----------\n",
      "    \n",
      "    amp_comps: pandas.DataFrame\n",
      "        Amphibole compositions with column headings SiO2_Amp, MgO_Amp etc.\n",
      "    \n",
      "    \n",
      "    EquationP: str\n",
      "        | P_Mutch2016 (T-independent)\n",
      "        | P_Ridolfi2012_1a (T-independent)\n",
      "        | P_Ridolfi2012_1b (T-independent)\n",
      "        | P_Ridolfi2012_1c (T-independent)\n",
      "        | P_Ridolfi2012_1d (T-independent)\n",
      "        | P_Ridolfi2012_1e (T-independent)\n",
      "        | P_Ridolfi2021 - (T-independent)- Uses new algorithm in 2021 paper to\n",
      "        select pressures from equations 1a-e.\n",
      "        | P_Medard2022. Choose how you want the sites calculated:\n",
      "            P_Medard2022_RidolfiSites, LeakeSites, MutchSites\n",
      "    \n",
      "        | P_Ridolfi2010  (T-independent)\n",
      "        | P_Hammarstrom1986_eq1  (T-independent)\n",
      "        | P_Hammarstrom1986_eq2 (T-independent)\n",
      "        | P_Hammarstrom1986_eq3 (T-independent)\n",
      "        | P_Hollister1987 (T-independent)\n",
      "        | P_Johnson1989 (T-independent)\n",
      "        | P_Blundy1990 (T-independent)\n",
      "        | P_Schmidt1992 (T-independent)\n",
      "        | P_Anderson1995 (*T-dependent*)\n",
      "    \n",
      "    T: float, int, pandas.Series, str  (\"Solve\")\n",
      "        Temperature in Kelvin\n",
      "        Only needed for T-sensitive barometers.\n",
      "        If enter T=\"Solve\", returns a partial function\n",
      "        Else, enter an integer, float, or panda series\n",
      "    \n",
      "    Returns\n",
      "    -------\n",
      "    pandas series\n",
      "       Pressure in kbar\n",
      "\n"
     ]
    }
   ],
   "source": [
    "help(pt.calculate_amp_only_press)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e3000341-a48b-4eb0-93d4-ae26ab84ac67",
   "metadata": {},
   "source": [
    "### Ridolfi 2021 - Minerals algorithm\n",
    "- here, we specify equationP=\"P_Ridolfi2021\", which combines equations 1a-1e from Ridolfi 2012 and chooses the \"correct\" equation using a number of filters (see Ridolfi 2021, Minerals)\n",
    "- The output dataframe shows the calulated pressure, as well as the equation selected\n",
    "- The code also prints a warning that some of the rows have oxide sums <90, so a Nan is returned for these following Ridolfi 2021 supplement"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "8ca0733c-9cbd-4004-a609-f7f26642e719",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n"
     ]
    },
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       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>Input_Check</th>\n",
       "      <th>Fail Msg</th>\n",
       "      <th>classification</th>\n",
       "      <th>equation</th>\n",
       "      <th>H2O_calc</th>\n",
       "      <th>Fe2O3_calc</th>\n",
       "      <th>FeO_calc</th>\n",
       "      <th>Total_recalc</th>\n",
       "      <th>Sum_input</th>\n",
       "      <th>SiO2_Amp_cat_prop</th>\n",
       "      <th>MgO_Amp_cat_prop</th>\n",
       "      <th>FeOt_Amp_cat_prop</th>\n",
       "      <th>CaO_Amp_cat_prop</th>\n",
       "      <th>Al2O3_Amp_cat_prop</th>\n",
       "      <th>Na2O_Amp_cat_prop</th>\n",
       "      <th>K2O_Amp_cat_prop</th>\n",
       "      <th>MnO_Amp_cat_prop</th>\n",
       "      <th>TiO2_Amp_cat_prop</th>\n",
       "      <th>Cr2O3_Amp_cat_prop</th>\n",
       "      <th>F_Amp_cat_prop</th>\n",
       "      <th>Cl_Amp_cat_prop</th>\n",
       "      <th>Si_Amp_13_cat</th>\n",
       "      <th>Mg_Amp_13_cat</th>\n",
       "      <th>Fet_Amp_13_cat</th>\n",
       "      <th>Ca_Amp_13_cat</th>\n",
       "      <th>Al_Amp_13_cat</th>\n",
       "      <th>Na_Amp_13_cat</th>\n",
       "      <th>K_Amp_13_cat</th>\n",
       "      <th>Mn_Amp_13_cat</th>\n",
       "      <th>Ti_Amp_13_cat</th>\n",
       "      <th>Cr_Amp_13_cat</th>\n",
       "      <th>F_Amp_13_cat</th>\n",
       "      <th>Cl_Amp_13_cat</th>\n",
       "      <th>cation_sum_Si_Mg</th>\n",
       "      <th>Si_T</th>\n",
       "      <th>Al_IV_T</th>\n",
       "      <th>Ti_T</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Fe3_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe2_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Al_VI_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Charge</th>\n",
       "      <th>Fe3_calc</th>\n",
       "      <th>Fe2_calc</th>\n",
       "      <th>O=F,Cl</th>\n",
       "      <th>Total</th>\n",
       "      <th>Mgno_Fe2</th>\n",
       "      <th>Mgno_FeT</th>\n",
       "      <th>Na_calc</th>\n",
       "      <th>B_Sum</th>\n",
       "      <th>A_Sum</th>\n",
       "      <th>class</th>\n",
       "      <th>APE</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>4.572174</td>\n",
       "      <td>True</td>\n",
       "      <td></td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>(1b+1c)/2</td>\n",
       "      <td>1.917780</td>\n",
       "      <td>7.000433</td>\n",
       "      <td>6.810921</td>\n",
       "      <td>99.599134</td>\n",
       "      <td>96.98</td>\n",
       "      <td>0.675221</td>\n",
       "      <td>0.323045</td>\n",
       "      <td>0.182474</td>\n",
       "      <td>0.207386</td>\n",
       "      <td>0.251469</td>\n",
       "      <td>0.070992</td>\n",
       "      <td>0.019534</td>\n",
       "      <td>0.003665</td>\n",
       "      <td>0.030664</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>5.985442</td>\n",
       "      <td>2.863604</td>\n",
       "      <td>1.617522</td>\n",
       "      <td>1.838356</td>\n",
       "      <td>2.229123</td>\n",
       "      <td>0.629301</td>\n",
       "      <td>0.173157</td>\n",
       "      <td>0.032490</td>\n",
       "      <td>0.271819</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.466538</td>\n",
       "      <td>5.985442</td>\n",
       "      <td>2.014558</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.777185</td>\n",
       "      <td>2.863604</td>\n",
       "      <td>0.840337</td>\n",
       "      <td>0.032490</td>\n",
       "      <td>1.838356</td>\n",
       "      <td>0.161644</td>\n",
       "      <td>0.467656</td>\n",
       "      <td>0.173157</td>\n",
       "      <td>0.214565</td>\n",
       "      <td>0.271819</td>\n",
       "      <td>45.222815</td>\n",
       "      <td>0.777185</td>\n",
       "      <td>0.840337</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.773124</td>\n",
       "      <td>0.639037</td>\n",
       "      <td>0.161644</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.640813</td>\n",
       "      <td>N/A</td>\n",
       "      <td>28.333126</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>Recalc Total&lt;98.5</td>\n",
       "      <td>Pargasite</td>\n",
       "      <td>1b</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>10.836615</td>\n",
       "      <td>88.016615</td>\n",
       "      <td>89.03</td>\n",
       "      <td>0.656581</td>\n",
       "      <td>0.280865</td>\n",
       "      <td>0.164936</td>\n",
       "      <td>0.195082</td>\n",
       "      <td>0.211846</td>\n",
       "      <td>0.065829</td>\n",
       "      <td>0.015924</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.023530</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>6.380489</td>\n",
       "      <td>2.729380</td>\n",
       "      <td>1.602808</td>\n",
       "      <td>1.895758</td>\n",
       "      <td>2.058664</td>\n",
       "      <td>0.639707</td>\n",
       "      <td>0.154749</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.228659</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.337758</td>\n",
       "      <td>6.380489</td>\n",
       "      <td>1.619511</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.137068</td>\n",
       "      <td>2.729380</td>\n",
       "      <td>1.465740</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.895758</td>\n",
       "      <td>0.104242</td>\n",
       "      <td>0.535465</td>\n",
       "      <td>0.154749</td>\n",
       "      <td>0.439153</td>\n",
       "      <td>0.228659</td>\n",
       "      <td>45.862932</td>\n",
       "      <td>0.137068</td>\n",
       "      <td>1.465740</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.650608</td>\n",
       "      <td>0.630023</td>\n",
       "      <td>0.104242</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.690215</td>\n",
       "      <td>N/A</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>Recalc Total&gt;102</td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>1c+1d</td>\n",
       "      <td>2.120043</td>\n",
       "      <td>13.095088</td>\n",
       "      <td>4.206872</td>\n",
       "      <td>110.592004</td>\n",
       "      <td>107.16</td>\n",
       "      <td>0.713668</td>\n",
       "      <td>0.353563</td>\n",
       "      <td>0.222559</td>\n",
       "      <td>0.216124</td>\n",
       "      <td>0.280107</td>\n",
       "      <td>0.078414</td>\n",
       "      <td>0.025054</td>\n",
       "      <td>0.007612</td>\n",
       "      <td>0.043305</td>\n",
       "      <td>0.000395</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>5.722690</td>\n",
       "      <td>2.835117</td>\n",
       "      <td>1.784638</td>\n",
       "      <td>1.733032</td>\n",
       "      <td>2.246096</td>\n",
       "      <td>0.628776</td>\n",
       "      <td>0.200904</td>\n",
       "      <td>0.061042</td>\n",
       "      <td>0.347252</td>\n",
       "      <td>0.003165</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.621209</td>\n",
       "      <td>5.722690</td>\n",
       "      <td>2.246096</td>\n",
       "      <td>0.031214</td>\n",
       "      <td>0.003165</td>\n",
       "      <td>1.315111</td>\n",
       "      <td>2.835117</td>\n",
       "      <td>0.469527</td>\n",
       "      <td>0.061042</td>\n",
       "      <td>1.733032</td>\n",
       "      <td>0.266968</td>\n",
       "      <td>0.361808</td>\n",
       "      <td>0.200904</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.316038</td>\n",
       "      <td>44.684889</td>\n",
       "      <td>1.315111</td>\n",
       "      <td>0.469527</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.857919</td>\n",
       "      <td>0.613694</td>\n",
       "      <td>0.266968</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.562712</td>\n",
       "      <td>N/A</td>\n",
       "      <td>53.674852</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>APE &gt;60</td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>1b</td>\n",
       "      <td>1.933630</td>\n",
       "      <td>7.604246</td>\n",
       "      <td>6.257602</td>\n",
       "      <td>100.085478</td>\n",
       "      <td>97.39</td>\n",
       "      <td>0.702350</td>\n",
       "      <td>0.336195</td>\n",
       "      <td>0.182334</td>\n",
       "      <td>0.197400</td>\n",
       "      <td>0.217730</td>\n",
       "      <td>0.073251</td>\n",
       "      <td>0.020171</td>\n",
       "      <td>0.005498</td>\n",
       "      <td>0.034419</td>\n",
       "      <td>0.000132</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>6.174890</td>\n",
       "      <td>2.955744</td>\n",
       "      <td>1.603040</td>\n",
       "      <td>1.735493</td>\n",
       "      <td>1.914232</td>\n",
       "      <td>0.644002</td>\n",
       "      <td>0.177338</td>\n",
       "      <td>0.048336</td>\n",
       "      <td>0.302602</td>\n",
       "      <td>0.001157</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.478658</td>\n",
       "      <td>6.174890</td>\n",
       "      <td>1.825110</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.001157</td>\n",
       "      <td>0.837300</td>\n",
       "      <td>2.955744</td>\n",
       "      <td>0.765739</td>\n",
       "      <td>0.048336</td>\n",
       "      <td>1.735493</td>\n",
       "      <td>0.264507</td>\n",
       "      <td>0.379495</td>\n",
       "      <td>0.177338</td>\n",
       "      <td>0.089122</td>\n",
       "      <td>0.302602</td>\n",
       "      <td>45.162700</td>\n",
       "      <td>0.837300</td>\n",
       "      <td>0.765739</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.794238</td>\n",
       "      <td>0.648362</td>\n",
       "      <td>0.264507</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.556833</td>\n",
       "      <td>N/A</td>\n",
       "      <td>60.173092</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>Recalc Total&lt;98.5</td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>1b</td>\n",
       "      <td>1.794195</td>\n",
       "      <td>4.540852</td>\n",
       "      <td>7.674083</td>\n",
       "      <td>92.629130</td>\n",
       "      <td>90.38</td>\n",
       "      <td>0.671893</td>\n",
       "      <td>0.307910</td>\n",
       "      <td>0.163683</td>\n",
       "      <td>0.185453</td>\n",
       "      <td>0.197330</td>\n",
       "      <td>0.067442</td>\n",
       "      <td>0.017411</td>\n",
       "      <td>0.002678</td>\n",
       "      <td>0.028536</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>6.366185</td>\n",
       "      <td>2.917447</td>\n",
       "      <td>1.550901</td>\n",
       "      <td>1.757165</td>\n",
       "      <td>1.869706</td>\n",
       "      <td>0.639015</td>\n",
       "      <td>0.164966</td>\n",
       "      <td>0.025378</td>\n",
       "      <td>0.270382</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.372031</td>\n",
       "      <td>6.366185</td>\n",
       "      <td>1.633815</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.538848</td>\n",
       "      <td>2.917447</td>\n",
       "      <td>1.012053</td>\n",
       "      <td>0.025378</td>\n",
       "      <td>1.757165</td>\n",
       "      <td>0.242835</td>\n",
       "      <td>0.396180</td>\n",
       "      <td>0.164966</td>\n",
       "      <td>0.235891</td>\n",
       "      <td>0.270382</td>\n",
       "      <td>45.461152</td>\n",
       "      <td>0.538848</td>\n",
       "      <td>1.012053</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.742447</td>\n",
       "      <td>0.652914</td>\n",
       "      <td>0.242835</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.561146</td>\n",
       "      <td>N/A</td>\n",
       "      <td>36.692839</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc  Input_Check           Fail Msg  classification   equation  \\\n",
       "0     4.572174         True                     Mg-hastingsite  (1b+1c)/2   \n",
       "1          NaN        False  Recalc Total<98.5       Pargasite         1b   \n",
       "2          NaN        False   Recalc Total>102  Mg-hastingsite      1c+1d   \n",
       "3          NaN        False            APE >60  Mg-hastingsite         1b   \n",
       "4          NaN        False  Recalc Total<98.5  Mg-hastingsite         1b   \n",
       "\n",
       "   H2O_calc  Fe2O3_calc   FeO_calc  Total_recalc  Sum_input  \\\n",
       "0  1.917780    7.000433   6.810921     99.599134      96.98   \n",
       "1  0.000000    0.000000  10.836615     88.016615      89.03   \n",
       "2  2.120043   13.095088   4.206872    110.592004     107.16   \n",
       "3  1.933630    7.604246   6.257602    100.085478      97.39   \n",
       "4  1.794195    4.540852   7.674083     92.629130      90.38   \n",
       "\n",
       "   SiO2_Amp_cat_prop  MgO_Amp_cat_prop  FeOt_Amp_cat_prop  CaO_Amp_cat_prop  \\\n",
       "0           0.675221          0.323045           0.182474          0.207386   \n",
       "1           0.656581          0.280865           0.164936          0.195082   \n",
       "2           0.713668          0.353563           0.222559          0.216124   \n",
       "3           0.702350          0.336195           0.182334          0.197400   \n",
       "4           0.671893          0.307910           0.163683          0.185453   \n",
       "\n",
       "   Al2O3_Amp_cat_prop  Na2O_Amp_cat_prop  K2O_Amp_cat_prop  MnO_Amp_cat_prop  \\\n",
       "0            0.251469           0.070992          0.019534          0.003665   \n",
       "1            0.211846           0.065829          0.015924          0.000000   \n",
       "2            0.280107           0.078414          0.025054          0.007612   \n",
       "3            0.217730           0.073251          0.020171          0.005498   \n",
       "4            0.197330           0.067442          0.017411          0.002678   \n",
       "\n",
       "   TiO2_Amp_cat_prop  Cr2O3_Amp_cat_prop  F_Amp_cat_prop  Cl_Amp_cat_prop  \\\n",
       "0           0.030664            0.000000             0.0              0.0   \n",
       "1           0.023530            0.000000             0.0              0.0   \n",
       "2           0.043305            0.000395             0.0              0.0   \n",
       "3           0.034419            0.000132             0.0              0.0   \n",
       "4           0.028536            0.000000             0.0              0.0   \n",
       "\n",
       "   Si_Amp_13_cat  Mg_Amp_13_cat  Fet_Amp_13_cat  Ca_Amp_13_cat  Al_Amp_13_cat  \\\n",
       "0       5.985442       2.863604        1.617522       1.838356       2.229123   \n",
       "1       6.380489       2.729380        1.602808       1.895758       2.058664   \n",
       "2       5.722690       2.835117        1.784638       1.733032       2.246096   \n",
       "3       6.174890       2.955744        1.603040       1.735493       1.914232   \n",
