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Python Notebook Download

Opx-Cpx Thermobarometry

You need to install Thermobar once on your machine, if you haven’t done this yet, uncomment the line below (remove the #)

[1]:
#!pip install Thermobar

Importing other python things

[2]:
import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
import Thermobar as pt
pd.options.display.max_columns = None

Loading in excel spreadsheet

  • Make an excel spreadsheet where you have rows for each touching pair, with the column headings SiO2_Opx for SiO2 in the Opx, SiO2_Cpx for SiO2 in the Cpx etc. The column order doesnt matter.

[3]:
out=pt.import_excel('Two_pyroxene_input.xlsx', sheet_name="Paired_Cpx_Opx")
# This extracts a dataframe of all inputs
my_input=out['my_input']
# This extracts a dataframe of cpx compositions from the dictionary "out"
Cpxs=out['Cpxs']
# This extracts a dataframe of opx compositions from the dictionary "out"
Opxs=out['Opxs']
# Check the outputs to make sure there are no columns of zeros where you expect numbers
display(Cpxs.head())
display(Opxs.head())
SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx
0 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0
1 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1
2 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2
3 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3
4 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4
SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx
0 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0
1 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1
2 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2
3 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3
4 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4
  • If at any point you want to find out more about a function, and what equations it offers, you can use the help function

[4]:
help(pt.calculate_cpx_opx_press)
Help on function calculate_cpx_opx_press in module Thermobar.two_pyroxene:

calculate_cpx_opx_press(*, cpx_comps=None, opx_comps=None, Two_Px_Match=None, equationP=None, eq_tests=False, T=None)
    calculates pressure in kbar for Opx-Cpx pairs

    The function requires inputs of cpx_comps and opx_comps, or input of a
    combined dataframe of cpx-opx compositions (this is used for the
    calculate_cpx_opx_press_temp_matching function)

    Parameters
    -----------

    cpx_comps: pandas.DataFrame
        Clinopyroxene compositions with column headings SiO2_Cpx, MgO_Cpx etc.

    opx_comps: pandas.DataFrame
       Opx compositions with column headings SiO2_Opx, MgO_Opx etc.

    Two_Px_Match: pandas.DataFrame
        Combined Cpx-Opx compositions instead of separate dataframes.
        Used for calculate Cpx_Opx_press_temp_matching function.

    equationP: str
        Choose from:

        |  P_Put2008_eq38 (T-independent)
        |  P_Put2008_eq39 (T-dependent)

    T: float, int, pd.Series, str  ("Solve")
        Temperature in Kelvin to perform calculations at.
        Only needed for T-sensitive barometers.
        If T="Solve", returns a partial function.
        Else, enter an integer, float, or panda series.

    eq_tests: bool
        If False, just returns temperature in K (default) as a panda series.
        If True, returns pressure in kbar, Kd Fe-Mg for opx-cpx,
        and the user-entered cpx and opx comps as a panda dataframe.


    Returns
    -------
    If eq_tests is False
        pandas.Series: Pressure in kbar
    If eq_tests is True
        pandas.DataFrame: Pressure in kbar + Kd-Fe-Mg + cpx+opx comps

  • You can also do help on the equations themselves to get a bit more information,

[5]:
help(pt.P_Put2008_eq38)
Help on function P_Put2008_eq38 in module Thermobar.two_pyroxene:

P_Put2008_eq38(T=None, *, Na_Opx_cat_6ox, Al_IV_Opx_cat_6ox, Al_VI_Opx_cat_6ox, Ti_Opx_cat_6ox, Ca_Opx_cat_6ox, Cr_Opx_cat_6ox, Mg_Opx_cat_6ox, Fet_Opx_cat_6ox, Mn_Opx_cat_6ox, Ca_Cpx_cat_6ox, Fm2Si2O6, En_Opx, Di_Opx)
    Two pyroxene barometer of Putirka (2008) Eq38. Calibrated on Mg#-rich systems (>0.75)
    :cite:`putirka2008thermometers`

    | SEE=+-3.7 kbar

Example 1 - Calculating pressures.

