Correct inversion example in docs

sarahshi · Jul 11, 2024 · bed2fb4 · bed2fb4
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diff --git a/docs/examples/inversion/AllEpsilonRegress.pdf b/docs/examples/inversion/AllEpsilonRegress.pdf
diff --git a/docs/examples/inversion/EpsilonRegression.xlsx b/docs/examples/inversion/EpsilonRegression.xlsx
diff --git a/docs/examples/inversion/PyIRoGlass_Inversion.ipynb b/docs/examples/inversion/PyIRoGlass_Inversion.ipynb
@@ -218,23 +218,23 @@
     "\n",
     "mest_5200, covm_est_5200, covepsilon_5200 = pig.inversion(tau_5200, epsilon_5200, sigma_tau_5200, sigma_epsilon_5200, intercept_zero=False)\n",
     "mls_5200, covls_5200 = pig.least_squares(tau_5200, epsilon_5200, sigma_epsilon_5200)\n",
-    "E_calib_5200, see_5200, r2_5200, rmse_5200, rrmse_5200, ccc_5200 = pig.inversion_fit_errors(tau_5200, epsilon_5200, mest_5200, covm_est_5200, covepsilon_5200)\n",
+    "E_calib_5200, see_5200, r2_5200, rmse_5200, rrmse_5200, ccc_5200 = pig.inversion_fit_errors(tau_5200, epsilon_5200, mest_5200, covepsilon_5200)\n",
     "\n",
     "mest_4500, covm_est_4500, covepsilon_4500 = pig.inversion(tau_4500, epsilon_4500, sigma_tau_4500, sigma_epsilon_4500, intercept_zero=False)\n",
     "mls_4500, covls_4500 = pig.least_squares(tau_4500, sigma_tau_4500, sigma_epsilon_4500)\n",
-    "E_calib_4500, see_4500, r2_4500, rmse_4500, rrmse_4500, ccc_4500 = pig.inversion_fit_errors(tau_4500, epsilon_4500, mest_4500, covm_est_4500, covepsilon_4500)\n",
+    "E_calib_4500, see_4500, r2_4500, rmse_4500, rrmse_4500, ccc_4500 = pig.inversion_fit_errors(tau_4500, epsilon_4500, mest_4500, covepsilon_4500)\n",
     "\n",
     "mest_3550, covm_est_3550, covepsilon_3550 = pig.inversion(tau_3550, epsilon_3550, sigma_tau_3550, sigma_epsilon_3550, intercept_zero=False)\n",
     "mls_3550, covls_3550 = pig.least_squares(tau_3550, epsilon_3550, sigma_epsilon_3550)\n",
-    "E_calib_3550, see_3550, r2_3550, rmse_3550, rrmse_3550, ccc_3550 = pig.inversion_fit_errors(tau_3550, epsilon_3550, mest_3550, covm_est_3550, covepsilon_3550)\n",
+    "E_calib_3550, see_3550, r2_3550, rmse_3550, rrmse_3550, ccc_3550 = pig.inversion_fit_errors(tau_3550, epsilon_3550, mest_3550, covepsilon_3550)\n",
     "\n",
     "mest_1635, covm_est_1635, covepsilon_1635 = pig.inversion(tau_1635, epsilon_1635, sigma_tau_1635, sigma_epsilon_1635, intercept_zero=False)\n",
-    "mls_1635, covls_1635 = pig.least_squares(tau_1635, epsilon_1635, sigma_tau_1635, sigma_epsilon_1635)\n",
-    "E_calib_1635, see_1635, r2_1635, rmse_1635, rrmse_1635, ccc_1635 = pig.inversion_fit_errors(tau_1635, epsilon_1635, mest_1635, covm_est_1635, covepsilon_1635)\n",
+    "mls_1635, covls_1635 = pig.least_squares(tau_1635, epsilon_1635, sigma_epsilon_1635)\n",
+    "E_calib_1635, see_1635, r2_1635, rmse_1635, rrmse_1635, ccc_1635 = pig.inversion_fit_errors(tau_1635, epsilon_1635, mest_1635, covepsilon_1635)\n",
     "\n",
     "mest_carbonate, covm_est_carbonate, covepsilon_carbonate = pig.inversion(eta, epsilon_carbonate, sigma_eta, sigma_epsilon_carbonate, intercept_zero=False)\n",
     "mls_carbonate, covls_carbonate = pig.least_squares(eta, epsilon_carbonate, sigma_epsilon_carbonate)\n",
-    "E_calib_carbonate, see_carbonate, r2_carbonate, rmse_carbonate, rrmse_carbonate, ccc_carbonate = pig.inversion_fit_errors(eta, epsilon_carbonate, mls_carbonate, covls_carbonate, covepsilon_carbonate)\n"
+    "E_calib_carbonate, see_carbonate, r2_carbonate, rmse_carbonate, rrmse_carbonate, ccc_carbonate = pig.inversion_fit_errors(eta, epsilon_carbonate, mls_carbonate, covepsilon_carbonate)\n"
    ]
   },
   {
@@ -349,7 +349,7 @@