       "4       6.366185       2.917447        1.550901       1.757165       1.869706   \n",
       "\n",
       "   Na_Amp_13_cat  K_Amp_13_cat  Mn_Amp_13_cat  Ti_Amp_13_cat  Cr_Amp_13_cat  \\\n",
       "0       0.629301      0.173157       0.032490       0.271819       0.000000   \n",
       "1       0.639707      0.154749       0.000000       0.228659       0.000000   \n",
       "2       0.628776      0.200904       0.061042       0.347252       0.003165   \n",
       "3       0.644002      0.177338       0.048336       0.302602       0.001157   \n",
       "4       0.639015      0.164966       0.025378       0.270382       0.000000   \n",
       "\n",
       "   F_Amp_13_cat  Cl_Amp_13_cat  cation_sum_Si_Mg      Si_T   Al_IV_T  \\\n",
       "0           0.0            0.0          1.466538  5.985442  2.014558   \n",
       "1           0.0            0.0          1.337758  6.380489  1.619511   \n",
       "2           0.0            0.0          1.621209  5.722690  2.246096   \n",
       "3           0.0            0.0          1.478658  6.174890  1.825110   \n",
       "4           0.0            0.0          1.372031  6.366185  1.633815   \n",
       "\n",
       "       Ti_T      Cr_C     Fe3_C      Mg_C     Fe2_C      Mn_C      Ca_B  \\\n",
       "0  0.000000  0.000000  0.777185  2.863604  0.840337  0.032490  1.838356   \n",
       "1  0.000000  0.000000  0.137068  2.729380  1.465740  0.000000  1.895758   \n",
       "2  0.031214  0.003165  1.315111  2.835117  0.469527  0.061042  1.733032   \n",
       "3  0.000000  0.001157  0.837300  2.955744  0.765739  0.048336  1.735493   \n",
       "4  0.000000  0.000000  0.538848  2.917447  1.012053  0.025378  1.757165   \n",
       "\n",
       "       Na_B      Na_A       K_A   Al_VI_C      Ti_C     Charge  Fe3_calc  \\\n",
       "0  0.161644  0.467656  0.173157  0.214565  0.271819  45.222815  0.777185   \n",
       "1  0.104242  0.535465  0.154749  0.439153  0.228659  45.862932  0.137068   \n",
       "2  0.266968  0.361808  0.200904  0.000000  0.316038  44.684889  1.315111   \n",
       "3  0.264507  0.379495  0.177338  0.089122  0.302602  45.162700  0.837300   \n",
       "4  0.242835  0.396180  0.164966  0.235891  0.270382  45.461152  0.538848   \n",
       "\n",
       "   Fe2_calc  O=F,Cl  Total  Mgno_Fe2  Mgno_FeT   Na_calc  B_Sum     A_Sum  \\\n",
       "0  0.840337    -0.0    NaN  0.773124  0.639037  0.161644    2.0  0.640813   \n",
       "1  1.465740     0.0    0.0  0.650608  0.630023  0.104242    2.0  0.690215   \n",
       "2  0.469527    -0.0    NaN  0.857919  0.613694  0.266968    2.0  0.562712   \n",
       "3  0.765739    -0.0    NaN  0.794238  0.648362  0.264507    2.0  0.556833   \n",
       "4  1.012053    -0.0    NaN  0.742447  0.652914  0.242835    2.0  0.561146   \n",
       "\n",
       "  class        APE  \n",
       "0   N/A  28.333126  \n",
       "1   N/A        NaN  \n",
       "2   N/A  53.674852  \n",
       "3   N/A  60.173092  \n",
       "4   N/A  36.692839  "
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Ridolfi2021=pt.calculate_amp_only_press(amp_comps=Amps, equationP=\"P_Ridolfi2021\")\n",
    "P_Ridolfi2021.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "083c5650-d087-4b91-8e00-c940338b5077",
   "metadata": {},
   "source": [
    "#### Without quality filters\n",
    "- If you want to use the pressures which yield \"input errors\", you can specify \"Ridolfi_Filter=False\"\n",
    "- This is more for looking at what ones it has discarded, we don't necessarily recomend this, we just have it as a feature you can use at your peril. "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "effba148-b577-4ef1-b481-0f7d56cb12f3",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n"
     ]
    },
    {
     "data": {
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       "</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>Input_Check</th>\n",
       "      <th>Fail Msg</th>\n",
       "      <th>classification</th>\n",
       "      <th>equation</th>\n",
       "      <th>H2O_calc</th>\n",
       "      <th>Fe2O3_calc</th>\n",
       "      <th>FeO_calc</th>\n",
       "      <th>Total_recalc</th>\n",
       "      <th>Sum_input</th>\n",
       "      <th>SiO2_Amp_cat_prop</th>\n",
       "      <th>MgO_Amp_cat_prop</th>\n",
       "      <th>FeOt_Amp_cat_prop</th>\n",
       "      <th>CaO_Amp_cat_prop</th>\n",
       "      <th>Al2O3_Amp_cat_prop</th>\n",
       "      <th>Na2O_Amp_cat_prop</th>\n",
       "      <th>K2O_Amp_cat_prop</th>\n",
       "      <th>MnO_Amp_cat_prop</th>\n",
       "      <th>TiO2_Amp_cat_prop</th>\n",
       "      <th>Cr2O3_Amp_cat_prop</th>\n",
       "      <th>F_Amp_cat_prop</th>\n",
       "      <th>Cl_Amp_cat_prop</th>\n",
       "      <th>Si_Amp_13_cat</th>\n",
       "      <th>Mg_Amp_13_cat</th>\n",
       "      <th>Fet_Amp_13_cat</th>\n",
       "      <th>Ca_Amp_13_cat</th>\n",
       "      <th>Al_Amp_13_cat</th>\n",
       "      <th>Na_Amp_13_cat</th>\n",
       "      <th>K_Amp_13_cat</th>\n",
       "      <th>Mn_Amp_13_cat</th>\n",
       "      <th>Ti_Amp_13_cat</th>\n",
       "      <th>Cr_Amp_13_cat</th>\n",
       "      <th>F_Amp_13_cat</th>\n",
       "      <th>Cl_Amp_13_cat</th>\n",
       "      <th>cation_sum_Si_Mg</th>\n",
       "      <th>Si_T</th>\n",
       "      <th>Al_IV_T</th>\n",
       "      <th>Ti_T</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Fe3_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe2_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Al_VI_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Charge</th>\n",
       "      <th>Fe3_calc</th>\n",
       "      <th>Fe2_calc</th>\n",
       "      <th>O=F,Cl</th>\n",
       "      <th>Total</th>\n",
       "      <th>Mgno_Fe2</th>\n",
       "      <th>Mgno_FeT</th>\n",
       "      <th>Na_calc</th>\n",
       "      <th>B_Sum</th>\n",
       "      <th>A_Sum</th>\n",
       "      <th>class</th>\n",
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       "      <th>0</th>\n",
       "      <td>4.572174</td>\n",
       "      <td>True</td>\n",
       "      <td></td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>(1b+1c)/2</td>\n",
       "      <td>1.917780</td>\n",
       "      <td>7.000433</td>\n",
       "      <td>6.810921</td>\n",
       "      <td>99.599134</td>\n",
       "      <td>96.98</td>\n",
       "      <td>0.675221</td>\n",
       "      <td>0.323045</td>\n",
       "      <td>0.182474</td>\n",
       "      <td>0.207386</td>\n",
       "      <td>0.251469</td>\n",
       "      <td>0.070992</td>\n",
       "      <td>0.019534</td>\n",
       "      <td>0.003665</td>\n",
       "      <td>0.030664</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>5.985442</td>\n",
       "      <td>2.863604</td>\n",
       "      <td>1.617522</td>\n",
       "      <td>1.838356</td>\n",
       "      <td>2.229123</td>\n",
       "      <td>0.629301</td>\n",
       "      <td>0.173157</td>\n",
       "      <td>0.032490</td>\n",
       "      <td>0.271819</td>\n",
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       "      <td>0.0</td>\n",
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       "      <td>1.838356</td>\n",
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       "      <td>0.271819</td>\n",
       "      <td>45.222815</td>\n",
       "      <td>0.777185</td>\n",
       "      <td>0.840337</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.773124</td>\n",
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       "      <td>0.161644</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.640813</td>\n",
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       "      <th>1</th>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
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       "      <td>Pargasite</td>\n",
       "      <td>1b</td>\n",
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       "      <td>0.535465</td>\n",
       "      <td>0.154749</td>\n",
       "      <td>0.439153</td>\n",
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       "      <td>45.862932</td>\n",
       "      <td>0.137068</td>\n",
       "      <td>1.465740</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.104242</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.690215</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>6.203253</td>\n",
       "      <td>False</td>\n",
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       "      <td>Mg-hastingsite</td>\n",
       "      <td>1c+1d</td>\n",
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       "      <td>0.007612</td>\n",
       "      <td>0.043305</td>\n",
       "      <td>0.000395</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.200904</td>\n",
       "      <td>0.061042</td>\n",
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       "      <td>0.0</td>\n",
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       "      <td>1.315111</td>\n",
       "      <td>2.835117</td>\n",
       "      <td>0.469527</td>\n",
       "      <td>0.061042</td>\n",
       "      <td>1.733032</td>\n",
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       "      <td>0.361808</td>\n",
       "      <td>0.200904</td>\n",
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       "      <td>0.316038</td>\n",
       "      <td>44.684889</td>\n",
       "      <td>1.315111</td>\n",
       "      <td>0.469527</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.857919</td>\n",
       "      <td>0.613694</td>\n",
       "      <td>0.266968</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.562712</td>\n",
       "      <td>N/A</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>3.228704</td>\n",
       "      <td>False</td>\n",
       "      <td>APE &gt;60</td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>1b</td>\n",
       "      <td>1.933630</td>\n",
       "      <td>7.604246</td>\n",
       "      <td>6.257602</td>\n",
       "      <td>100.085478</td>\n",
       "      <td>97.39</td>\n",
       "      <td>0.702350</td>\n",
       "      <td>0.336195</td>\n",
       "      <td>0.182334</td>\n",
       "      <td>0.197400</td>\n",
       "      <td>0.217730</td>\n",
       "      <td>0.073251</td>\n",
       "      <td>0.020171</td>\n",
       "      <td>0.005498</td>\n",
       "      <td>0.034419</td>\n",
       "      <td>0.000132</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>6.174890</td>\n",
       "      <td>2.955744</td>\n",
       "      <td>1.603040</td>\n",
       "      <td>1.735493</td>\n",
       "      <td>1.914232</td>\n",
       "      <td>0.644002</td>\n",
       "      <td>0.177338</td>\n",
       "      <td>0.048336</td>\n",
       "      <td>0.302602</td>\n",
       "      <td>0.001157</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.000000</td>\n",
       "      <td>0.001157</td>\n",
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       "      <td>2.955744</td>\n",
       "      <td>0.765739</td>\n",
       "      <td>0.048336</td>\n",
       "      <td>1.735493</td>\n",
       "      <td>0.264507</td>\n",
       "      <td>0.379495</td>\n",
       "      <td>0.177338</td>\n",
       "      <td>0.089122</td>\n",
       "      <td>0.302602</td>\n",
       "      <td>45.162700</td>\n",
       "      <td>0.837300</td>\n",
       "      <td>0.765739</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
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       "      <td>0.648362</td>\n",
       "      <td>0.264507</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.556833</td>\n",
       "      <td>N/A</td>\n",
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       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>2.761702</td>\n",
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       "      <td>1.757165</td>\n",
       "      <td>0.242835</td>\n",
       "      <td>0.396180</td>\n",
       "      <td>0.164966</td>\n",
       "      <td>0.235891</td>\n",
       "      <td>0.270382</td>\n",
       "      <td>45.461152</td>\n",
       "      <td>0.538848</td>\n",
       "      <td>1.012053</td>\n",
       "      <td>-0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.742447</td>\n",
       "      <td>0.652914</td>\n",
       "      <td>0.242835</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.561146</td>\n",
       "      <td>N/A</td>\n",
       "      <td>36.692839</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc  Input_Check           Fail Msg  classification   equation  \\\n",
       "0     4.572174         True                     Mg-hastingsite  (1b+1c)/2   \n",
       "1          NaN        False  Recalc Total<98.5       Pargasite         1b   \n",
       "2     6.203253        False   Recalc Total>102  Mg-hastingsite      1c+1d   \n",
       "3     3.228704        False            APE >60  Mg-hastingsite         1b   \n",
       "4     2.761702        False  Recalc Total<98.5  Mg-hastingsite         1b   \n",
       "\n",
       "   H2O_calc  Fe2O3_calc   FeO_calc  Total_recalc  Sum_input  \\\n",
       "0  1.917780    7.000433   6.810921     99.599134      96.98   \n",
       "1  0.000000    0.000000  10.836615     88.016615      89.03   \n",
       "2  2.120043   13.095088   4.206872    110.592004     107.16   \n",
       "3  1.933630    7.604246   6.257602    100.085478      97.39   \n",
       "4  1.794195    4.540852   7.674083     92.629130      90.38   \n",
       "\n",
       "   SiO2_Amp_cat_prop  MgO_Amp_cat_prop  FeOt_Amp_cat_prop  CaO_Amp_cat_prop  \\\n",
       "0           0.675221          0.323045           0.182474          0.207386   \n",
       "1           0.656581          0.280865           0.164936          0.195082   \n",
       "2           0.713668          0.353563           0.222559          0.216124   \n",
       "3           0.702350          0.336195           0.182334          0.197400   \n",
       "4           0.671893          0.307910           0.163683          0.185453   \n",
       "\n",
       "   Al2O3_Amp_cat_prop  Na2O_Amp_cat_prop  K2O_Amp_cat_prop  MnO_Amp_cat_prop  \\\n",
       "0            0.251469           0.070992          0.019534          0.003665   \n",
       "1            0.211846           0.065829          0.015924          0.000000   \n",
       "2            0.280107           0.078414          0.025054          0.007612   \n",
       "3            0.217730           0.073251          0.020171          0.005498   \n",
       "4            0.197330           0.067442          0.017411          0.002678   \n",
       "\n",
       "   TiO2_Amp_cat_prop  Cr2O3_Amp_cat_prop  F_Amp_cat_prop  Cl_Amp_cat_prop  \\\n",
       "0           0.030664            0.000000             0.0              0.0   \n",
       "1           0.023530            0.000000             0.0              0.0   \n",
       "2           0.043305            0.000395             0.0              0.0   \n",
       "3           0.034419            0.000132             0.0              0.0   \n",
       "4           0.028536            0.000000             0.0              0.0   \n",
       "\n",
       "   Si_Amp_13_cat  Mg_Amp_13_cat  Fet_Amp_13_cat  Ca_Amp_13_cat  Al_Amp_13_cat  \\\n",
       "0       5.985442       2.863604        1.617522       1.838356       2.229123   \n",
       "1       6.380489       2.729380        1.602808       1.895758       2.058664   \n",
       "2       5.722690       2.835117        1.784638       1.733032       2.246096   \n",
       "3       6.174890       2.955744        1.603040       1.735493       1.914232   \n",
       "4       6.366185       2.917447        1.550901       1.757165       1.869706   \n",
       "\n",
       "   Na_Amp_13_cat  K_Amp_13_cat  Mn_Amp_13_cat  Ti_Amp_13_cat  Cr_Amp_13_cat  \\\n",
       "0       0.629301      0.173157       0.032490       0.271819       0.000000   \n",
       "1       0.639707      0.154749       0.000000       0.228659       0.000000   \n",
       "2       0.628776      0.200904       0.061042       0.347252       0.003165   \n",
       "3       0.644002      0.177338       0.048336       0.302602       0.001157   \n",
       "4       0.639015      0.164966       0.025378       0.270382       0.000000   \n",
       "\n",
       "   F_Amp_13_cat  Cl_Amp_13_cat  cation_sum_Si_Mg      Si_T   Al_IV_T  \\\n",
       "0           0.0            0.0          1.466538  5.985442  2.014558   \n",
       "1           0.0            0.0          1.337758  6.380489  1.619511   \n",
       "2           0.0            0.0          1.621209  5.722690  2.246096   \n",
       "3           0.0            0.0          1.478658  6.174890  1.825110   \n",
       "4           0.0            0.0          1.372031  6.366185  1.633815   \n",
       "\n",
       "       Ti_T      Cr_C     Fe3_C      Mg_C     Fe2_C      Mn_C      Ca_B  \\\n",
       "0  0.000000  0.000000  0.777185  2.863604  0.840337  0.032490  1.838356   \n",
       "1  0.000000  0.000000  0.137068  2.729380  1.465740  0.000000  1.895758   \n",
       "2  0.031214  0.003165  1.315111  2.835117  0.469527  0.061042  1.733032   \n",
       "3  0.000000  0.001157  0.837300  2.955744  0.765739  0.048336  1.735493   \n",
       "4  0.000000  0.000000  0.538848  2.917447  1.012053  0.025378  1.757165   \n",
       "\n",
       "       Na_B      Na_A       K_A   Al_VI_C      Ti_C     Charge  Fe3_calc  \\\n",
       "0  0.161644  0.467656  0.173157  0.214565  0.271819  45.222815  0.777185   \n",
       "1  0.104242  0.535465  0.154749  0.439153  0.228659  45.862932  0.137068   \n",
       "2  0.266968  0.361808  0.200904  0.000000  0.316038  44.684889  1.315111   \n",
       "3  0.264507  0.379495  0.177338  0.089122  0.302602  45.162700  0.837300   \n",
       "4  0.242835  0.396180  0.164966  0.235891  0.270382  45.461152  0.538848   \n",
       "\n",
       "   Fe2_calc  O=F,Cl  Total  Mgno_Fe2  Mgno_FeT   Na_calc  B_Sum     A_Sum  \\\n",
       "0  0.840337    -0.0    NaN  0.773124  0.639037  0.161644    2.0  0.640813   \n",
       "1  1.465740     0.0    0.0  0.650608  0.630023  0.104242    2.0  0.690215   \n",
       "2  0.469527    -0.0    NaN  0.857919  0.613694  0.266968    2.0  0.562712   \n",
       "3  0.765739    -0.0    NaN  0.794238  0.648362  0.264507    2.0  0.556833   \n",
       "4  1.012053    -0.0    NaN  0.742447  0.652914  0.242835    2.0  0.561146   \n",
       "\n",
       "  class        APE  \n",
       "0   N/A  28.333126  \n",
       "1   N/A        NaN  \n",
       "2   N/A  53.674852  \n",
       "3   N/A  60.173092  \n",
       "4   N/A  36.692839  "
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Ridolfi2021=pt.calculate_amp_only_press(amp_comps=Amps, equationP=\"P_Ridolfi2021\", \n",
    "                                          Ridolfi_Filter=False)\n",
    "P_Ridolfi2021.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1d2c5945-28cb-4634-b1e0-fa389f10af66",
   "metadata": {},
   "source": [
    "###  Mutch et al. (2016)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "08c12f00-92a5-4e2b-8ee6-7169adbf2728",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "</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>Si_T</th>\n",
       "      <th>Al_T</th>\n",
       "      <th>Al_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe3_C</th>\n",
       "      <th>Fe2_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Mg_B</th>\n",
       "      <th>Fe2_B</th>\n",
       "      <th>Mn_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Al_tot</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>6.252577</td>\n",
       "      <td>6.025054</td>\n",
       "      <td>1.974946</td>\n",
       "      <td>0.268940</td>\n",
       "      <td>0.273685</td>\n",
       "      <td>2.882541</td>\n",
       "      <td>0.477503</td>\n",
       "      <td>1.097331</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.053392</td>\n",
       "      <td>0.032705</td>\n",
       "      <td>0.063319</td>\n",
       "      <td>1.850584</td>\n",
       "      <td>0.570150</td>\n",
       "      <td>0.174302</td>\n",
       "      <td>2.243886</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>5.416489</td>\n",
       "      <td>6.393160</td>\n",
       "      <td>1.606840</td>\n",
       "      <td>0.455922</td>\n",
       "      <td>0.229169</td>\n",
       "      <td>2.734787</td>\n",
       "      <td>0.045632</td>\n",
       "      <td>1.534490</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.025869</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.074545</td>\n",
       "      <td>1.899586</td>\n",
       "      <td>0.566437</td>\n",
       "      <td>0.155056</td>\n",
       "      <td>2.062763</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>6.380755</td>\n",
       "      <td>5.784745</td>\n",
       "      <td>2.215255</td>\n",
       "      <td>0.055209</td>\n",
       "      <td>0.351103</td>\n",
       "      <td>2.865846</td>\n",
       "      <td>0.830090</td>\n",
       "      <td>0.894551</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.00320</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.079348</td>\n",
       "      <td>0.061703</td>\n",
       "      <td>0.107065</td>\n",
       "      <td>1.751884</td>\n",
       "      <td>0.528533</td>\n",
       "      <td>0.203081</td>\n",
       "      <td>2.270464</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>4.867111</td>\n",
       "      <td>6.242718</td>\n",
       "      <td>1.757282</td>\n",
       "      <td>0.177987</td>\n",
       "      <td>0.306001</td>\n",
       "      <td>2.988196</td>\n",
       "      <td>0.340790</td>\n",
       "      <td>1.185856</td>\n",
       "      <td>-8.881784e-16</td>\n",
       "      <td>0.00117</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.094001</td>\n",
       "      <td>0.048866</td>\n",
       "      <td>0.102516</td>\n",
       "      <td>1.754616</td>\n",
       "      <td>0.548564</td>\n",
       "      <td>0.179285</td>\n",
       "      <td>1.935268</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.662231</td>\n",
       "      <td>6.420595</td>\n",
       "      <td>1.579405</td>\n",
       "      <td>0.306290</td>\n",
       "      <td>0.272760</td>\n",
       "      <td>2.942367</td>\n",
       "      <td>0.149918</td>\n",
       "      <td>1.328664</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.085573</td>\n",
       "      <td>0.025595</td>\n",
       "      <td>0.116590</td>\n",
       "      <td>1.772242</td>\n",
       "      <td>0.527891</td>\n",
       "      <td>0.166375</td>\n",
       "      <td>1.885695</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc      Si_T      Al_T      Al_C      Ti_C      Mg_C     Fe3_C  \\\n",
       "0     6.252577  6.025054  1.974946  0.268940  0.273685  2.882541  0.477503   \n",
       "1     5.416489  6.393160  1.606840  0.455922  0.229169  2.734787  0.045632   \n",
       "2     6.380755  5.784745  2.215255  0.055209  0.351103  2.865846  0.830090   \n",
       "3     4.867111  6.242718  1.757282  0.177987  0.306001  2.988196  0.340790   \n",
       "4     4.662231  6.420595  1.579405  0.306290  0.272760  2.942367  0.149918   \n",
       "\n",
       "      Fe2_C          Mn_C     Cr_C  Mg_B     Fe2_B      Mn_B      Na_B  \\\n",
       "0  1.097331  0.000000e+00  0.00000   0.0  0.053392  0.032705  0.063319   \n",
       "1  1.534490  0.000000e+00  0.00000   0.0  0.025869  0.000000  0.074545   \n",
       "2  0.894551  0.000000e+00  0.00320   0.0  0.079348  0.061703  0.107065   \n",
       "3  1.185856 -8.881784e-16  0.00117   0.0  0.094001  0.048866  0.102516   \n",
       "4  1.328664  0.000000e+00  0.00000   0.0  0.085573  0.025595  0.116590   \n",
       "\n",
       "       Ca_B      Na_A       K_A    Al_tot  \n",
       "0  1.850584  0.570150  0.174302  2.243886  \n",
       "1  1.899586  0.566437  0.155056  2.062763  \n",
       "2  1.751884  0.528533  0.203081  2.270464  \n",
       "3  1.754616  0.548564  0.179285  1.935268  \n",
       "4  1.772242  0.527891  0.166375  1.885695  "
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Mutch2016=pt.calculate_amp_only_press(amp_comps=Amps, equationP=\"P_Mutch2016\")\n",
    "P_Mutch2016.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "d6721df3-ccd7-4b7f-a468-330b93ae957b",
   "metadata": {},
   "source": [
    "## Example 2 - Amphibole-only temperatures\n",
    "- Unlike pressures, some thermometers are sensitive to P\n",
    "- here, we calculate tempeatures for P=5 kbar"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "433d663f-72a2-4433-b815-4cdbbcd31d0c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    949.569936\n",
       "1    909.242756\n",
       "2    970.552036\n",
       "3    932.138448\n",
       "4    913.234118\n",
       "dtype: float64"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "P_Put2016_5kbar=pt.calculate_amp_only_temp(amp_comps=Amps, equationT=\"T_Put2016_eq6\", P=5)-273.15\n",
    "P_Put2016_5kbar.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e81e43ef-a874-4ae0-8ede-cc3bbac758af",
   "metadata": {},
   "source": [
    "## Example 3 - Iterating P and T\n",
    "- We can also iterate pressure and temperature - most barometers are actually T-insensitive, so it isn't actually iterating, but instead calculates the pressure first, then uses this to calculate the temperature (which does depend on P)."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "557fd5be-4777-407b-9256-c321cf2ec372",
   "metadata": {},
   "outputs": [
    {
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       "  <thead>\n",
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       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>Delta_P_kbar_Iter</th>\n",
       "      <th>Delta_T_K_Iter</th>\n",
       "      <th>SiO2_Amp</th>\n",
       "      <th>TiO2_Amp</th>\n",
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       "      <th>FeOt_Amp</th>\n",
       "      <th>MnO_Amp</th>\n",
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       "      <th>CaO_Amp</th>\n",
       "      <th>Na2O_Amp</th>\n",
       "      <th>K2O_Amp</th>\n",
       "      <th>Cr2O3_Amp</th>\n",
       "      <th>F_Amp</th>\n",
       "      <th>Cl_Amp</th>\n",
       "      <th>Sample_ID_Amp</th>\n",
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       "      <th>0</th>\n",
       "      <td>6.252577</td>\n",
       "      <td>1225.530720</td>\n",
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       "      <td>0</td>\n",
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       "      <td>2.45</td>\n",
       "      <td>12.82</td>\n",
       "      <td>13.11</td>\n",
       "      <td>0.26</td>\n",
       "      <td>13.02</td>\n",
       "      <td>11.63</td>\n",
       "      <td>2.20</td>\n",
       "      <td>0.92</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe1</td>\n",
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       "      <th>1</th>\n",
       "      <td>5.416489</td>\n",
       "      <td>1183.327357</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>39.45</td>\n",
       "      <td>1.88</td>\n",
       "      <td>10.80</td>\n",
       "      <td>11.85</td>\n",
       "      <td>0.00</td>\n",
       "      <td>11.32</td>\n",
       "      <td>10.94</td>\n",
       "      <td>2.04</td>\n",
       "      <td>0.75</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>6.380755</td>\n",
       "      <td>1246.800450</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>42.88</td>\n",
       "      <td>3.46</td>\n",
       "      <td>14.28</td>\n",
       "      <td>15.99</td>\n",
       "      <td>0.54</td>\n",
       "      <td>14.25</td>\n",
       "      <td>12.12</td>\n",
       "      <td>2.43</td>\n",
       "      <td>1.18</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>4.867111</td>\n",
       "      <td>1204.990244</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>42.20</td>\n",
       "      <td>2.75</td>\n",
       "      <td>11.10</td>\n",
       "      <td>13.10</td>\n",
       "      <td>0.39</td>\n",
       "      <td>13.55</td>\n",
       "      <td>11.07</td>\n",
       "      <td>2.27</td>\n",
       "      <td>0.95</td>\n",
       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe4</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.662231</td>\n",
       "      <td>1185.626165</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>40.37</td>\n",
       "      <td>2.28</td>\n",
       "      <td>10.06</td>\n",
       "      <td>11.76</td>\n",
       "      <td>0.19</td>\n",
       "      <td>12.41</td>\n",
       "      <td>10.40</td>\n",
       "      <td>2.09</td>\n",
       "      <td>0.82</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe5</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc  Delta_P_kbar_Iter  Delta_T_K_Iter  SiO2_Amp  \\\n",
       "0     6.252577  1225.530720                  0               0     40.57   \n",
       "1     5.416489  1183.327357                  0               0     39.45   \n",
       "2     6.380755  1246.800450                  0               0     42.88   \n",
       "3     4.867111  1204.990244                  0               0     42.20   \n",
       "4     4.662231  1185.626165                  0               0     40.37   \n",
       "\n",
       "   TiO2_Amp  Al2O3_Amp  FeOt_Amp  MnO_Amp  MgO_Amp  CaO_Amp  Na2O_Amp  \\\n",
       "0      2.45      12.82     13.11     0.26    13.02    11.63      2.20   \n",
       "1      1.88      10.80     11.85     0.00    11.32    10.94      2.04   \n",
       "2      3.46      14.28     15.99     0.54    14.25    12.12      2.43   \n",
       "3      2.75      11.10     13.10     0.39    13.55    11.07      2.27   \n",
       "4      2.28      10.06     11.76     0.19    12.41    10.40      2.09   \n",
       "\n",
       "   K2O_Amp  Cr2O3_Amp  F_Amp  Cl_Amp Sample_ID_Amp  \n",
       "0     0.92       0.00      0       0        probe1  \n",
       "1     0.75       0.00      0       0        probe2  \n",
       "2     1.18       0.03      0       0        probe3  \n",
       "3     0.95       0.01      0       0        probe4  \n",
       "4     0.82       0.00      0       0        probe5  "
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "PT_Mutch=pt.calculate_amp_only_press_temp(amp_comps=Amps, equationT=\"T_Put2016_eq6\", \n",
    "                                          equationP=\"P_Mutch2016\")\n",
    "PT_Mutch.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "e37c82b9-2f5f-4139-955b-36ed8a979b06",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n"
     ]
    },
    {
     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>Input_Check</th>\n",
       "      <th>Fail Msg</th>\n",
       "      <th>classification</th>\n",
       "      <th>equation</th>\n",
       "      <th>SiO2_Amp</th>\n",
       "      <th>TiO2_Amp</th>\n",
       "      <th>Al2O3_Amp</th>\n",
       "      <th>FeOt_Amp</th>\n",
       "      <th>MnO_Amp</th>\n",
       "      <th>MgO_Amp</th>\n",
       "      <th>CaO_Amp</th>\n",
       "      <th>Na2O_Amp</th>\n",
       "      <th>K2O_Amp</th>\n",
       "      <th>Cr2O3_Amp</th>\n",
       "      <th>F_Amp</th>\n",
       "      <th>Cl_Amp</th>\n",
       "      <th>Sample_ID_Amp</th>\n",
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       "      <th>0</th>\n",
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       "      <td>1214.531361</td>\n",
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       "      <td></td>\n",
       "      <td>Mg-hastingsite</td>\n",
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       "      <td>2.45</td>\n",
       "      <td>12.82</td>\n",
       "      <td>13.11</td>\n",
       "      <td>0.26</td>\n",
       "      <td>13.02</td>\n",
       "      <td>11.63</td>\n",
       "      <td>2.20</td>\n",
       "      <td>0.92</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <th>1</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>Recalc Total&lt;98.5</td>\n",
       "      <td>Pargasite</td>\n",
       "      <td>1b</td>\n",
       "      <td>39.45</td>\n",
       "      <td>1.88</td>\n",
       "      <td>10.80</td>\n",
       "      <td>11.85</td>\n",
       "      <td>0.00</td>\n",
       "      <td>11.32</td>\n",
       "      <td>10.94</td>\n",
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       "      <td>NaN</td>\n",
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       "      <td>14.28</td>\n",
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       "      <td>0.54</td>\n",
       "      <td>14.25</td>\n",
       "      <td>12.12</td>\n",
       "      <td>2.43</td>\n",
       "      <td>1.18</td>\n",
       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe3</td>\n",
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       "      <th>3</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>False</td>\n",
       "      <td>APE &gt;60</td>\n",
       "      <td>Mg-hastingsite</td>\n",
       "      <td>1b</td>\n",
       "      <td>42.20</td>\n",
       "      <td>2.75</td>\n",
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       "      <td>13.55</td>\n",
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       "      <td>0.01</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "      <td>Mg-hastingsite</td>\n",
       "      <td>1b</td>\n",
       "      <td>40.37</td>\n",
       "      <td>2.28</td>\n",
       "      <td>10.06</td>\n",
       "      <td>11.76</td>\n",
       "      <td>0.19</td>\n",
       "      <td>12.41</td>\n",
       "      <td>10.40</td>\n",
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       "      <td>0.00</td>\n",
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       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc  Input_Check           Fail Msg  classification  \\\n",
       "0     4.572174  1214.531361         True                     Mg-hastingsite   \n",
       "1          NaN          NaN        False  Recalc Total<98.5       Pargasite   \n",
       "2          NaN          NaN        False   Recalc Total>102  Mg-hastingsite   \n",
       "3          NaN          NaN        False            APE >60  Mg-hastingsite   \n",
       "4          NaN          NaN        False  Recalc Total<98.5  Mg-hastingsite   \n",
       "\n",
       "    equation  SiO2_Amp  TiO2_Amp  Al2O3_Amp  FeOt_Amp  MnO_Amp  MgO_Amp  \\\n",
       "0  (1b+1c)/2     40.57      2.45      12.82     13.11     0.26    13.02   \n",
       "1         1b     39.45      1.88      10.80     11.85     0.00    11.32   \n",
       "2      1c+1d     42.88      3.46      14.28     15.99     0.54    14.25   \n",
       "3         1b     42.20      2.75      11.10     13.10     0.39    13.55   \n",
       "4         1b     40.37      2.28      10.06     11.76     0.19    12.41   \n",
       "\n",
       "   CaO_Amp  Na2O_Amp  K2O_Amp  Cr2O3_Amp  F_Amp  Cl_Amp Sample_ID_Amp  \n",
       "0    11.63      2.20     0.92       0.00      0       0        probe1  \n",
       "1    10.94      2.04     0.75       0.00      0       0        probe2  \n",
       "2    12.12      2.43     1.18       0.03      0       0        probe3  \n",
       "3    11.07      2.27     0.95       0.01      0       0        probe4  \n",
       "4    10.40      2.09     0.82       0.00      0       0        probe5  "
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Same, but iterating Ridolfi 2021 and Ridolfi 2012\n",
    "PT_Ridolfi=pt.calculate_amp_only_press_temp(amp_comps=Amps, equationT=\"T_Ridolfi2012\", \n",
    "                                            equationP=\"P_Ridolfi2021\")\n",
    "PT_Ridolfi.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "8c71efc6-1926-4292-8d25-2a8403d1707c",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n"
     ]
    },
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       "      <td>1.88</td>\n",
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       "      <td>0.00</td>\n",
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       "      <td>0.03</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>probe3</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>3.228704</td>\n",
       "      <td>1212.306099</td>\n",
       "      <td>False</td>\n",
       "      <td>APE &gt;60</td>\n",
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       "      <td>1165.913034</td>\n",
       "      <td>False</td>\n",
       "      <td>Recalc Total&lt;98.5</td>\n",
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       "      <td>40.37</td>\n",
       "      <td>2.28</td>\n",
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       "</table>\n",
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      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc  Input_Check           Fail Msg  classification  \\\n",
       "0     4.572174  1214.531361         True                     Mg-hastingsite   \n",
       "1          NaN          NaN        False  Recalc Total<98.5       Pargasite   \n",
       "2     6.203253  1289.245454        False   Recalc Total>102  Mg-hastingsite   \n",
       "3     3.228704  1212.306099        False            APE >60  Mg-hastingsite   \n",
       "4     2.761702  1165.913034        False  Recalc Total<98.5  Mg-hastingsite   \n",
       "\n",
       "    equation  SiO2_Amp  TiO2_Amp  Al2O3_Amp  FeOt_Amp  MnO_Amp  MgO_Amp  \\\n",
       "0  (1b+1c)/2     40.57      2.45      12.82     13.11     0.26    13.02   \n",
       "1         1b     39.45      1.88      10.80     11.85     0.00    11.32   \n",
       "2      1c+1d     42.88      3.46      14.28     15.99     0.54    14.25   \n",
       "3         1b     42.20      2.75      11.10     13.10     0.39    13.55   \n",
       "4         1b     40.37      2.28      10.06     11.76     0.19    12.41   \n",
       "\n",
       "   CaO_Amp  Na2O_Amp  K2O_Amp  Cr2O3_Amp  F_Amp  Cl_Amp Sample_ID_Amp  \n",
       "0    11.63      2.20     0.92       0.00      0       0        probe1  \n",
       "1    10.94      2.04     0.75       0.00      0       0        probe2  \n",
       "2    12.12      2.43     1.18       0.03      0       0        probe3  \n",
       "3    11.07      2.27     0.95       0.01      0       0        probe4  \n",
       "4    10.40      2.09     0.82       0.00      0       0        probe5  "
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# As above, but without quality filters\n",
    "PT_Ridolfi=pt.calculate_amp_only_press_temp(amp_comps=Amps, equationT=\"T_Ridolfi2012\", \n",
    "                                            equationP=\"P_Ridolfi2021\", Ridolfi_Filter=False)\n",
    "PT_Ridolfi.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "9a054fdc-b3c7-4623-a82c-0c5c2c2e1f66",
   "metadata": {},
   "source": [
    "## Example 4 - Amphibole-liquid thermometry\n",
    "- as for Amp-only, except also specify liquid composition\n",
    "- help function details your options"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "002185cf-9a85-4652-a853-6cd3de0e2814",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Help on function calculate_amp_liq_temp in module Thermobar.amphibole:\n",
      "\n",
      "calculate_amp_liq_temp(*, amp_comps=None, liq_comps=None, meltmatch=None, equationT=None, P=None, H2O_Liq=None, eq_tests=False)\n",
      "     Amphibole-liquid thermometers. Returns temperature in Kelvin.\n",
      "    \n",
      "    Parameters\n",
      "     -------\n",
      "    \n",
      "     amp_comps: pandas DataFrame\n",
      "         amphibole compositions (SiO2_Amp, TiO2_Amp etc.)\n",
      "    \n",
      "     liq_comps: pandas DataFrame\n",
      "         liquid compositions (SiO2_Liq, TiO2_Liq etc.)\n",
      "    \n",
      "     equationT: str\n",
      "         T_Put2016_eq4a_amp_sat (P-independent, H2O-dep through hydrous fractions)\n",
      "         T_Put2016_eq4b (P-independent, H2O-dep)\n",
      "         T_Put2016_eq9 (P-independent, H2O-dep through hydrous fractions)\n",
      "    \n",
      "     P: float, int, pandas.Series, str  (\"Solve\")\n",
      "         Pressure in kbar\n",
      "         Only needed for P-sensitive thermometers.\n",
      "         If enter P=\"Solve\", returns a partial function\n",
      "         Else, enter an integer, float, or panda series\n",
      "    \n",
      "     eq_tests: bool. Default False\n",
      "         If True, also calcualtes Kd Fe-Mg, which Putirka (2016) suggest\n",
      "         as an equilibrium test.\n",
      "    \n",
      "    \n",
      "     Returns\n",
      "     -------\n",
      "     pandas.core.series.Series\n",
      "         Temperature in Kelvin\n",
      "\n"
     ]
    }
   ],
   "source": [
    "help(pt.calculate_amp_liq_temp)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "70aad809-9dbd-4445-b5d5-22af6258a564",
   "metadata": {},
   "source": [
    "### Using T_Put2016_eq4a_amp_sat. \n",
    "- Note, this calculates the temperature at which a liquid is saturated in amphibole, not the temperature of the liquid"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "811c2b0f-0b09-42a4-8cac-457ce62a6522",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    955.645223\n",
       "1    953.150156\n",
       "2    948.694038\n",
       "3    960.445436\n",
       "4    959.956477\n",
       "dtype: float64"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq4a_T=pt.calculate_amp_liq_temp(liq_comps=Liqs, amp_comps=Amps, \n",
    "                                 equationT=\"T_Put2016_eq4a_amp_sat\")-273.15\n",
    "eq4a_T.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "55d55fc3-5a7b-4173-94f2-fa1d504e803b",
   "metadata": {},
   "source": [
    "### Assessing equilibrium \n",
    "- As for other functions, you can also specify eq_tests=True, to get the Kd Fe-Mg value Putirka suggest may be a useful equilibrium test (+0.28+-0.11)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "20146a0c-a434-4df8-9274-335f587a26b5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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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>Kd-Fe-Mg</th>\n",
       "      <th>Eq Putirka 2016?</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1228.795223</td>\n",
       "      <td>0.269594</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1226.300156</td>\n",
       "      <td>0.269763</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1221.844038</td>\n",
       "      <td>0.269914</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1233.595436</td>\n",
       "      <td>0.269310</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1233.106477</td>\n",
       "      <td>0.269070</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      T_K_calc  Kd-Fe-Mg Eq Putirka 2016?\n",
       "0  1228.795223  0.269594                Y\n",
       "1  1226.300156  0.269763                Y\n",
       "2  1221.844038  0.269914                Y\n",
       "3  1233.595436  0.269310                Y\n",
       "4  1233.106477  0.269070                Y"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq4a_T_EqTest=pt.calculate_amp_liq_temp(liq_comps=Liqs, amp_comps=Amps, \n",
    "                                        equationT=\"T_Put2016_eq4a_amp_sat\", \n",
    "                                        eq_tests=True)\n",
    "eq4a_T_EqTest.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "fde4ae25-ee5e-4f7c-8fa6-f0d0098fe4c9",
   "metadata": {},
   "source": [
    "### Overwriting H2O_Liq.\n",
    "- These equations are a little sensitive to melt H2O, because they are parameterized in terms of hydrous fractions, and some contain a separate T term too. You can overwrite the H2O_Liq value in the entered spreadsheet"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "58e27bd3-a55c-4a2a-a60a-33ee0baf9b7e",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0    956.245340\n",
       "1    956.054834\n",
       "2    954.875620\n",
       "3    958.149927\n",
       "4    956.046688\n",
       "dtype: float64"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq4a_T_1H2O=pt.calculate_amp_liq_temp(liq_comps=Liqs, amp_comps=Amps,\n",
    "                        equationT=\"T_Put2016_eq4a_amp_sat\", H2O_Liq=1)-273.15\n",
    "eq4a_T_1H2O.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "111bbfa3-e94d-4b41-aa5c-2ff90fcd6e28",
   "metadata": {},
   "source": [
    "## Example 5 - Amphibole-Liquid barometry\n",
    "- Here we are overwriting the input H2O content with 1, if you remove this, reads from spreadsheet"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "02f1baca-caf9-4e5d-9815-fe80c7b38a15",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "0    4.328014\n",
       "1    2.960536\n",
       "2    5.182170\n",
       "3    3.167717\n",
       "4    2.728212\n",
       "dtype: float64"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq7a_T_1H2O=pt.calculate_amp_liq_press(liq_comps=Liqs, amp_comps=Amps, \n",
    "                            equationP=\"P_Put2016_eq7a\", H2O_Liq=1)\n",
    "eq7a_T_1H2O.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "0aa2fda8-70f1-4510-8f73-c6747f980710",
   "metadata": {},
   "source": [
    "## Example 6 - Iterating equations for pressure and temperature for amphibole liquid\n",
    "- The function prints to tell you actually you selected 2 functions independent of P and T, so only 1 iterative step is being done."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "b8c90d28-e153-4d6e-9ef7-920c7d2a39cf",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a P-independent function\n",
      "Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>P_kbar_calc</th>\n",
       "      <th>T_K_calc</th>\n",
       "      <th>Delta_P_kbar_Iter</th>\n",
       "      <th>Delta_T_K_Iter</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>6.168027</td>\n",
       "      <td>1202.507284</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>4.801223</td>\n",
       "      <td>1189.376371</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>7.023825</td>\n",
       "      <td>1185.097051</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>5.006890</td>\n",
       "      <td>1216.975219</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4.566914</td>\n",
       "      <td>1219.944334</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
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       "   P_kbar_calc     T_K_calc  Delta_P_kbar_Iter  Delta_T_K_Iter\n",
       "0     6.168027  1202.507284                0.0             0.0\n",
       "1     4.801223  1189.376371                0.0             0.0\n",
       "2     7.023825  1185.097051                0.0             0.0\n",
       "3     5.006890  1216.975219                0.0             0.0\n",
       "4     4.566914  1219.944334                0.0             0.0"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq7a_eq4b=pt.calculate_amp_liq_press_temp(liq_comps=Liqs, amp_comps=Amps, \n",
    "                                          equationP=\"P_Put2016_eq7a\", \n",
    "                                          equationT=\"T_Put2016_eq4b\")\n",
    "eq7a_eq4b.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "6530d3c9-a1c8-4ceb-86a6-00326cdb95d3",
   "metadata": {},
   "source": [
    "### Both are actually pretty sensitive to water. "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "06e19ef2-a314-4fef-9c93-d9786e6b8864",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a P-independent function\n",
      "Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
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       "      <th>Delta_P_kbar_Iter</th>\n",
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       "   P_kbar_calc     T_K_calc  Delta_P_kbar_Iter  Delta_T_K_Iter\n",
       "0     4.328014  1192.934086                0.0             0.0\n",
       "1     2.960536  1180.068037                0.0             0.0\n",
       "2     5.182170  1175.871630                0.0             0.0\n",
       "3     3.167717  1207.106379                0.0             0.0\n",
       "4     2.728212  1210.015416                0.0             0.0"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq7a_eq4b_1H2O=pt.calculate_amp_liq_press_temp(liq_comps=Liqs, amp_comps=Amps, \n",
    "                                               equationP=\"P_Put2016_eq7a\", \n",
    "                                               equationT=\"T_Put2016_eq4b\", \n",
    "                                               H2O_Liq=1)\n",
    "eq7a_eq4b_1H2O.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "5a71266f-b3df-4c25-81b0-39740ad5c697",
   "metadata": {},
   "source": [
    "### can also specify eq_tests=True, and it calculates Kd Fe-Mg, and then classifies within this is within the suggested range of Putirka (2008)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "aff62dc7-c8cb-41e7-b763-578c29da1007",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Youve selected a P-independent function\n",
      "Note - Putirka 2016 spreadsheet calculates H2O using a H2O-solubility law of uncertian origin based on the pressure calculated for 7a, and iterates H2O and P. We dont do this, as we dont believe a pure h2o model is necessarily valid as you may be mixed fluid saturated or undersaturated. We recomend instead you choose a reasonable H2O content based on your system.\n",
      "Youve selected a T-independent function\n"
     ]
    },
    {
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       "      <th>Delta_P_kbar_Iter</th>\n",
       "      <th>Delta_T_K_Iter</th>\n",
       "      <th>Kd-Fe-Mg</th>\n",
       "      <th>Eq Putirka 2016?</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>4.328014</td>\n",
       "      <td>1192.934086</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.269594</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2.960536</td>\n",
       "      <td>1180.068037</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.269763</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>5.182170</td>\n",
       "      <td>1175.871630</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.269914</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>3.167717</td>\n",
       "      <td>1207.106379</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.269310</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>2.728212</td>\n",
       "      <td>1210.015416</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.269070</td>\n",
       "      <td>Y</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   P_kbar_calc     T_K_calc  Delta_P_kbar_Iter  Delta_T_K_Iter  Kd-Fe-Mg  \\\n",
       "0     4.328014  1192.934086                0.0             0.0  0.269594   \n",
       "1     2.960536  1180.068037                0.0             0.0  0.269763   \n",
       "2     5.182170  1175.871630                0.0             0.0  0.269914   \n",
       "3     3.167717  1207.106379                0.0             0.0  0.269310   \n",
       "4     2.728212  1210.015416                0.0             0.0  0.269070   \n",
       "\n",
       "  Eq Putirka 2016?  \n",
       "0                Y  \n",
       "1                Y  \n",
       "2                Y  \n",
       "3                Y  \n",
       "4                Y  "
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "eq7a_eq4b_1H2O_EqTests=pt.calculate_amp_liq_press_temp(liq_comps=Liqs, amp_comps=Amps, \n",
    "                                                       equationP=\"P_Put2016_eq7a\", \n",
    "                                                       equationT=\"T_Put2016_eq4b\", \n",
    "                                                       H2O_Liq=1, eq_tests=True)\n",
    "eq7a_eq4b_1H2O_EqTests.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e4cdb7af-d3bc-4437-814c-0c00976bc2a1",
   "metadata": {},
   "source": [
    "## Example 8 - Calculating melt compositions from amphibole compositions.\n",
    "- You need to specify amphibole compositions.\n",
    "- For some equations, e.g., equation 3 and 5 from Zhang, Putirka (2016) SiO2 content you also need to specify temperature. \n",
    "- If you don't, it returns a warning telling you that you won't get results for 3 equations unless you enter a T."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "ca1c3fed-7097-498e-b94b-4a8959ea87e6",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "C:\\Users\\penny\\anaconda3\\lib\\site-packages\\pandas\\core\\indexing.py:2115: FutureWarning: In a future version, the Index constructor will not infer numeric dtypes when passed object-dtype sequences (matching Series behavior)\n",
      "  new_ix = Index(new_ix)\n",
      "g:\\my drive\\postdoc\\pymme\\mybarometers\\thermobar_outer\\src\\Thermobar\\amphibole.py:297: UserWarning: You must enter a value for T in Kelvin to get results from equation3 and 5 from Zhang, and SiO2 from Putrka (2016)\n",
      "  w.warn('You must enter a value for T in Kelvin to get results from equation3 and 5 from Zhang, and SiO2 from Putrka (2016)')\n"
     ]
    },
    {
     "data": {
      "text/html": [
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       "\n",
       "    .dataframe tbody tr th {\n",
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       "\n",
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       "        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>SiO2_Eq1_Zhang17</th>\n",
       "      <th>SiO2_Eq2_Zhang17</th>\n",
       "      <th>SiO2_Eq4_Zhang17</th>\n",
       "      <th>TiO2_Eq6_Zhang17</th>\n",
       "      <th>FeO_Eq7_Zhang17</th>\n",
       "      <th>MgO_Eq9_Zhang17</th>\n",
       "      <th>CaO_Eq10_Zhang17</th>\n",
       "      <th>CaO_Eq11_Zhang17</th>\n",
       "      <th>K2O_Eq12_Zhang17</th>\n",
       "      <th>K2O_Eq13_Zhang17</th>\n",
       "      <th>Al2O3_Eq14_Zhang17</th>\n",
       "      <th>H2O_Ridolfi21</th>\n",
       "      <th>deltaNNO_Ridolfi21</th>\n",
       "      <th>Si_Amp_cat_23ox</th>\n",
       "      <th>Mg_Amp_cat_23ox</th>\n",
       "      <th>Fet_Amp_cat_23ox</th>\n",
       "      <th>Ca_Amp_cat_23ox</th>\n",
       "      <th>Al_Amp_cat_23ox</th>\n",
       "      <th>Na_Amp_cat_23ox</th>\n",
       "      <th>K_Amp_cat_23ox</th>\n",
       "      <th>Mn_Amp_cat_23ox</th>\n",
       "      <th>Ti_Amp_cat_23ox</th>\n",
       "      <th>Cr_Amp_cat_23ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>cation_sum_Si_Mg</th>\n",
       "      <th>cation_sum_Si_Ca</th>\n",
       "      <th>cation_sum_All</th>\n",
       "      <th>Mgno_Amp</th>\n",
       "      <th>Si_T</th>\n",
       "      <th>Al_T</th>\n",
       "      <th>Al_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Mg_B</th>\n",
       "      <th>Fe_B</th>\n",
       "      <th>Mn_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Ca_A</th>\n",
       "      <th>Sum_T</th>\n",
       "      <th>Sum_C</th>\n",
       "      <th>Sum_B</th>\n",
       "      <th>Sum_A</th>\n",
       "      <th>factor_8SiAl</th>\n",
       "      <th>factor_15eK</th>\n",
       "      <th>factor_13eCNK</th>\n",
       "      <th>All ferric</th>\n",
       "      <th>8Si_Min</th>\n",
       "      <th>16CAT_Min</th>\n",
       "      <th>15eNK_Min</th>\n",
       "      <th>Min_MinFactor</th>\n",
       "      <th>Min_factor</th>\n",
       "      <th>Max_factor</th>\n",
       "      <th>Av_factor</th>\n",
       "      <th>Si_T_ideal</th>\n",
       "      <th>Al_IV_T_ideal</th>\n",
       "      <th>Ti_T_ideal</th>\n",
       "      <th>Al_VI_C_ideal</th>\n",
       "      <th>Ti_C_ideal</th>\n",
       "      <th>Cr_C_ideal</th>\n",
       "      <th>Fe3_C_ideal</th>\n",
       "      <th>Mg_C_ideal</th>\n",
       "      <th>Fe2_C_ideal</th>\n",
       "      <th>Mn_C_ideal</th>\n",
       "      <th>Mg_B_ideal</th>\n",
       "      <th>Fe2_B_ideal</th>\n",
       "      <th>Mn_B_ideal</th>\n",
       "      <th>Ca_B_ideal</th>\n",
       "      <th>Na_B_ideal</th>\n",
       "      <th>Na_A_ideal</th>\n",
       "      <th>K_A_ideal</th>\n",
       "      <th>FeO_Eq8_Zhang17</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>59.333654</td>\n",
       "      <td>60.645146</td>\n",
       "      <td>56.117080</td>\n",
       "      <td>0.685874</td>\n",
       "      <td>5.586412</td>\n",
       "      <td>2.128936</td>\n",
       "      <td>6.437242</td>\n",
       "      <td>4.935349</td>\n",
       "      <td>2.378780</td>\n",
       "      <td>2.334718</td>\n",
       "      <td>17.886312</td>\n",
       "      <td>6.221705</td>\n",
       "      <td>2.781062</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.645305</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>2.267423</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.223362</td>\n",
       "      <td>15.093357</td>\n",
       "      <td>15.909602</td>\n",
       "      <td>0.639036</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>1.911747</td>\n",
       "      <td>0.355676</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.454991</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.190314</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.723444</td>\n",
       "      <td>2.093357</td>\n",
       "      <td>0.816245</td>\n",
       "      <td>0.957433</td>\n",
       "      <td>0.953381</td>\n",
       "      <td>0.861306</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>1.314006</td>\n",
       "      <td>1.005682</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>0.979641</td>\n",
       "      <td>5.964303</td>\n",
       "      <td>2.035697</td>\n",
       "      <td>0</td>\n",
       "      <td>0.185564</td>\n",
       "      <td>0.270926</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.936506</td>\n",
       "      <td>2.853476</td>\n",
       "      <td>0.675302</td>\n",
       "      <td>0.032375</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.831924</td>\n",
       "      <td>0.168076</td>\n",
       "      <td>0.459007</td>\n",
       "      <td>0.172544</td>\n",
       "      <td>5.949181</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>70.902522</td>\n",
       "      <td>70.515408</td>\n",
       "      <td>66.223315</td>\n",
       "      <td>0.273132</td>\n",
       "      <td>2.250664</td>\n",
       "      <td>0.846023</td>\n",
       "      <td>3.285068</td>\n",
       "      <td>3.603327</td>\n",
       "      <td>1.974113</td>\n",
       "      <td>2.730521</td>\n",
       "      <td>17.962779</td>\n",
       "      <td>9.282463</td>\n",
       "      <td>1.956064</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.607585</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>2.064811</td>\n",
       "      <td>0.641619</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.038803</td>\n",
       "      <td>14.940276</td>\n",
       "      <td>15.737104</td>\n",
       "      <td>0.630022</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>1.600492</td>\n",
       "      <td>0.464319</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.568782</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.038803</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.059724</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>0.581894</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.770603</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.737104</td>\n",
       "      <td>0.945144</td>\n",
       "      <td>0.962656</td>\n",
       "      <td>0.870131</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>1.250096</td>\n",
       "      <td>1.016705</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>0.983116</td>\n",
       "      <td>6.291461</td>\n",
       "      <td>1.708539</td>\n",
       "      <td>0</td>\n",
       "      <td>0.321410</td>\n",
       "      <td>0.225524</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.776650</td>\n",
       "      <td>2.691284</td>\n",
       "      <td>0.803792</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869369</td>\n",
       "      <td>0.130631</td>\n",
       "      <td>0.500154</td>\n",
       "      <td>0.152589</td>\n",
       "      <td>2.686836</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>51.363763</td>\n",
       "      <td>52.107144</td>\n",
       "      <td>50.932554</td>\n",
       "      <td>1.245742</td>\n",
       "      <td>11.372546</td>\n",
       "      <td>3.023436</td>\n",
       "      <td>7.405270</td>\n",
       "      <td>5.178338</td>\n",
       "      <td>2.916734</td>\n",
       "      <td>2.438641</td>\n",
       "      <td>17.480366</td>\n",
       "      <td>4.148120</td>\n",
       "      <td>2.869497</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.837141</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>2.312188</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.382545</td>\n",
       "      <td>15.166623</td>\n",
       "      <td>16.020715</td>\n",
       "      <td>0.613693</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.108948</td>\n",
       "      <td>0.203240</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.517434</td>\n",
       "      <td>0</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.319708</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.642444</td>\n",
       "      <td>2.166623</td>\n",
       "      <td>0.854092</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.948533</td>\n",
       "      <td>0.857145</td>\n",
       "      <td>0.961596</td>\n",
       "      <td>1.357992</td>\n",
       "      <td>0.998707</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.982119</td>\n",
       "      <td>5.785715</td>\n",
       "      <td>2.214285</td>\n",
       "      <td>0</td>\n",
       "      <td>0.056559</td>\n",
       "      <td>0.351162</td>\n",
       "      <td>0.003200</td>\n",
       "      <td>0.822521</td>\n",
       "      <td>2.866326</td>\n",
       "      <td>0.900231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.08154</td>\n",
       "      <td>0.061714</td>\n",
       "      <td>1.752177</td>\n",
       "      <td>0.104570</td>\n",
       "      <td>0.531135</td>\n",
       "      <td>0.203115</td>\n",
       "      <td>9.665180</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>60.687647</td>\n",
       "      <td>62.268993</td>\n",
       "      <td>61.703644</td>\n",
       "      <td>0.690791</td>\n",
       "      <td>4.614921</td>\n",
       "      <td>1.239917</td>\n",
       "      <td>5.309611</td>\n",
       "      <td>3.706322</td>\n",
       "      <td>3.330558</td>\n",
       "      <td>2.619149</td>\n",
       "      <td>16.370036</td>\n",
       "      <td>4.303575</td>\n",
       "      <td>2.046019</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.632744</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>1.949713</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.240963</td>\n",
       "      <td>15.008675</td>\n",
       "      <td>15.845238</td>\n",
       "      <td>0.648361</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>1.710687</td>\n",
       "      <td>0.239025</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.441011</td>\n",
       "      <td>0</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.191732</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.691715</td>\n",
       "      <td>2.008675</td>\n",
       "      <td>0.836562</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.957572</td>\n",
       "      <td>0.866166</td>\n",
       "      <td>0.965722</td>\n",
       "      <td>1.271999</td>\n",
       "      <td>1.009767</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.985205</td>\n",
       "      <td>6.196264</td>\n",
       "      <td>1.803736</td>\n",
       "      <td>0</td>\n",
       "      <td>0.117131</td>\n",
       "      <td>0.303724</td>\n",
       "      <td>0.001161</td>\n",
       "      <td>0.680556</td>\n",
       "      <td>2.965960</td>\n",
       "      <td>0.928032</td>\n",
       "      <td>0.003435</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.045067</td>\n",
       "      <td>1.741559</td>\n",
       "      <td>0.213373</td>\n",
       "      <td>0.432862</td>\n",
       "      <td>0.177951</td>\n",
       "      <td>4.298402</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>66.494122</td>\n",
       "      <td>68.100781</td>\n",
       "      <td>65.870371</td>\n",
       "      <td>0.454822</td>\n",
       "      <td>2.915419</td>\n",
       "      <td>0.863156</td>\n",
       "      <td>4.323992</td>\n",
       "      <td>3.348260</td>\n",
       "      <td>2.908677</td>\n",
       "      <td>2.620235</td>\n",
       "      <td>16.658488</td>\n",
       "      <td>5.642425</td>\n",
       "      <td>1.799559</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.569270</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>1.891861</td>\n",
       "      <td>0.646588</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.154038</td>\n",
       "      <td>14.932075</td>\n",
       "      <td>15.745582</td>\n",
       "      <td>0.652913</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>1.558411</td>\n",
       "      <td>0.333450</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.440910</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.128359</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.067925</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>0.578663</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.726348</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.745582</td>\n",
       "      <td>0.959987</td>\n",
       "      <td>0.962855</td>\n",
       "      <td>0.870609</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>1.241930</td>\n",
       "      <td>1.016158</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>0.983505</td>\n",
       "      <td>6.335338</td>\n",
       "      <td>1.664662</td>\n",
       "      <td>0</td>\n",
       "      <td>0.195993</td>\n",
       "      <td>0.269138</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.758750</td>\n",
       "      <td>2.903296</td>\n",
       "      <td>0.784635</td>\n",
       "      <td>0.025255</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.748709</td>\n",
       "      <td>0.251291</td>\n",
       "      <td>0.384632</td>\n",
       "      <td>0.164166</td>\n",
       "      <td>3.109003</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Eq1_Zhang17  SiO2_Eq2_Zhang17  SiO2_Eq4_Zhang17  TiO2_Eq6_Zhang17  \\\n",
       "0         59.333654         60.645146         56.117080          0.685874   \n",
       "1         70.902522         70.515408         66.223315          0.273132   \n",
       "2         51.363763         52.107144         50.932554          1.245742   \n",
       "3         60.687647         62.268993         61.703644          0.690791   \n",
       "4         66.494122         68.100781         65.870371          0.454822   \n",
       "\n",
       "   FeO_Eq7_Zhang17  MgO_Eq9_Zhang17  CaO_Eq10_Zhang17  CaO_Eq11_Zhang17  \\\n",
       "0         5.586412         2.128936          6.437242          4.935349   \n",
       "1         2.250664         0.846023          3.285068          3.603327   \n",
       "2        11.372546         3.023436          7.405270          5.178338   \n",
       "3         4.614921         1.239917          5.309611          3.706322   \n",
       "4         2.915419         0.863156          4.323992          3.348260   \n",
       "\n",
       "   K2O_Eq12_Zhang17  K2O_Eq13_Zhang17  Al2O3_Eq14_Zhang17  H2O_Ridolfi21  \\\n",
       "0          2.378780          2.334718           17.886312       6.221705   \n",
       "1          1.974113          2.730521           17.962779       9.282463   \n",
       "2          2.916734          2.438641           17.480366       4.148120   \n",
       "3          3.330558          2.619149           16.370036       4.303575   \n",
       "4          2.908677          2.620235           16.658488       5.642425   \n",
       "\n",
       "   deltaNNO_Ridolfi21  Si_Amp_cat_23ox  Mg_Amp_cat_23ox  Fet_Amp_cat_23ox  \\\n",
       "0            2.781062         6.088253         2.912777          1.645305   \n",
       "1            1.956064         6.399508         2.737503          1.607585   \n",
       "2            2.869497         5.891052         2.918512          1.837141   \n",
       "3            2.046019         6.289313         3.010500          1.632744   \n",
       "4            1.799559         6.441589         2.951988          1.569270   \n",
       "\n",
       "   Ca_Amp_cat_23ox  Al_Amp_cat_23ox  Na_Amp_cat_23ox  K_Amp_cat_23ox  \\\n",
       "0         1.869995         2.267423         0.640114        0.176130   \n",
       "1         1.901472         2.064811         0.641619        0.155210   \n",
       "2         1.784078         2.312188         0.647279        0.206813   \n",
       "3         1.767712         1.949713         0.655939        0.180623   \n",
       "4         1.778037         1.891861         0.646588        0.166919   \n",
       "\n",
       "   Mn_Amp_cat_23ox  Ti_Amp_cat_23ox  Cr_Amp_cat_23ox  oxy_renorm_factor  \\\n",
       "0         0.033048         0.276556         0.000000                0.0   \n",
       "1         0.000000         0.229397         0.000000                0.0   \n",
       "2         0.062837         0.357556         0.003258                0.0   \n",
       "3         0.049231         0.308285         0.001178                0.0   \n",
       "4         0.025679         0.273652         0.000000                0.0   \n",
       "\n",
       "   cation_sum_Si_Mg  cation_sum_Si_Ca  cation_sum_All  Mgno_Amp      Si_T  \\\n",
       "0         13.223362         15.093357       15.909602  0.639036  6.088253   \n",
       "1         13.038803         14.940276       15.737104  0.630022  6.399508   \n",
       "2         13.382545         15.166623       16.020715  0.613693  5.891052   \n",
       "3         13.240963         15.008675       15.845238  0.648361  6.289313   \n",
       "4         13.154038         14.932075       15.745582  0.652913  6.441589   \n",
       "\n",
       "       Al_T      Al_C      Ti_C      Mg_C      Fe_C  Mn_C      Cr_C  Mg_B  \\\n",
       "0  1.911747  0.355676  0.276556  2.912777  1.454991     0  0.000000   0.0   \n",
       "1  1.600492  0.464319  0.229397  2.737503  1.568782     0  0.000000   0.0   \n",
       "2  2.108948  0.203240  0.357556  2.918512  1.517434     0  0.003258   0.0   \n",
       "3  1.710687  0.239025  0.308285  3.010500  1.441011     0  0.001178   0.0   \n",
       "4  1.558411  0.333450  0.273652  2.951988  1.440910     0  0.000000   0.0   \n",
       "\n",
       "       Fe_B      Mn_B      Na_B      Ca_B      Na_A       K_A  Ca_A  Sum_T  \\\n",
       "0  0.190314  0.033048  0.000000  1.869995  0.640114  0.176130     0    8.0   \n",
       "1  0.038803  0.000000  0.059724  1.901472  0.581894  0.155210     0    8.0   \n",
       "2  0.319708  0.062837  0.000000  1.784078  0.647279  0.206813     0    8.0   \n",
       "3  0.191732  0.049231  0.000000  1.767712  0.655939  0.180623     0    8.0   \n",
       "4  0.128359  0.025679  0.067925  1.778037  0.578663  0.166919     0    8.0   \n",
       "\n",
       "      Sum_C     Sum_B     Sum_A  factor_8SiAl  factor_15eK  factor_13eCNK  \\\n",
       "0  4.723444  2.093357  0.816245      0.957433     0.953381       0.861306   \n",
       "1  4.770603  2.000000  0.737104      0.945144     0.962656       0.870131   \n",
       "2  4.642444  2.166623  0.854092      0.975224     0.948533       0.857145   \n",
       "3  4.691715  2.008675  0.836562      0.970989     0.957572       0.866166   \n",
       "4  4.726348  2.000000  0.745582      0.959987     0.962855       0.870609   \n",
       "\n",
       "   All ferric   8Si_Min  16CAT_Min  15eNK_Min  Min_MinFactor  Min_factor  \\\n",
       "0    0.965468  1.314006   1.005682   0.993815       0.993815    0.993815   \n",
       "1    0.966233  1.250096   1.016705   1.003998       1.003998    1.000000   \n",
       "2    0.961596  1.357992   0.998707   0.989014       0.989014    0.989014   \n",
       "3    0.965722  1.271999   1.009767   0.999422       0.999422    0.999422   \n",
       "4    0.967011  1.241930   1.016158   1.004549       1.004549    1.000000   \n",
       "\n",
       "   Max_factor  Av_factor  Si_T_ideal  Al_IV_T_ideal  Ti_T_ideal  \\\n",
       "0    0.965468   0.979641    5.964303       2.035697           0   \n",
       "1    0.966233   0.983116    6.291461       1.708539           0   \n",
       "2    0.975224   0.982119    5.785715       2.214285           0   \n",
       "3    0.970989   0.985205    6.196264       1.803736           0   \n",
       "4    0.967011   0.983505    6.335338       1.664662           0   \n",
       "\n",
       "   Al_VI_C_ideal  Ti_C_ideal  Cr_C_ideal  Fe3_C_ideal  Mg_C_ideal  \\\n",
       "0       0.185564    0.270926    0.000000     0.936506    2.853476   \n",
       "1       0.321410    0.225524    0.000000     0.776650    2.691284   \n",
       "2       0.056559    0.351162    0.003200     0.822521    2.866326   \n",
       "3       0.117131    0.303724    0.001161     0.680556    2.965960   \n",
       "4       0.195993    0.269138    0.000000     0.758750    2.903296   \n",
       "\n",
       "   Fe2_C_ideal  Mn_C_ideal  Mg_B_ideal  Fe2_B_ideal  Mn_B_ideal  Ca_B_ideal  \\\n",
       "0     0.675302    0.032375           0      0.00000    0.000000    1.831924   \n",
       "1     0.803792    0.000000           0      0.00000    0.000000    1.869369   \n",
       "2     0.900231    0.000000           0      0.08154    0.061714    1.752177   \n",
       "3     0.928032    0.003435           0      0.00000    0.045067    1.741559   \n",
       "4     0.784635    0.025255           0      0.00000    0.000000    1.748709   \n",
       "\n",
       "   Na_B_ideal  Na_A_ideal  K_A_ideal  FeO_Eq8_Zhang17  \n",
       "0    0.168076    0.459007   0.172544         5.949181  \n",
       "1    0.130631    0.500154   0.152589         2.686836  \n",
       "2    0.104570    0.531135   0.203115         9.665180  \n",
       "3    0.213373    0.432862   0.177951         4.298402  \n",
       "4    0.251291    0.384632   0.164166         3.109003  "
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Melt_Comps=pt.calculate_amp_only_melt_comps(amp_comps=Amps)\n",
    "Melt_Comps.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "cb8cb43f-e9b0-499e-bcda-73b44968ab89",
   "metadata": {},
   "source": [
    "- Calculations at a fixed temperature (1300 Kelvin!)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "2c92f3f4-6217-40f4-885e-570cd6923062",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SiO2_Eq10_Put2016</th>\n",
       "      <th>SiO2_Eq1_Zhang17</th>\n",
       "      <th>SiO2_Eq2_Zhang17</th>\n",
       "      <th>SiO2_Eq4_Zhang17</th>\n",
       "      <th>TiO2_Eq6_Zhang17</th>\n",
       "      <th>SiO2_Eq3_Zhang17</th>\n",
       "      <th>FeO_Eq7_Zhang17</th>\n",
       "      <th>TiO2_Eq5_Zhang17</th>\n",
       "      <th>MgO_Eq9_Zhang17</th>\n",
       "      <th>CaO_Eq10_Zhang17</th>\n",
       "      <th>CaO_Eq11_Zhang17</th>\n",
       "      <th>K2O_Eq12_Zhang17</th>\n",
       "      <th>K2O_Eq13_Zhang17</th>\n",
       "      <th>Al2O3_Eq14_Zhang17</th>\n",
       "      <th>H2O_Ridolfi21</th>\n",
       "      <th>deltaNNO_Ridolfi21</th>\n",
       "      <th>Si_Amp_cat_23ox</th>\n",
       "      <th>Mg_Amp_cat_23ox</th>\n",
       "      <th>Fet_Amp_cat_23ox</th>\n",
       "      <th>Ca_Amp_cat_23ox</th>\n",
       "      <th>Al_Amp_cat_23ox</th>\n",
       "      <th>Na_Amp_cat_23ox</th>\n",
       "      <th>K_Amp_cat_23ox</th>\n",
       "      <th>Mn_Amp_cat_23ox</th>\n",
       "      <th>Ti_Amp_cat_23ox</th>\n",
       "      <th>Cr_Amp_cat_23ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>cation_sum_Si_Mg</th>\n",
       "      <th>cation_sum_Si_Ca</th>\n",
       "      <th>cation_sum_All</th>\n",
       "      <th>Mgno_Amp</th>\n",
       "      <th>Si_T</th>\n",
       "      <th>Al_T</th>\n",
       "      <th>Al_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Mg_B</th>\n",
       "      <th>Fe_B</th>\n",
       "      <th>Mn_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Ca_A</th>\n",
       "      <th>Sum_T</th>\n",
       "      <th>Sum_C</th>\n",
       "      <th>Sum_B</th>\n",
       "      <th>Sum_A</th>\n",
       "      <th>factor_8SiAl</th>\n",
       "      <th>factor_15eK</th>\n",
       "      <th>factor_13eCNK</th>\n",
       "      <th>All ferric</th>\n",
       "      <th>8Si_Min</th>\n",
       "      <th>16CAT_Min</th>\n",
       "      <th>15eNK_Min</th>\n",
       "      <th>Min_MinFactor</th>\n",
       "      <th>Min_factor</th>\n",
       "      <th>Max_factor</th>\n",
       "      <th>Av_factor</th>\n",
       "      <th>Si_T_ideal</th>\n",
       "      <th>Al_IV_T_ideal</th>\n",
       "      <th>Ti_T_ideal</th>\n",
       "      <th>Al_VI_C_ideal</th>\n",
       "      <th>Ti_C_ideal</th>\n",
       "      <th>Cr_C_ideal</th>\n",
       "      <th>Fe3_C_ideal</th>\n",
       "      <th>Mg_C_ideal</th>\n",
       "      <th>Fe2_C_ideal</th>\n",
       "      <th>Mn_C_ideal</th>\n",
       "      <th>Mg_B_ideal</th>\n",
       "      <th>Fe2_B_ideal</th>\n",
       "      <th>Mn_B_ideal</th>\n",
       "      <th>Ca_B_ideal</th>\n",
       "      <th>Na_B_ideal</th>\n",
       "      <th>Na_A_ideal</th>\n",
       "      <th>K_A_ideal</th>\n",
       "      <th>FeO_Eq8_Zhang17</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>49.655108</td>\n",
       "      <td>59.333654</td>\n",
       "      <td>60.645146</td>\n",
       "      <td>56.117080</td>\n",
       "      <td>0.685874</td>\n",
       "      <td>56.992424</td>\n",
       "      <td>5.586412</td>\n",
       "      <td>0.649426</td>\n",
       "      <td>2.128936</td>\n",
       "      <td>6.437242</td>\n",
       "      <td>4.935349</td>\n",
       "      <td>2.378780</td>\n",
       "      <td>2.334718</td>\n",
       "      <td>17.886312</td>\n",
       "      <td>6.221705</td>\n",
       "      <td>2.781062</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.645305</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>2.267423</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.223362</td>\n",
       "      <td>15.093357</td>\n",
       "      <td>15.909602</td>\n",
       "      <td>0.639036</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>1.911747</td>\n",
       "      <td>0.355676</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.454991</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.190314</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.723444</td>\n",
       "      <td>2.093357</td>\n",
       "      <td>0.816245</td>\n",
       "      <td>0.957433</td>\n",
       "      <td>0.953381</td>\n",
       "      <td>0.861306</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>1.314006</td>\n",
       "      <td>1.005682</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>0.979641</td>\n",
       "      <td>5.964303</td>\n",
       "      <td>2.035697</td>\n",
       "      <td>0</td>\n",
       "      <td>0.185564</td>\n",
       "      <td>0.270926</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.936506</td>\n",
       "      <td>2.853476</td>\n",
       "      <td>0.675302</td>\n",
       "      <td>0.032375</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.831924</td>\n",
       "      <td>0.168076</td>\n",
       "      <td>0.459007</td>\n",
       "      <td>0.172544</td>\n",
       "      <td>5.949181</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>51.515902</td>\n",
       "      <td>70.902522</td>\n",
       "      <td>70.515408</td>\n",
       "      <td>66.223315</td>\n",
       "      <td>0.273132</td>\n",
       "      <td>66.974467</td>\n",
       "      <td>2.250664</td>\n",
       "      <td>0.246485</td>\n",
       "      <td>0.846023</td>\n",
       "      <td>3.285068</td>\n",
       "      <td>3.603327</td>\n",
       "      <td>1.974113</td>\n",
       "      <td>2.730521</td>\n",
       "      <td>17.962779</td>\n",
       "      <td>9.282463</td>\n",
       "      <td>1.956064</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.607585</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>2.064811</td>\n",
       "      <td>0.641619</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.038803</td>\n",
       "      <td>14.940276</td>\n",
       "      <td>15.737104</td>\n",
       "      <td>0.630022</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>1.600492</td>\n",
       "      <td>0.464319</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.568782</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.038803</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.059724</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>0.581894</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.770603</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.737104</td>\n",
       "      <td>0.945144</td>\n",
       "      <td>0.962656</td>\n",
       "      <td>0.870131</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>1.250096</td>\n",
       "      <td>1.016705</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>0.983116</td>\n",
       "      <td>6.291461</td>\n",
       "      <td>1.708539</td>\n",
       "      <td>0</td>\n",
       "      <td>0.321410</td>\n",
       "      <td>0.225524</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.776650</td>\n",
       "      <td>2.691284</td>\n",
       "      <td>0.803792</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869369</td>\n",
       "      <td>0.130631</td>\n",
       "      <td>0.500154</td>\n",
       "      <td>0.152589</td>\n",
       "      <td>2.686836</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>49.243987</td>\n",
       "      <td>51.363763</td>\n",
       "      <td>52.107144</td>\n",
       "      <td>50.932554</td>\n",
       "      <td>1.245742</td>\n",
       "      <td>51.883607</td>\n",
       "      <td>11.372546</td>\n",
       "      <td>1.191996</td>\n",
       "      <td>3.023436</td>\n",
       "      <td>7.405270</td>\n",
       "      <td>5.178338</td>\n",
       "      <td>2.916734</td>\n",
       "      <td>2.438641</td>\n",
       "      <td>17.480366</td>\n",
       "      <td>4.148120</td>\n",
       "      <td>2.869497</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.837141</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>2.312188</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.382545</td>\n",
       "      <td>15.166623</td>\n",
       "      <td>16.020715</td>\n",
       "      <td>0.613693</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.108948</td>\n",
       "      <td>0.203240</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.517434</td>\n",
       "      <td>0</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.319708</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.642444</td>\n",
       "      <td>2.166623</td>\n",
       "      <td>0.854092</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.948533</td>\n",
       "      <td>0.857145</td>\n",
       "      <td>0.961596</td>\n",
       "      <td>1.357992</td>\n",
       "      <td>0.998707</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.982119</td>\n",
       "      <td>5.785715</td>\n",
       "      <td>2.214285</td>\n",
       "      <td>0</td>\n",
       "      <td>0.056559</td>\n",
       "      <td>0.351162</td>\n",
       "      <td>0.003200</td>\n",
       "      <td>0.822521</td>\n",
       "      <td>2.866326</td>\n",
       "      <td>0.900231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.08154</td>\n",
       "      <td>0.061714</td>\n",
       "      <td>1.752177</td>\n",
       "      <td>0.104570</td>\n",
       "      <td>0.531135</td>\n",
       "      <td>0.203115</td>\n",
       "      <td>9.665180</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>52.572962</td>\n",
       "      <td>60.687647</td>\n",
       "      <td>62.268993</td>\n",
       "      <td>61.703644</td>\n",
       "      <td>0.690791</td>\n",
       "      <td>62.475868</td>\n",
       "      <td>4.614921</td>\n",
       "      <td>0.652253</td>\n",
       "      <td>1.239917</td>\n",
       "      <td>5.309611</td>\n",
       "      <td>3.706322</td>\n",
       "      <td>3.330558</td>\n",
       "      <td>2.619149</td>\n",
       "      <td>16.370036</td>\n",
       "      <td>4.303575</td>\n",
       "      <td>2.046019</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.632744</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>1.949713</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.240963</td>\n",
       "      <td>15.008675</td>\n",
       "      <td>15.845238</td>\n",
       "      <td>0.648361</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>1.710687</td>\n",
       "      <td>0.239025</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.441011</td>\n",
       "      <td>0</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.191732</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.691715</td>\n",
       "      <td>2.008675</td>\n",
       "      <td>0.836562</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.957572</td>\n",
       "      <td>0.866166</td>\n",
       "      <td>0.965722</td>\n",
       "      <td>1.271999</td>\n",
       "      <td>1.009767</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.985205</td>\n",
       "      <td>6.196264</td>\n",
       "      <td>1.803736</td>\n",
       "      <td>0</td>\n",
       "      <td>0.117131</td>\n",
       "      <td>0.303724</td>\n",
       "      <td>0.001161</td>\n",
       "      <td>0.680556</td>\n",
       "      <td>2.965960</td>\n",
       "      <td>0.928032</td>\n",
       "      <td>0.003435</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.045067</td>\n",
       "      <td>1.741559</td>\n",
       "      <td>0.213373</td>\n",
       "      <td>0.432862</td>\n",
       "      <td>0.177951</td>\n",
       "      <td>4.298402</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>53.104275</td>\n",
       "      <td>66.494122</td>\n",
       "      <td>68.100781</td>\n",
       "      <td>65.870371</td>\n",
       "      <td>0.454822</td>\n",
       "      <td>66.590674</td>\n",
       "      <td>2.915419</td>\n",
       "      <td>0.428619</td>\n",
       "      <td>0.863156</td>\n",
       "      <td>4.323992</td>\n",
       "      <td>3.348260</td>\n",
       "      <td>2.908677</td>\n",
       "      <td>2.620235</td>\n",
       "      <td>16.658488</td>\n",
       "      <td>5.642425</td>\n",
       "      <td>1.799559</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.569270</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>1.891861</td>\n",
       "      <td>0.646588</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.154038</td>\n",
       "      <td>14.932075</td>\n",
       "      <td>15.745582</td>\n",
       "      <td>0.652913</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>1.558411</td>\n",
       "      <td>0.333450</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.440910</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.128359</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.067925</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>0.578663</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.726348</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.745582</td>\n",
       "      <td>0.959987</td>\n",
       "      <td>0.962855</td>\n",
       "      <td>0.870609</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>1.241930</td>\n",
       "      <td>1.016158</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>0.983505</td>\n",
       "      <td>6.335338</td>\n",
       "      <td>1.664662</td>\n",
       "      <td>0</td>\n",
       "      <td>0.195993</td>\n",
       "      <td>0.269138</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.758750</td>\n",
       "      <td>2.903296</td>\n",
       "      <td>0.784635</td>\n",
       "      <td>0.025255</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.748709</td>\n",
       "      <td>0.251291</td>\n",
       "      <td>0.384632</td>\n",
       "      <td>0.164166</td>\n",
       "      <td>3.109003</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Eq10_Put2016  SiO2_Eq1_Zhang17  SiO2_Eq2_Zhang17  SiO2_Eq4_Zhang17  \\\n",
       "0          49.655108         59.333654         60.645146         56.117080   \n",
       "1          51.515902         70.902522         70.515408         66.223315   \n",
       "2          49.243987         51.363763         52.107144         50.932554   \n",
       "3          52.572962         60.687647         62.268993         61.703644   \n",
       "4          53.104275         66.494122         68.100781         65.870371   \n",
       "\n",
       "   TiO2_Eq6_Zhang17  SiO2_Eq3_Zhang17  FeO_Eq7_Zhang17  TiO2_Eq5_Zhang17  \\\n",
       "0          0.685874         56.992424         5.586412          0.649426   \n",
       "1          0.273132         66.974467         2.250664          0.246485   \n",
       "2          1.245742         51.883607        11.372546          1.191996   \n",
       "3          0.690791         62.475868         4.614921          0.652253   \n",
       "4          0.454822         66.590674         2.915419          0.428619   \n",
       "\n",
       "   MgO_Eq9_Zhang17  CaO_Eq10_Zhang17  CaO_Eq11_Zhang17  K2O_Eq12_Zhang17  \\\n",
       "0         2.128936          6.437242          4.935349          2.378780   \n",
       "1         0.846023          3.285068          3.603327          1.974113   \n",
       "2         3.023436          7.405270          5.178338          2.916734   \n",
       "3         1.239917          5.309611          3.706322          3.330558   \n",
       "4         0.863156          4.323992          3.348260          2.908677   \n",
       "\n",
       "   K2O_Eq13_Zhang17  Al2O3_Eq14_Zhang17  H2O_Ridolfi21  deltaNNO_Ridolfi21  \\\n",
       "0          2.334718           17.886312       6.221705            2.781062   \n",
       "1          2.730521           17.962779       9.282463            1.956064   \n",
       "2          2.438641           17.480366       4.148120            2.869497   \n",
       "3          2.619149           16.370036       4.303575            2.046019   \n",
       "4          2.620235           16.658488       5.642425            1.799559   \n",
       "\n",
       "   Si_Amp_cat_23ox  Mg_Amp_cat_23ox  Fet_Amp_cat_23ox  Ca_Amp_cat_23ox  \\\n",
       "0         6.088253         2.912777          1.645305         1.869995   \n",
       "1         6.399508         2.737503          1.607585         1.901472   \n",
       "2         5.891052         2.918512          1.837141         1.784078   \n",
       "3         6.289313         3.010500          1.632744         1.767712   \n",
       "4         6.441589         2.951988          1.569270         1.778037   \n",
       "\n",
       "   Al_Amp_cat_23ox  Na_Amp_cat_23ox  K_Amp_cat_23ox  Mn_Amp_cat_23ox  \\\n",
       "0         2.267423         0.640114        0.176130         0.033048   \n",
       "1         2.064811         0.641619        0.155210         0.000000   \n",
       "2         2.312188         0.647279        0.206813         0.062837   \n",
       "3         1.949713         0.655939        0.180623         0.049231   \n",
       "4         1.891861         0.646588        0.166919         0.025679   \n",
       "\n",
       "   Ti_Amp_cat_23ox  Cr_Amp_cat_23ox  oxy_renorm_factor  cation_sum_Si_Mg  \\\n",
       "0         0.276556         0.000000                0.0         13.223362   \n",
       "1         0.229397         0.000000                0.0         13.038803   \n",
       "2         0.357556         0.003258                0.0         13.382545   \n",
       "3         0.308285         0.001178                0.0         13.240963   \n",
       "4         0.273652         0.000000                0.0         13.154038   \n",
       "\n",
       "   cation_sum_Si_Ca  cation_sum_All  Mgno_Amp      Si_T      Al_T      Al_C  \\\n",
       "0         15.093357       15.909602  0.639036  6.088253  1.911747  0.355676   \n",
       "1         14.940276       15.737104  0.630022  6.399508  1.600492  0.464319   \n",
       "2         15.166623       16.020715  0.613693  5.891052  2.108948  0.203240   \n",
       "3         15.008675       15.845238  0.648361  6.289313  1.710687  0.239025   \n",
       "4         14.932075       15.745582  0.652913  6.441589  1.558411  0.333450   \n",
       "\n",
       "       Ti_C      Mg_C      Fe_C  Mn_C      Cr_C  Mg_B      Fe_B      Mn_B  \\\n",
       "0  0.276556  2.912777  1.454991     0  0.000000   0.0  0.190314  0.033048   \n",
       "1  0.229397  2.737503  1.568782     0  0.000000   0.0  0.038803  0.000000   \n",
       "2  0.357556  2.918512  1.517434     0  0.003258   0.0  0.319708  0.062837   \n",
       "3  0.308285  3.010500  1.441011     0  0.001178   0.0  0.191732  0.049231   \n",
       "4  0.273652  2.951988  1.440910     0  0.000000   0.0  0.128359  0.025679   \n",
       "\n",
       "       Na_B      Ca_B      Na_A       K_A  Ca_A  Sum_T     Sum_C     Sum_B  \\\n",
       "0  0.000000  1.869995  0.640114  0.176130     0    8.0  4.723444  2.093357   \n",
       "1  0.059724  1.901472  0.581894  0.155210     0    8.0  4.770603  2.000000   \n",
       "2  0.000000  1.784078  0.647279  0.206813     0    8.0  4.642444  2.166623   \n",
       "3  0.000000  1.767712  0.655939  0.180623     0    8.0  4.691715  2.008675   \n",
       "4  0.067925  1.778037  0.578663  0.166919     0    8.0  4.726348  2.000000   \n",
       "\n",
       "      Sum_A  factor_8SiAl  factor_15eK  factor_13eCNK  All ferric   8Si_Min  \\\n",
       "0  0.816245      0.957433     0.953381       0.861306    0.965468  1.314006   \n",
       "1  0.737104      0.945144     0.962656       0.870131    0.966233  1.250096   \n",
       "2  0.854092      0.975224     0.948533       0.857145    0.961596  1.357992   \n",
       "3  0.836562      0.970989     0.957572       0.866166    0.965722  1.271999   \n",
       "4  0.745582      0.959987     0.962855       0.870609    0.967011  1.241930   \n",
       "\n",
       "   16CAT_Min  15eNK_Min  Min_MinFactor  Min_factor  Max_factor  Av_factor  \\\n",
       "0   1.005682   0.993815       0.993815    0.993815    0.965468   0.979641   \n",
       "1   1.016705   1.003998       1.003998    1.000000    0.966233   0.983116   \n",
       "2   0.998707   0.989014       0.989014    0.989014    0.975224   0.982119   \n",
       "3   1.009767   0.999422       0.999422    0.999422    0.970989   0.985205   \n",
       "4   1.016158   1.004549       1.004549    1.000000    0.967011   0.983505   \n",
       "\n",
       "   Si_T_ideal  Al_IV_T_ideal  Ti_T_ideal  Al_VI_C_ideal  Ti_C_ideal  \\\n",
       "0    5.964303       2.035697           0       0.185564    0.270926   \n",
       "1    6.291461       1.708539           0       0.321410    0.225524   \n",
       "2    5.785715       2.214285           0       0.056559    0.351162   \n",
       "3    6.196264       1.803736           0       0.117131    0.303724   \n",
       "4    6.335338       1.664662           0       0.195993    0.269138   \n",
       "\n",
       "   Cr_C_ideal  Fe3_C_ideal  Mg_C_ideal  Fe2_C_ideal  Mn_C_ideal  Mg_B_ideal  \\\n",
       "0    0.000000     0.936506    2.853476     0.675302    0.032375           0   \n",
       "1    0.000000     0.776650    2.691284     0.803792    0.000000           0   \n",
       "2    0.003200     0.822521    2.866326     0.900231    0.000000           0   \n",
       "3    0.001161     0.680556    2.965960     0.928032    0.003435           0   \n",
       "4    0.000000     0.758750    2.903296     0.784635    0.025255           0   \n",
       "\n",
       "   Fe2_B_ideal  Mn_B_ideal  Ca_B_ideal  Na_B_ideal  Na_A_ideal  K_A_ideal  \\\n",
       "0      0.00000    0.000000    1.831924    0.168076    0.459007   0.172544   \n",
       "1      0.00000    0.000000    1.869369    0.130631    0.500154   0.152589   \n",
       "2      0.08154    0.061714    1.752177    0.104570    0.531135   0.203115   \n",
       "3      0.00000    0.045067    1.741559    0.213373    0.432862   0.177951   \n",
       "4      0.00000    0.000000    1.748709    0.251291    0.384632   0.164166   \n",
       "\n",
       "   FeO_Eq8_Zhang17  \n",
       "0         5.949181  \n",
       "1         2.686836  \n",
       "2         9.665180  \n",
       "3         4.298402  \n",
       "4         3.109003  "
      ]
     },
     "execution_count": 29,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Melt_Comps2=pt.calculate_amp_only_melt_comps(amp_comps=Amps, T=1300)\n",
    "Melt_Comps2.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "302bf388-9c59-4674-99b5-f9f42ffe1de6",
   "metadata": {},
   "source": [
    "### Or, we can use an amphibole only thermobarometers to get temperature, to then feed into the chemometry function"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "70778bb2-fa4b-4b2a-85d6-a3cf6d805b80",
   "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_Eq10_Put2016</th>\n",
       "      <th>SiO2_Eq1_Zhang17</th>\n",
       "      <th>SiO2_Eq2_Zhang17</th>\n",
       "      <th>SiO2_Eq4_Zhang17</th>\n",
       "      <th>TiO2_Eq6_Zhang17</th>\n",
       "      <th>SiO2_Eq3_Zhang17</th>\n",
       "      <th>FeO_Eq7_Zhang17</th>\n",
       "      <th>TiO2_Eq5_Zhang17</th>\n",
       "      <th>MgO_Eq9_Zhang17</th>\n",
       "      <th>CaO_Eq10_Zhang17</th>\n",
       "      <th>CaO_Eq11_Zhang17</th>\n",
       "      <th>K2O_Eq12_Zhang17</th>\n",
       "      <th>K2O_Eq13_Zhang17</th>\n",
       "      <th>Al2O3_Eq14_Zhang17</th>\n",
       "      <th>H2O_Ridolfi21</th>\n",
       "      <th>deltaNNO_Ridolfi21</th>\n",
       "      <th>Si_Amp_cat_23ox</th>\n",
       "      <th>Mg_Amp_cat_23ox</th>\n",
       "      <th>Fet_Amp_cat_23ox</th>\n",
       "      <th>Ca_Amp_cat_23ox</th>\n",
       "      <th>Al_Amp_cat_23ox</th>\n",
       "      <th>Na_Amp_cat_23ox</th>\n",
       "      <th>K_Amp_cat_23ox</th>\n",
       "      <th>Mn_Amp_cat_23ox</th>\n",
       "      <th>Ti_Amp_cat_23ox</th>\n",
       "      <th>Cr_Amp_cat_23ox</th>\n",
       "      <th>oxy_renorm_factor</th>\n",
       "      <th>cation_sum_Si_Mg</th>\n",
       "      <th>cation_sum_Si_Ca</th>\n",
       "      <th>cation_sum_All</th>\n",
       "      <th>Mgno_Amp</th>\n",
       "      <th>Si_T</th>\n",
       "      <th>Al_T</th>\n",
       "      <th>Al_C</th>\n",
       "      <th>Ti_C</th>\n",
       "      <th>Mg_C</th>\n",
       "      <th>Fe_C</th>\n",
       "      <th>Mn_C</th>\n",
       "      <th>Cr_C</th>\n",
       "      <th>Mg_B</th>\n",
       "      <th>Fe_B</th>\n",
       "      <th>Mn_B</th>\n",
       "      <th>Na_B</th>\n",
       "      <th>Ca_B</th>\n",
       "      <th>Na_A</th>\n",
       "      <th>K_A</th>\n",
       "      <th>Ca_A</th>\n",
       "      <th>Sum_T</th>\n",
       "      <th>Sum_C</th>\n",
       "      <th>Sum_B</th>\n",
       "      <th>Sum_A</th>\n",
       "      <th>factor_8SiAl</th>\n",
       "      <th>factor_15eK</th>\n",
       "      <th>factor_13eCNK</th>\n",
       "      <th>All ferric</th>\n",
       "      <th>8Si_Min</th>\n",
       "      <th>16CAT_Min</th>\n",
       "      <th>15eNK_Min</th>\n",
       "      <th>Min_MinFactor</th>\n",
       "      <th>Min_factor</th>\n",
       "      <th>Max_factor</th>\n",
       "      <th>Av_factor</th>\n",
       "      <th>Si_T_ideal</th>\n",
       "      <th>Al_IV_T_ideal</th>\n",
       "      <th>Ti_T_ideal</th>\n",
       "      <th>Al_VI_C_ideal</th>\n",
       "      <th>Ti_C_ideal</th>\n",
       "      <th>Cr_C_ideal</th>\n",
       "      <th>Fe3_C_ideal</th>\n",
       "      <th>Mg_C_ideal</th>\n",
       "      <th>Fe2_C_ideal</th>\n",
       "      <th>Mn_C_ideal</th>\n",
       "      <th>Mg_B_ideal</th>\n",
       "      <th>Fe2_B_ideal</th>\n",
       "      <th>Mn_B_ideal</th>\n",
       "      <th>Ca_B_ideal</th>\n",
       "      <th>Na_B_ideal</th>\n",
       "      <th>Na_A_ideal</th>\n",
       "      <th>K_A_ideal</th>\n",
       "      <th>FeO_Eq8_Zhang17</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>59.262728</td>\n",
       "      <td>59.333654</td>\n",
       "      <td>60.645146</td>\n",
       "      <td>56.117080</td>\n",
       "      <td>0.685874</td>\n",
       "      <td>56.082183</td>\n",
       "      <td>5.586412</td>\n",
       "      <td>0.713445</td>\n",
       "      <td>2.128936</td>\n",
       "      <td>6.437242</td>\n",
       "      <td>4.935349</td>\n",
       "      <td>2.378780</td>\n",
       "      <td>2.334718</td>\n",
       "      <td>17.886312</td>\n",
       "      <td>6.221705</td>\n",
       "      <td>2.781062</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.645305</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>2.267423</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.223362</td>\n",
       "      <td>15.093357</td>\n",
       "      <td>15.909602</td>\n",
       "      <td>0.639036</td>\n",
       "      <td>6.088253</td>\n",
       "      <td>1.911747</td>\n",
       "      <td>0.355676</td>\n",
       "      <td>0.276556</td>\n",
       "      <td>2.912777</td>\n",
       "      <td>1.454991</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.190314</td>\n",
       "      <td>0.033048</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869995</td>\n",
       "      <td>0.640114</td>\n",
       "      <td>0.176130</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.723444</td>\n",
       "      <td>2.093357</td>\n",
       "      <td>0.816245</td>\n",
       "      <td>0.957433</td>\n",
       "      <td>0.953381</td>\n",
       "      <td>0.861306</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>1.314006</td>\n",
       "      <td>1.005682</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.993815</td>\n",
       "      <td>0.965468</td>\n",
       "      <td>0.979641</td>\n",
       "      <td>5.964303</td>\n",
       "      <td>2.035697</td>\n",
       "      <td>0</td>\n",
       "      <td>0.185564</td>\n",
       "      <td>0.270926</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.936506</td>\n",
       "      <td>2.853476</td>\n",
       "      <td>0.675302</td>\n",
       "      <td>0.032375</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.831924</td>\n",
       "      <td>0.168076</td>\n",
       "      <td>0.459007</td>\n",
       "      <td>0.172544</td>\n",
       "      <td>5.949181</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>NaN</td>\n",
       "      <td>70.902522</td>\n",
       "      <td>70.515408</td>\n",
       "      <td>66.223315</td>\n",
       "      <td>0.273132</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2.250664</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.846023</td>\n",
       "      <td>3.285068</td>\n",
       "      <td>3.603327</td>\n",
       "      <td>1.974113</td>\n",
       "      <td>2.730521</td>\n",
       "      <td>17.962779</td>\n",
       "      <td>9.282463</td>\n",
       "      <td>1.956064</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.607585</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>2.064811</td>\n",
       "      <td>0.641619</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.038803</td>\n",
       "      <td>14.940276</td>\n",
       "      <td>15.737104</td>\n",
       "      <td>0.630022</td>\n",
       "      <td>6.399508</td>\n",
       "      <td>1.600492</td>\n",
       "      <td>0.464319</td>\n",
       "      <td>0.229397</td>\n",
       "      <td>2.737503</td>\n",
       "      <td>1.568782</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.038803</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.059724</td>\n",
       "      <td>1.901472</td>\n",
       "      <td>0.581894</td>\n",
       "      <td>0.155210</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.770603</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.737104</td>\n",
       "      <td>0.945144</td>\n",
       "      <td>0.962656</td>\n",
       "      <td>0.870131</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>1.250096</td>\n",
       "      <td>1.016705</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.003998</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.966233</td>\n",
       "      <td>0.983116</td>\n",
       "      <td>6.291461</td>\n",
       "      <td>1.708539</td>\n",
       "      <td>0</td>\n",
       "      <td>0.321410</td>\n",
       "      <td>0.225524</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.776650</td>\n",
       "      <td>2.691284</td>\n",
       "      <td>0.803792</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.869369</td>\n",
       "      <td>0.130631</td>\n",
       "      <td>0.500154</td>\n",
       "      <td>0.152589</td>\n",
       "      <td>2.686836</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>50.680338</td>\n",