1a - Pressures using equation 38 of Putirka (2008)

  • You must specify Opx compositions, Cpx compositions and an equation for pressure

  • Equation 38 is independent of temperature, so you don’t need to specify a temp

[6]:
P_Eq38=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs, equationP="P_Put2008_eq38")
P_Eq38.head() # Head shows the first 5 results
[6]:
0     2.187907
1    16.535654
2    14.450339
3     2.380005
4     4.099411
dtype: float64

To get equilibrium tests, specify eq_tests=True. This also returns input compositions.

[7]:
P_Eq38_EqTests=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs,
                                          equationP="P_Put2008_eq38", eq_tests=True)
P_Eq38_EqTests.head()
[7]:
P_kbar_calc High T Kd Eq? Equation Choice (P) Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
0 2.187907 N P_Put2008_eq38 Y 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0 1.912184 0.904784 0.155939 0.842247 0.129273 0.023393 0.0 0.003406 0.019251 0.016765 0.0 0.087816 0.041457 0.475459 0.081945 0.442596 4.007242 0.442596 0.014485 0.141454 0.092887 0.008383 0.122977 0.852984 0.023393 0 0.018064 0.034876 0.780925 0.139899 0.780925 0.663987 0.014485 0.141454 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.000685 0.009038 0.005308 0.000146 0.034078 0.957618 0.790815 0.028142 0.828850 0.871733 0.834684 0.027496 0.604991 0.216022 0.645067
1 16.535654 Y P_Put2008_eq38 Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 14.450339 Y P_Put2008_eq38 Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 2.380005 Y P_Put2008_eq38 Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 4.099411 Y P_Put2008_eq38 Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532

You can then filter this to get only ones in high T equilibrium

[12]:
P_Eq38_EqTests_Filt=P_Eq38_EqTests.loc[P_Eq38_EqTests['High T Kd Eq?']=="Y"]
P_Eq38_EqTests_Filt.head()
[12]:
P_kbar_calc High T Kd Eq? Equation Choice (P) Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
1 16.535654 Y P_Put2008_eq38 Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 14.450339 Y P_Put2008_eq38 Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 2.380005 Y P_Put2008_eq38 Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 4.099411 Y P_Put2008_eq38 Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532
5 14.809877 Y P_Put2008_eq38 Y 51.58 0.00 7.28 3.75 0.00 19.55 15.94 0.70 0 1.20 5 1.847739 1.044034 0.112343 0.611816 0.307360 0.048619 0.0 0.000000 0.000000 0.033985 0.0 0.152261 0.155100 0.590452 0.063536 0.346012 4.005897 0.346012 0.011794 0.100549 0.104985 0.016993 0.273356 0.902846 0.048619 0 0.106481 0.022890 0.465453 0.345462 0.465453 0.420233 0.011794 0.100549 54.40 0.00 5.40 5.90 0.00 31.20 2.30 0.20 0 0.60 5 1.884939 1.611616 0.170965 0.085388 0.220521 0.013436 0.0 0.000000 0.000000 0.016436 0.0 0.115061 0.105459 1.884939 0.862764 0.091524 0.045712 4.003301 0.045712 0.013436 0.000000 0.016436 0.075587 0.085388 0.810802 0.733040 0.077199 0.904089 0.757966 1.014348 0.006602 0.496311 0.219969 0.647330

1b - Equation 39 (T-dependent)

  • Equation 39 requires you to specify a temperature

  • You can either specify T= constant (e.g, T=1300 K), or specify T=my_input[‘column name’] where column name is a heading storing temp in the input dataset

[13]:
# Reading temperature from the column T_K in the input spreadsheet
P_Eq39_inputT=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs,
                                         equationP="P_Put2008_eq39", T=my_input['T_K'])
P_Eq39_inputT.head()
[13]:
0    4.038935
1    2.201826
2    1.189798
3    3.239557
4    4.757423
dtype: float64
[14]:
# Performing calculations at fixed temp (1300K)
P_Eq39_fixedT=pt.calculate_cpx_opx_press(opx_comps=Opxs, cpx_comps=Cpxs,
                                        equationP="P_Put2008_eq39", T=1300)
P_Eq39_fixedT.head() # Shows the first 5 outputs. Remove .head() to see them all
[14]:
0    5.247185
1    3.410076
2    2.398048
3    4.447807
4    5.965673
dtype: float64

Example 2 - Calculating Temperature

  • Similarly to pressure, there is a function called calculate_cpx_opx_temp which calculates Temp given Cpx, Opx compositions, an equation, and a pressure (if equation is P-sensitive)

2a - Wood and Wells (1973)

  • This equation is P-independent, so doesn’t require a pressure

[16]:
T_Wood=pt.calculate_cpx_opx_temp(opx_comps=Opxs, cpx_comps=Cpxs,
                                 equationT="T_Wood1973", eq_tests=True)
T_Wood.head()
[16]:
T_K_calc Equation Choice (T) High T Kd Eq? Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
0 1324.760052 T_Wood1973 N Y 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0 1.912184 0.904784 0.155939 0.842247 0.129273 0.023393 0.0 0.003406 0.019251 0.016765 0.0 0.087816 0.041457 0.475459 0.081945 0.442596 4.007242 0.442596 0.014485 0.141454 0.092887 0.008383 0.122977 0.852984 0.023393 0 0.018064 0.034876 0.780925 0.139899 0.780925 0.663987 0.014485 0.141454 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.000685 0.009038 0.005308 0.000146 0.034078 0.957618 0.790815 0.028142 0.828850 0.871733 0.834684 0.027496 0.604991 0.216022 0.645067
1 1660.188018 T_Wood1973 Y Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 1619.841099 T_Wood1973 Y Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 1325.580654 T_Wood1973 Y Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 1360.156781 T_Wood1973 Y Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532

2b - Putirka (2008) eq 36 (P-dependent).

  • Must specify a P, can enter as a constant (in kbar, in this example P=5kbar), or tell it to read in from a column in the input, as for temp

[17]:
T_Put_37=pt.calculate_cpx_opx_temp(opx_comps=Opxs, cpx_comps=Cpxs, P=5,
                                   equationT="T_Put2008_eq36", eq_tests=True)
T_Put_37.head() # Shows the first 5 outputs. Remove .head() to see them all
[17]:
T_K_calc Equation Choice (T) High T Kd Eq? Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
0 1266.450414 T_Put2008_eq36 N Y 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0 1.912184 0.904784 0.155939 0.842247 0.129273 0.023393 0.0 0.003406 0.019251 0.016765 0.0 0.087816 0.041457 0.475459 0.081945 0.442596 4.007242 0.442596 0.014485 0.141454 0.092887 0.008383 0.122977 0.852984 0.023393 0 0.018064 0.034876 0.780925 0.139899 0.780925 0.663987 0.014485 0.141454 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.000685 0.009038 0.005308 0.000146 0.034078 0.957618 0.790815 0.028142 0.828850 0.871733 0.834684 0.027496 0.604991 0.216022 0.645067
1 1490.724353 T_Put2008_eq36 Y Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 1496.279136 T_Put2008_eq36 Y Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 1286.405818 T_Put2008_eq36 Y Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 1279.823849 T_Put2008_eq36 Y Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532

Example 3 - Iterating P and T

  • In many cases you won’t know the pressure or the temperature, so you’ll want to solve for 2 unknowns

  • The function “calculate_cpx_opx_press_temp” allows you to specify an equation for P and for T, and it solves these iteratively until a solution is reached

  • As with the Pressure and temperature functions, you can specify eq_tests=True to get more information in the returned panda dataframe

3b - Here, use equation T of T_Put2008_Eq36, and equation P of P_Put2008_eq39

[18]:
P_T36_P39=pt.calculate_cpx_opx_press_temp(opx_comps=Opxs, cpx_comps=Cpxs,
                                          equationP="P_Put2008_eq39",
                                          equationT="T_Put2008_eq36", eq_tests=True)
P_T36_P39.head()
[18]:
T_K_calc P_kbar_calc Equation Choice (T) Equation Choice (P) Delta Kd High T High T Kd Eq? Delta Kd Low T Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
0 1258.526669 3.380885 T_Put2008_eq36 P_Put2008_eq39 0.255316 N 0.134684 Y 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0 1.912184 0.904784 0.155939 0.842247 0.129273 0.023393 0.0 0.003406 0.019251 0.016765 0.0 0.087816 0.041457 0.475459 0.081945 0.442596 4.007242 0.442596 0.014485 0.141454 0.092887 0.008383 0.122977 0.852984 0.023393 0 0.018064 0.034876 0.780925 0.139899 0.780925 0.663987 0.014485 0.141454 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.000685 0.009038 0.005308 0.000146 0.034078 0.957618 0.790815 0.028142 0.828850 0.871733 0.834684 0.027496 0.604991 0.216022 0.645067
1 1577.081747 15.878754 T_Put2008_eq36 P_Put2008_eq39 0.006163 Y 0.383837 Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 1573.435336 14.702638 T_Put2008_eq36 P_Put2008_eq39 0.047662 Y 0.437662 Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 1278.712525 3.489871 T_Put2008_eq36 P_Put2008_eq39 0.060356 Y 0.450356 Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 1280.203052 5.074810 T_Put2008_eq36 P_Put2008_eq39 0.026997 Y 0.363003 Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532