     "ax[2].legend(loc = 'upper left', labelspacing = 0.4, handletextpad = 0.5, handlelength = 1.50, prop={'size': 12}, frameon=False)\n",
     "ax[2].tick_params(axis=\"x\", direction='in', length=5, pad = 6.5)\n",
     "ax[2].tick_params(axis=\"y\", direction='in', length=5, pad = 6.5)\n",
-    "\n",
+    "ax[2].scatter(tau_3550[epsilon_3550==63.027], epsilon_3550[epsilon_3550==63.027], s=sz, c='#0C7BDC', edgecolors='black', linewidth=2, zorder=15)\n",
     "\n",
     "epsilon_1635_mandeville = -57.813+131.94*tau_arr_1635\n",
     "fuego_idx = np.where((tau_arr_1635 > 0.653) & (tau_arr_1635 < 0.715))\n",
@@ -380,12 +380,14 @@
     "df_carbonate = pd.read_excel('./EpsilonRegression.xlsx', sheet_name='CarbonateRegress')\n",
     "low_df = df_carbonate[df_carbonate.Epsilon_Location == 'Low']\n",
     "high_df = df_carbonate[df_carbonate.Epsilon_Location == 'High']\n",
+    "shi_low = low_df[low_df.Compilation=='Shi']\n",
+    "shi_high = low_df[low_df.Compilation=='Shi']\n",
     "\n",
-    "ax[4].errorbar(low_df['Na/Na+Ca'], low_df['Epsilon_Carbonate'], yerr = low_df['Epsilon_Carbonate']*0.1, xerr = low_df['Na/Na+Ca']*0.025, ls = 'none', elinewidth = 0.5, ecolor = 'k')\n",
-    "ax[4].scatter(low_df['Na/Na+Ca'], low_df['Epsilon_Carbonate'], s = sz, c = '#0C7BDC', edgecolors='black', linewidth = 0.5, zorder = 15, label = '$\\mathregular{CO_{3, 1430}^{2-}}$, N='+str(len(low_df)))\n",
+    "ax[4].errorbar(low_df['Eta'], low_df['Epsilon_Carbonate'], yerr = low_df['Epsilon_Carbonate']*0.1, xerr = low_df['Eta']*0.025, ls = 'none', elinewidth = 0.5, ecolor = 'k')\n",
+    "ax[4].scatter(low_df['Eta'], low_df['Epsilon_Carbonate'], s = sz, c = '#0C7BDC', edgecolors='black', linewidth = 0.5, zorder = 15, label = '$\\mathregular{CO_{3, 1430}^{2-}}$, N='+str(len(low_df)))\n",
     "\n",
-    "ax[4].errorbar(high_df['Na/Na+Ca'], high_df['Epsilon_Carbonate'], yerr = high_df['Epsilon_Carbonate']*0.10, xerr = high_df['Na/Na+Ca']*0.025, ls = 'none', elinewidth = 0.5, ecolor = 'k')\n",
-    "ax[4].scatter(high_df['Na/Na+Ca'], high_df['Epsilon_Carbonate'], s = sz, c = '#E42211', marker = 's', edgecolors='black', linewidth = 0.5, zorder = 15, label = '$\\mathregular{CO_{3, 1515}^{2-}}$, N='+str(len(high_df)))\n",
+    "ax[4].errorbar(high_df['Eta'], high_df['Epsilon_Carbonate'], yerr = high_df['Epsilon_Carbonate']*0.10, xerr = high_df['Eta']*0.025, ls = 'none', elinewidth = 0.5, ecolor = 'k')\n",
+    "ax[4].scatter(high_df['Eta'], high_df['Epsilon_Carbonate'], s = sz, c = '#E42211', marker = 's', edgecolors='black', linewidth = 0.5, zorder = 15, label = '$\\mathregular{CO_{3, 1515}^{2-}}$, N='+str(len(high_df)))\n",
     "\n",
     "dixonpan, = ax[4].plot(eta_arr, epsilon_carbonate_dixonpan, 'k-.', lw = 1.5, zorder = 0, label = 'Dixon and Pan, 1995')\n",
     "dixonpan.set_dashes([1.5, 1, 3, 1])\n",
@@ -404,6 +406,8 @@
     "ax[4].legend(loc = 'lower left', labelspacing = 0.4, handletextpad = 0.5, handlelength = 1.50, prop={'size': 12}, frameon=False)\n",
     "ax[4].tick_params(axis=\"x\", direction='in', length=5, pad = 6.5)\n",
     "ax[4].tick_params(axis=\"y\", direction='in', length=5, pad = 6.5)\n",
+    "ax[4].scatter(shi_high['Eta'], shi_high['Epsilon_Carbonate'], s=sz, c='#E42211', marker = 's', edgecolors='black', linewidth=2, zorder=15)\n",
+    "ax[4].scatter(shi_low['Eta'], shi_low['Epsilon_Carbonate'], s=sz, c='#0C7BDC', edgecolors='black', linewidth=2, zorder=15)#\n",
     "\n",
     "fig.delaxes(ax[5])\n",
     "\n",
@@ -458,6 +462,13 @@
     "EPS_DF = pig.calculate_epsilon(chemistry, T_ROOM, P_ROOM)\n",
     "EPS_DF"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {