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377 lines
9.3 KiB
Plaintext
377 lines
9.3 KiB
Plaintext
Iteration, Species, MAPE, RRSME
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20, ID, 0, 0
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20, H, 1.41445e-14, 2.35911e-16
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20, O, 0.0553419, 0.000567653
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20, Charge, 0.0182496, 0.000187253
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20, C, 9.41889e-05, 1.47295e-05
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20, Ca, 9.42715e-05, 1.47294e-05
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20, Cl, 6.0345, 0.0869993
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20, Mg, 6.09838, 0.0882693
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20, Calcite, 5.63369e-05, 8.82505e-06
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20, Calcite_p1, 0, 0
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20, Dolomite, 4.13256e-09, 1.16886e-08
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20, Dolomite_p1, 0, 0
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20, O2g_eq, 0.145118, 0.0014895
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20, O2g_si, 0, 0
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40, ID, 0, 0
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40, H, 3.88971e-14, 4.87626e-16
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40, O, 0.056556, 0.000586363
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40, Charge, 0.0175789, 0.000183408
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40, C, 0.000325979, 3.81983e-05
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40, Ca, 0.000326053, 3.8197e-05
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40, Cl, 3.04641, 0.058268
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40, Mg, 3.09965, 0.0603568
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40, Calcite, 0.000196233, 2.30896e-05
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40, Calcite_p1, 0, 0
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40, Dolomite, 8.48003e-06, 8.69316e-06
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40, Dolomite_p1, 0, 0
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40, O2g_eq, 0.148463, 0.00154008
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40, O2g_si, 0, 0
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60, ID, 0, 0
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60, H, 0, 0
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60, O, 0, 0
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60, Charge, 0, 0
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60, C, 0, 0
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60, Ca, 0, 0
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60, Cl, 0, 0
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60, Mg, 0, 0
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60, Calcite, 0, 0
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60, Calcite_p1, 0, 0
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60, Dolomite, 0, 0
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60, Dolomite_p1, 0, 0
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60, O2g_eq, 0, 0
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60, O2g_si, 0, 0
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80, ID, 0, 0
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80, H, 0, 0
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80, O, 0, 0
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80, Charge, 0, 0
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80, C, 0, 0
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80, Ca, 0, 0
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80, Cl, 0, 0
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80, Mg, 0, 0
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80, Calcite, 0, 0
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80, Calcite_p1, 0, 0
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80, Dolomite, 0, 0
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80, Dolomite_p1, 0, 0
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80, O2g_eq, 0, 0
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80, O2g_si, 0, 0
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100, ID, 0, 0
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100, H, 2.52054e-14, 4.54572e-16
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100, O, 0.0499718, 0.000533381
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100, Charge, 0.0157197, 0.000172845
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100, C, 0.000521522, 3.64097e-05
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100, Ca, 0.000521537, 3.64034e-05
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100, Cl, 1.79663, 0.0479452
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100, Mg, 1.89434, 0.050751
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100, Calcite, 0.000314689, 2.20679e-05
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100, Calcite_p1, 0, 0
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100, Dolomite, 0.000611171, 0.000558382
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100, Dolomite_p1, 0, 0
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100, O2g_eq, 0.130299, 0.0013932
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100, O2g_si, 0, 0
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120, ID, 0, 0
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120, H, 2.45742e-14, 4.82097e-16
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120, O, 0.0511434, 0.000552565
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120, Charge, 0.0151224, 0.000169403
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120, C, 0.00055729, 3.68181e-05
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120, Ca, 0.000557564, 3.68497e-05
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120, Cl, 1.26629, 0.0384465
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120, Mg, 1.33603, 0.0414565
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120, Calcite, 0.000344085, 2.33848e-05
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120, Calcite_p1, 0, 0
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120, Dolomite, 0.00565502, 0.0070734
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120, Dolomite_p1, 0, 0
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120, O2g_eq, 0.133569, 0.00144506
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120, O2g_si, 0, 0
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140, ID, 0, 0
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140, H, 0, 0
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140, O, 0, 0
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140, Charge, 0, 0
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140, C, 0, 0
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140, Ca, 0, 0
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140, Cl, 0, 0
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140, Mg, 0, 0
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140, Calcite, 0, 0
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140, Calcite_p1, 0, 0
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140, Dolomite, 0, 0
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140, Dolomite_p1, 0, 0
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140, O2g_eq, 0, 0
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140, O2g_si, 0, 0
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160, ID, 0, 0
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160, H, 0, 0
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160, O, 0, 0
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160, Charge, 0, 0
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160, C, 0, 0
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160, Ca, 0, 0
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160, Cl, 0, 0
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160, Mg, 0, 0
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160, Calcite, 0, 0
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160, Calcite_p1, 0, 0
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160, Dolomite, 0, 0
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160, Dolomite_p1, 0, 0
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160, O2g_eq, 0, 0
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160, O2g_si, 0, 0
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180, ID, 0, 0
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180, H, 4.21264e-14, 6.43691e-16
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180, O, 0.0451131, 0.000507232
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180, Charge, 0.0133282, 0.000158663
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180, C, 0.000689696, 3.58042e-05
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180, Ca, 0.000689595, 3.57904e-05
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180, Cl, 0.920225, 0.0359217
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180, Mg, 0.986528, 0.0403564
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180, Calcite, 0.000420255, 2.2125e-05
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180, Calcite_p1, 0, 0
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180, Dolomite, 0.0148754, 0.00869066
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180, Dolomite_p1, 0, 0
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180, O2g_eq, 0.117169, 0.00131922
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180, O2g_si, 0, 0
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200, ID, 0, 0
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200, H, 3.09518e-14, 5.96967e-16
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200, O, 0.0460042, 0.000524667
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200, Charge, 0.0127803, 0.000155455
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200, C, 0.000624372, 3.16039e-05
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200, Ca, 0.000624798, 3.16382e-05
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200, Cl, 0.711112, 0.0301469
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200, Mg, 0.766742, 0.0335527
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200, Calcite, 0.000388114, 2.04472e-05
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200, Calcite_p1, 0, 0
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200, Dolomite, 0.00418652, 0.00305248
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200, Dolomite_p1, 0, 0
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200, O2g_eq, 0.119619, 0.00136598
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200, O2g_si, 0, 0
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220, ID, 0, 0
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220, H, 3.38653e-14, 6.03322e-16
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220, O, 0.0448395, 0.000519484
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220, Charge, 0.0122, 0.000151847
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220, C, 0.000602414, 3.03438e-05
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220, Ca, 0.000602795, 3.0383e-05
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220, Cl, 0.57974, 0.026681
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220, Mg, 0.630163, 0.0304884
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220, Calcite, 0.000371929, 1.92166e-05
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220, Calcite_p1, 0, 0
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220, Dolomite, 0.027979, 0.0156879
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220, Dolomite_p1, 0, 0
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220, O2g_eq, 0.116433, 0.00135073
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220, O2g_si, 0, 0
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240, ID, 0, 0
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240, H, 4.01928e-14, 6.63038e-16
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240, O, 0.0437732, 0.00051452
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240, Charge, 0.0116593, 0.000148471
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240, C, 0.000622541, 3.15577e-05
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240, Ca, 0.000623301, 3.1637e-05
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240, Cl, 0.486397, 0.0242533
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240, Mg, 0.532535, 0.0278207
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240, Calcite, 0.000388216, 2.05683e-05
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240, Calcite_p1, 0, 0
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240, Dolomite, 0.0318458, 0.0173306
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240, Dolomite_p1, 0, 0
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240, O2g_eq, 0.113552, 0.00133602
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240, O2g_si, 0, 0
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260, ID, 0, 0
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260, H, 3.49348e-14, 6.34319e-16
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260, O, 0.0426325, 0.000508416
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260, Charge, 0.011194, 0.000145704
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260, C, 0.000560489, 2.68571e-05
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260, Ca, 0.000561128, 2.69044e-05
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260, Cl, 0.416622, 0.023058
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260, Mg, 0.459164, 0.026071
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260, Calcite, 0.000347105, 1.71572e-05
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260, Calcite_p1, 0, 0
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260, Dolomite, 0.0209413, 0.012389
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260, Dolomite_p1, 0, 0
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260, O2g_eq, 0.110485, 0.00131874
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260, O2g_si, 0, 0
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280, ID, 0, 0
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280, H, 3.60996e-14, 6.6192e-16
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280, O, 0.0413622, 0.000500831
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280, Charge, 0.0107693, 0.000142997
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280, C, 0.000577356, 2.6604e-05
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280, Ca, 0.000578462, 2.6685e-05
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280, Cl, 0.360292, 0.0214539
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280, Mg, 0.401591, 0.0253684
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280, Calcite, 0.000364216, 1.81639e-05
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280, Calcite_p1, 0, 0
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280, Dolomite, 0.0221824, 0.0141538
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280, Dolomite_p1, 0, 0
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280, O2g_eq, 0.107019, 0.00129705
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280, O2g_si, 0, 0
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300, ID, 0, 0
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300, H, 3.56994e-14, 6.52017e-16
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300, O, 0.0399861, 0.000491851
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300, Charge, 0.0103422, 0.000140284
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300, C, 0.000604904, 2.83669e-05
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300, Ca, 0.000605783, 2.84371e-05
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300, Cl, 0.313853, 0.0201635
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300, Mg, 0.353232, 0.0235415
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300, Calcite, 0.000386924, 2.08332e-05
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300, Calcite_p1, 0, 0
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300, Dolomite, 0.0226333, 0.0141679
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300, Dolomite_p1, 0, 0
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300, O2g_eq, 0.103311, 0.00127183
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300, O2g_si, 0, 0
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320, ID, 0, 0
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320, H, 3.40886e-14, 6.62584e-16
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320, O, 0.0387726, 0.000484965
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320, Charge, 0.00993204, 0.000137438
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320, C, 0.000604705, 2.84329e-05
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320, Ca, 0.000605988, 2.85747e-05
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320, Cl, 0.274623, 0.0191566
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320, Mg, 0.313395, 0.0223996
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320, Calcite, 0.000376625, 1.86093e-05
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320, Calcite_p1, 0, 0
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320, Dolomite, 0.0134875, 0.0101849
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320, Dolomite_p1, 0, 0
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320, O2g_eq, 0.100005, 0.00125156
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320, O2g_si, 0, 0
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340, ID, 0, 0
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340, H, 3.70111e-14, 6.80177e-16
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340, O, 0.0376343, 0.00047866
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340, Charge, 0.00956443, 0.000134982
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340, C, 0.000601699, 2.71597e-05
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340, Ca, 0.000603066, 2.72861e-05
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340, Cl, 0.238462, 0.018479
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340, Mg, 0.280258, 0.0219955
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340, Calcite, 0.000385246, 1.94428e-05
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340, Calcite_p1, 0, 0
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340, Dolomite, 0.0318, 0.0161574
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340, Dolomite_p1, 0, 0
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340, O2g_eq, 0.0969628, 0.00123385
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340, O2g_si, 0, 0
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360, ID, 0, 0
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360, H, 3.60799e-14, 6.63514e-16
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360, O, 0.0365169, 0.000472697
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360, Charge, 0.00920089, 0.000132444
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360, C, 0.000589346, 2.56004e-05
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360, Ca, 0.000590568, 2.56932e-05
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360, Cl, 0.193642, 0.0171236
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360, Mg, 0.248585, 0.0212179
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360, Calcite, 0.000377203, 1.84335e-05
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360, Calcite_p1, 0, 0
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360, Dolomite, 0.0218774, 0.0141493
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360, Dolomite_p1, 0, 0
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360, O2g_eq, 0.0939613, 0.00121694
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360, O2g_si, 0, 0
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380, ID, 0, 0
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380, H, 3.55796e-14, 6.8648e-16
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380, O, 0.0354729, 0.000466356
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380, Charge, 0.0088669, 0.000130032
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380, C, 0.00063697, 2.96211e-05
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380, Ca, 0.000638083, 2.97091e-05
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380, Cl, 0.140909, 0.0150374
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380, Mg, 0.216507, 0.0225187
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380, Calcite, 0.000406558, 2.07877e-05
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380, Calcite_p1, 0, 0
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380, Dolomite, 0.047141, 0.021219
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380, Dolomite_p1, 0, 0
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380, O2g_eq, 0.0911081, 0.00119849
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380, O2g_si, 0, 0
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400, ID, 0, 0
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400, H, 3.6232e-14, 7.02432e-16
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400, O, 0.0345795, 0.0004623
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400, Charge, 0.00852493, 0.000127455
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400, C, 0.000603678, 2.58639e-05
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400, Ca, 0.000605169, 2.59922e-05
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400, Cl, 0.10123, 0.014209
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400, Mg, 0.175309, 0.020241
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400, Calcite, 0.000381044, 1.74899e-05
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400, Calcite_p1, 0, 0
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400, Dolomite, 0.0368562, 0.018712
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400, Dolomite_p1, 0, 0
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400, O2g_eq, 0.0887188, 0.0011865
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400, O2g_si, 0, 0
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420, ID, 0, 0
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420, H, 3.83382e-14, 6.68783e-16
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420, O, 0.0335484, 0.000455385
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420, Charge, 0.00817171, 0.000124832
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420, C, 0.000603529, 2.54134e-05
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420, Ca, 0.000605869, 2.56068e-05
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420, Cl, 0.067397, 0.0126332
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420, Mg, 0.132868, 0.0190658
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420, Calcite, 0.000382948, 1.74596e-05
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420, Calcite_p1, 0, 0
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420, Dolomite, 0.0226142, 0.0141506
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420, Dolomite_p1, 0, 0
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420, O2g_eq, 0.0859497, 0.00116688
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420, O2g_si, 0, 0
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440, ID, 0, 0
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440, H, 3.67274e-14, 6.59047e-16
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440, O, 0.0326937, 0.000451041
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440, Charge, 0.0078609, 0.000122411
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440, C, 0.0006084, 2.44131e-05
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440, Ca, 0.000610448, 2.45656e-05
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440, Cl, 0.03675, 0.0100792
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440, Mg, 0.0979748, 0.0177069
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440, Calcite, 0.000390181, 1.72703e-05
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440, Calcite_p1, 0, 0
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440, Dolomite, 0.0246411, 0.0142021
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440, Dolomite_p1, 0, 0
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440, O2g_eq, 0.0836881, 0.0011549
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440, O2g_si, 0, 0
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460, ID, 0, 0
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460, H, 3.51522e-14, 6.28657e-16
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460, O, 0.0317917, 0.000445065
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460, Charge, 0.00753923, 0.000119952
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460, C, 0.000598644, 2.42974e-05
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460, Ca, 0.000600299, 2.44311e-05
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460, Cl, 0.0143973, 0.00637336
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460, Mg, 0.0677921, 0.0158669
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460, Calcite, 0.0003902, 1.9257e-05
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460, Calcite_p1, 0, 0
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460, Dolomite, 0.0128875, 0.0100163
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460, Dolomite_p1, 0, 0
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460, O2g_eq, 0.0812584, 0.00113768
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460, O2g_si, 0, 0
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480, ID, 0, 0
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480, H, 3.58576e-14, 6.04745e-16
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480, O, 0.0309867, 0.000441054
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480, Charge, 0.00722698, 0.000117467
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480, C, 0.000607134, 2.35285e-05
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480, Ca, 0.00060929, 2.37256e-05
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480, Cl, 0.00374346, 0.00196574
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480, Mg, 0.04042, 0.0134234
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480, Calcite, 0.000388391, 1.64682e-05
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480, Calcite_p1, 0, 0
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480, Dolomite, 0.00312571, 0.000640164
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480, Dolomite_p1, 0, 0
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480, O2g_eq, 0.0791289, 0.00112619
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480, O2g_si, 0, 0
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500, ID, 0, 0
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500, H, 3.64637e-14, 6.36339e-16
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500, O, 0.0302192, 0.000436687
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500, Charge, 0.00693139, 0.000114918
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500, C, 0.000609576, 2.32842e-05
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500, Ca, 0.000612185, 2.34914e-05
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500, Cl, 0.000865377, 0.000464931
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500, Mg, 0.017595, 0.00765859
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500, Calcite, 0.000387095, 1.60962e-05
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500, Calcite_p1, 0, 0
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500, Dolomite, 0.00378159, 0.000835746
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500, Dolomite_p1, 0, 0
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500, O2g_eq, 0.0770378, 0.00111302
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500, O2g_si, 0, 0
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