       "      <td>51.363763</td>\n",
       "      <td>52.107144</td>\n",
       "      <td>50.932554</td>\n",
       "      <td>1.245742</td>\n",
       "      <td>51.769071</td>\n",
       "      <td>11.372546</td>\n",
       "      <td>1.206181</td>\n",
       "      <td>3.023436</td>\n",
       "      <td>7.405270</td>\n",
       "      <td>5.178338</td>\n",
       "      <td>2.916734</td>\n",
       "      <td>2.438641</td>\n",
       "      <td>17.480366</td>\n",
       "      <td>4.148120</td>\n",
       "      <td>2.869497</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.837141</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>2.312188</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.382545</td>\n",
       "      <td>15.166623</td>\n",
       "      <td>16.020715</td>\n",
       "      <td>0.613693</td>\n",
       "      <td>5.891052</td>\n",
       "      <td>2.108948</td>\n",
       "      <td>0.203240</td>\n",
       "      <td>0.357556</td>\n",
       "      <td>2.918512</td>\n",
       "      <td>1.517434</td>\n",
       "      <td>0</td>\n",
       "      <td>0.003258</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.319708</td>\n",
       "      <td>0.062837</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.784078</td>\n",
       "      <td>0.647279</td>\n",
       "      <td>0.206813</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.642444</td>\n",
       "      <td>2.166623</td>\n",
       "      <td>0.854092</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.948533</td>\n",
       "      <td>0.857145</td>\n",
       "      <td>0.961596</td>\n",
       "      <td>1.357992</td>\n",
       "      <td>0.998707</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.989014</td>\n",
       "      <td>0.975224</td>\n",
       "      <td>0.982119</td>\n",
       "      <td>5.785715</td>\n",
       "      <td>2.214285</td>\n",
       "      <td>0</td>\n",
       "      <td>0.056559</td>\n",
       "      <td>0.351162</td>\n",
       "      <td>0.003200</td>\n",
       "      <td>0.822521</td>\n",
       "      <td>2.866326</td>\n",
       "      <td>0.900231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0</td>\n",
       "      <td>0.08154</td>\n",
       "      <td>0.061714</td>\n",
       "      <td>1.752177</td>\n",
       "      <td>0.104570</td>\n",
       "      <td>0.531135</td>\n",
       "      <td>0.203115</td>\n",
       "      <td>9.665180</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>62.370970</td>\n",
       "      <td>60.687647</td>\n",
       "      <td>62.268993</td>\n",
       "      <td>61.703644</td>\n",
       "      <td>0.690791</td>\n",
       "      <td>61.541928</td>\n",
       "      <td>4.614921</td>\n",
       "      <td>0.718307</td>\n",
       "      <td>1.239917</td>\n",
       "      <td>5.309611</td>\n",
       "      <td>3.706322</td>\n",
       "      <td>3.330558</td>\n",
       "      <td>2.619149</td>\n",
       "      <td>16.370036</td>\n",
       "      <td>4.303575</td>\n",
       "      <td>2.046019</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.632744</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>1.949713</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.240963</td>\n",
       "      <td>15.008675</td>\n",
       "      <td>15.845238</td>\n",
       "      <td>0.648361</td>\n",
       "      <td>6.289313</td>\n",
       "      <td>1.710687</td>\n",
       "      <td>0.239025</td>\n",
       "      <td>0.308285</td>\n",
       "      <td>3.010500</td>\n",
       "      <td>1.441011</td>\n",
       "      <td>0</td>\n",
       "      <td>0.001178</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.191732</td>\n",
       "      <td>0.049231</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.767712</td>\n",
       "      <td>0.655939</td>\n",
       "      <td>0.180623</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.691715</td>\n",
       "      <td>2.008675</td>\n",
       "      <td>0.836562</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.957572</td>\n",
       "      <td>0.866166</td>\n",
       "      <td>0.965722</td>\n",
       "      <td>1.271999</td>\n",
       "      <td>1.009767</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.999422</td>\n",
       "      <td>0.970989</td>\n",
       "      <td>0.985205</td>\n",
       "      <td>6.196264</td>\n",
       "      <td>1.803736</td>\n",
       "      <td>0</td>\n",
       "      <td>0.117131</td>\n",
       "      <td>0.303724</td>\n",
       "      <td>0.001161</td>\n",
       "      <td>0.680556</td>\n",
       "      <td>2.965960</td>\n",
       "      <td>0.928032</td>\n",
       "      <td>0.003435</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.045067</td>\n",
       "      <td>1.741559</td>\n",
       "      <td>0.213373</td>\n",
       "      <td>0.432862</td>\n",
       "      <td>0.177951</td>\n",
       "      <td>4.298402</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>66.077116</td>\n",
       "      <td>66.494122</td>\n",
       "      <td>68.100781</td>\n",
       "      <td>65.870371</td>\n",
       "      <td>0.454822</td>\n",
       "      <td>65.162647</td>\n",
       "      <td>2.915419</td>\n",
       "      <td>0.496739</td>\n",
       "      <td>0.863156</td>\n",
       "      <td>4.323992</td>\n",
       "      <td>3.348260</td>\n",
       "      <td>2.908677</td>\n",
       "      <td>2.620235</td>\n",
       "      <td>16.658488</td>\n",
       "      <td>5.642425</td>\n",
       "      <td>1.799559</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.569270</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>1.891861</td>\n",
       "      <td>0.646588</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.154038</td>\n",
       "      <td>14.932075</td>\n",
       "      <td>15.745582</td>\n",
       "      <td>0.652913</td>\n",
       "      <td>6.441589</td>\n",
       "      <td>1.558411</td>\n",
       "      <td>0.333450</td>\n",
       "      <td>0.273652</td>\n",
       "      <td>2.951988</td>\n",
       "      <td>1.440910</td>\n",
       "      <td>0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.128359</td>\n",
       "      <td>0.025679</td>\n",
       "      <td>0.067925</td>\n",
       "      <td>1.778037</td>\n",
       "      <td>0.578663</td>\n",
       "      <td>0.166919</td>\n",
       "      <td>0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>4.726348</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>0.745582</td>\n",
       "      <td>0.959987</td>\n",
       "      <td>0.962855</td>\n",
       "      <td>0.870609</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>1.241930</td>\n",
       "      <td>1.016158</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.004549</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>0.967011</td>\n",
       "      <td>0.983505</td>\n",
       "      <td>6.335338</td>\n",
       "      <td>1.664662</td>\n",
       "      <td>0</td>\n",
       "      <td>0.195993</td>\n",
       "      <td>0.269138</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.758750</td>\n",
       "      <td>2.903296</td>\n",
       "      <td>0.784635</td>\n",
       "      <td>0.025255</td>\n",
       "      <td>0</td>\n",
       "      <td>0.00000</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>1.748709</td>\n",
       "      <td>0.251291</td>\n",
       "      <td>0.384632</td>\n",
       "      <td>0.164166</td>\n",
       "      <td>3.109003</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   SiO2_Eq10_Put2016  SiO2_Eq1_Zhang17  SiO2_Eq2_Zhang17  SiO2_Eq4_Zhang17  \\\n",
       "0          59.262728         59.333654         60.645146         56.117080   \n",
       "1                NaN         70.902522         70.515408         66.223315   \n",
       "2          50.680338         51.363763         52.107144         50.932554   \n",
       "3          62.370970         60.687647         62.268993         61.703644   \n",
       "4          66.077116         66.494122         68.100781         65.870371   \n",
       "\n",
       "   TiO2_Eq6_Zhang17  SiO2_Eq3_Zhang17  FeO_Eq7_Zhang17  TiO2_Eq5_Zhang17  \\\n",
       "0          0.685874         56.082183         5.586412          0.713445   \n",
       "1          0.273132               NaN         2.250664               NaN   \n",
       "2          1.245742         51.769071        11.372546          1.206181   \n",
       "3          0.690791         61.541928         4.614921          0.718307   \n",
       "4          0.454822         65.162647         2.915419          0.496739   \n",
       "\n",
       "   MgO_Eq9_Zhang17  CaO_Eq10_Zhang17  CaO_Eq11_Zhang17  K2O_Eq12_Zhang17  \\\n",
       "0         2.128936          6.437242          4.935349          2.378780   \n",
       "1         0.846023          3.285068          3.603327          1.974113   \n",
       "2         3.023436          7.405270          5.178338          2.916734   \n",
       "3         1.239917          5.309611          3.706322          3.330558   \n",
       "4         0.863156          4.323992          3.348260          2.908677   \n",
       "\n",
       "   K2O_Eq13_Zhang17  Al2O3_Eq14_Zhang17  H2O_Ridolfi21  deltaNNO_Ridolfi21  \\\n",
       "0          2.334718           17.886312       6.221705            2.781062   \n",
       "1          2.730521           17.962779       9.282463            1.956064   \n",
       "2          2.438641           17.480366       4.148120            2.869497   \n",
       "3          2.619149           16.370036       4.303575            2.046019   \n",
       "4          2.620235           16.658488       5.642425            1.799559   \n",
       "\n",
       "   Si_Amp_cat_23ox  Mg_Amp_cat_23ox  Fet_Amp_cat_23ox  Ca_Amp_cat_23ox  \\\n",
       "0         6.088253         2.912777          1.645305         1.869995   \n",
       "1         6.399508         2.737503          1.607585         1.901472   \n",
       "2         5.891052         2.918512          1.837141         1.784078   \n",
       "3         6.289313         3.010500          1.632744         1.767712   \n",
       "4         6.441589         2.951988          1.569270         1.778037   \n",
       "\n",
       "   Al_Amp_cat_23ox  Na_Amp_cat_23ox  K_Amp_cat_23ox  Mn_Amp_cat_23ox  \\\n",
       "0         2.267423         0.640114        0.176130         0.033048   \n",
       "1         2.064811         0.641619        0.155210         0.000000   \n",
       "2         2.312188         0.647279        0.206813         0.062837   \n",
       "3         1.949713         0.655939        0.180623         0.049231   \n",
       "4         1.891861         0.646588        0.166919         0.025679   \n",
       "\n",
       "   Ti_Amp_cat_23ox  Cr_Amp_cat_23ox  oxy_renorm_factor  cation_sum_Si_Mg  \\\n",
       "0         0.276556         0.000000                0.0         13.223362   \n",
       "1         0.229397         0.000000                0.0         13.038803   \n",
       "2         0.357556         0.003258                0.0         13.382545   \n",
       "3         0.308285         0.001178                0.0         13.240963   \n",
       "4         0.273652         0.000000                0.0         13.154038   \n",
       "\n",
       "   cation_sum_Si_Ca  cation_sum_All  Mgno_Amp      Si_T      Al_T      Al_C  \\\n",
       "0         15.093357       15.909602  0.639036  6.088253  1.911747  0.355676   \n",
       "1         14.940276       15.737104  0.630022  6.399508  1.600492  0.464319   \n",
       "2         15.166623       16.020715  0.613693  5.891052  2.108948  0.203240   \n",
       "3         15.008675       15.845238  0.648361  6.289313  1.710687  0.239025   \n",
       "4         14.932075       15.745582  0.652913  6.441589  1.558411  0.333450   \n",
       "\n",
       "       Ti_C      Mg_C      Fe_C  Mn_C      Cr_C  Mg_B      Fe_B      Mn_B  \\\n",
       "0  0.276556  2.912777  1.454991     0  0.000000   0.0  0.190314  0.033048   \n",
       "1  0.229397  2.737503  1.568782     0  0.000000   0.0  0.038803  0.000000   \n",
       "2  0.357556  2.918512  1.517434     0  0.003258   0.0  0.319708  0.062837   \n",
       "3  0.308285  3.010500  1.441011     0  0.001178   0.0  0.191732  0.049231   \n",
       "4  0.273652  2.951988  1.440910     0  0.000000   0.0  0.128359  0.025679   \n",
       "\n",
       "       Na_B      Ca_B      Na_A       K_A  Ca_A  Sum_T     Sum_C     Sum_B  \\\n",
       "0  0.000000  1.869995  0.640114  0.176130     0    8.0  4.723444  2.093357   \n",
       "1  0.059724  1.901472  0.581894  0.155210     0    8.0  4.770603  2.000000   \n",
       "2  0.000000  1.784078  0.647279  0.206813     0    8.0  4.642444  2.166623   \n",
       "3  0.000000  1.767712  0.655939  0.180623     0    8.0  4.691715  2.008675   \n",
       "4  0.067925  1.778037  0.578663  0.166919     0    8.0  4.726348  2.000000   \n",
       "\n",
       "      Sum_A  factor_8SiAl  factor_15eK  factor_13eCNK  All ferric   8Si_Min  \\\n",
       "0  0.816245      0.957433     0.953381       0.861306    0.965468  1.314006   \n",
       "1  0.737104      0.945144     0.962656       0.870131    0.966233  1.250096   \n",
       "2  0.854092      0.975224     0.948533       0.857145    0.961596  1.357992   \n",
       "3  0.836562      0.970989     0.957572       0.866166    0.965722  1.271999   \n",
       "4  0.745582      0.959987     0.962855       0.870609    0.967011  1.241930   \n",
       "\n",
       "   16CAT_Min  15eNK_Min  Min_MinFactor  Min_factor  Max_factor  Av_factor  \\\n",
       "0   1.005682   0.993815       0.993815    0.993815    0.965468   0.979641   \n",
       "1   1.016705   1.003998       1.003998    1.000000    0.966233   0.983116   \n",
       "2   0.998707   0.989014       0.989014    0.989014    0.975224   0.982119   \n",
       "3   1.009767   0.999422       0.999422    0.999422    0.970989   0.985205   \n",
       "4   1.016158   1.004549       1.004549    1.000000    0.967011   0.983505   \n",
       "\n",
       "   Si_T_ideal  Al_IV_T_ideal  Ti_T_ideal  Al_VI_C_ideal  Ti_C_ideal  \\\n",
       "0    5.964303       2.035697           0       0.185564    0.270926   \n",
       "1    6.291461       1.708539           0       0.321410    0.225524   \n",
       "2    5.785715       2.214285           0       0.056559    0.351162   \n",
       "3    6.196264       1.803736           0       0.117131    0.303724   \n",
       "4    6.335338       1.664662           0       0.195993    0.269138   \n",
       "\n",
       "   Cr_C_ideal  Fe3_C_ideal  Mg_C_ideal  Fe2_C_ideal  Mn_C_ideal  Mg_B_ideal  \\\n",
       "0    0.000000     0.936506    2.853476     0.675302    0.032375           0   \n",
       "1    0.000000     0.776650    2.691284     0.803792    0.000000           0   \n",
       "2    0.003200     0.822521    2.866326     0.900231    0.000000           0   \n",
       "3    0.001161     0.680556    2.965960     0.928032    0.003435           0   \n",
       "4    0.000000     0.758750    2.903296     0.784635    0.025255           0   \n",
       "\n",
       "   Fe2_B_ideal  Mn_B_ideal  Ca_B_ideal  Na_B_ideal  Na_A_ideal  K_A_ideal  \\\n",
       "0      0.00000    0.000000    1.831924    0.168076    0.459007   0.172544   \n",
       "1      0.00000    0.000000    1.869369    0.130631    0.500154   0.152589   \n",
       "2      0.08154    0.061714    1.752177    0.104570    0.531135   0.203115   \n",
       "3      0.00000    0.045067    1.741559    0.213373    0.432862   0.177951   \n",
       "4      0.00000    0.000000    1.748709    0.251291    0.384632   0.164166   \n",
       "\n",
       "   FeO_Eq8_Zhang17  \n",
       "0         5.949181  \n",
       "1         2.686836  \n",
       "2         9.665180  \n",
       "3         4.298402  \n",
       "4         3.109003  "
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "PT_Rid=pt.calculate_amp_only_press_temp(amp_comps=Amps, equationP=\"P_Ridolfi2021\", \n",
    "                                        equationT=\"T_Ridolfi2012\", Ridolfi_Filter=False)\n",
    "Melt_Comps3=pt.calculate_amp_only_melt_comps(amp_comps=Amps, T=PT_Rid['T_K_calc'])\n",
    "Melt_Comps3.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1883bfd0-7ec7-400c-82fe-181de50fe456",
   "metadata": {},
   "source": [
    "## Comparing calculated melts from different equations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "6c5826a2-4254-45a1-824c-614237e97b7b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[<matplotlib.lines.Line2D at 0x19d79e96190>]"
      ]
     },
     "execution_count": 31,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 720x360 with 2 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(10,5))\n",
    "ax1.plot(Melt_Comps3['SiO2_Eq1_Zhang17'], Melt_Comps3['SiO2_Eq10_Put2016'], 'ok')\n",
    "ax1.set_xlabel('SiO$_2$ wt% Eq 1 Zhang17')\n",
    "ax1.set_ylabel('SiO$_2$ wt% Eq 10 Putirka 2016')\n",
    "\n",
    "ax2.plot(Melt_Comps3['SiO2_Eq1_Zhang17'], Melt_Comps3['TiO2_Eq6_Zhang17'], 'ok')\n",
    "ax2.set_xlabel('SiO$_2$ wt% Eq 1 Zhang17')\n",
    "ax2.set_ylabel('TiO$_2$ wt% Eq 6 Zhang17')\n",
    "\n",
    "ax1.plot([50, 85], [50, 85], '-r')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "d988f2a5-7b89-45cf-bf47-59f57ffd42bd",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3 (ipykernel)",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.9.12"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}