3c - Here, use Temp from Bray 1990 and equation 38 from Putirka (2008)

[19]:
P_TBray_P38=pt.calculate_cpx_opx_press_temp(opx_comps=Opxs, cpx_comps=Cpxs, equationP="P_Put2008_eq38", equationT="T_Brey1990", eq_tests=True)
P_TBray_P38.head()

Youve selected a T-independent function
[19]:
T_K_calc P_kbar_calc Equation Choice (T) Equation Choice (P) Delta Kd High T High T Kd Eq? Delta Kd Low T Low T Kd Eq? SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx Si_Cpx_cat_6ox Mg_Cpx_cat_6ox Fet_Cpx_cat_6ox Ca_Cpx_cat_6ox Al_Cpx_cat_6ox Na_Cpx_cat_6ox K_Cpx_cat_6ox Mn_Cpx_cat_6ox Ti_Cpx_cat_6ox Cr_Cpx_cat_6ox oxy_renorm_factor Al_IV_cat_6ox Al_VI_cat_6ox En_Simple_MgFeCa_Cpx Fs_Simple_MgFeCa_Cpx Wo_Simple_MgFeCa_Cpx Cation_Sum_Cpx Ca_CaMgFe Lindley_Fe3_Cpx Lindley_Fe2_Cpx Lindley_Fe3_Cpx_prop CrCaTs a_cpx_En Mgno_Cpx Jd Jd_from 0=Na, 1=Al CaTs CaTi DiHd_1996 EnFs DiHd_2003 Di_Cpx FeIII_Wang21 FeII_Wang21 SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx Si_Opx_cat_6ox Mg_Opx_cat_6ox Fet_Opx_cat_6ox Ca_Opx_cat_6ox Al_Opx_cat_6ox Na_Opx_cat_6ox K_Opx_cat_6ox Mn_Opx_cat_6ox Ti_Opx_cat_6ox Cr_Opx_cat_6ox oxy_renorm_factor_opx Al_IV_Opx_cat_6ox Al_VI_Opx_cat_6ox Si_Ti_Opx_cat_6ox En_Simple_MgFeCa_Opx Fs_Simple_MgFeCa_Opx Wo_Simple_MgFeCa_Opx Cation_Sum_Opx Ca_CaMgFe NaAlSi2O6 FmTiAlSiO6 CrAl2SiO6 FmAl2SiO6 CaFmSi2O6 Fm2Si2O6 En_Opx Di_Opx Mgno_OPX En Kd_Fe_Mg_Cpx_Opx Lindley_Fe3_Opx a_Di_cpx Kf a_En_opx_mod
0 1239.928820 2.187907 T_Brey1990 P_Put2008_eq38 0.255316 N 0.134684 Y 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 0 1.912184 0.904784 0.155939 0.842247 0.129273 0.023393 0.0 0.003406 0.019251 0.016765 0.0 0.087816 0.041457 0.475459 0.081945 0.442596 4.007242 0.442596 0.014485 0.141454 0.092887 0.008383 0.122977 0.852984 0.023393 0 0.018064 0.034876 0.780925 0.139899 0.780925 0.663987 0.014485 0.141454 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 0 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.000685 0.009038 0.005308 0.000146 0.034078 0.957618 0.790815 0.028142 0.828850 0.871733 0.834684 0.027496 0.604991 0.216022 0.645067
1 1595.369041 16.535654 T_Brey1990 P_Put2008_eq38 0.006163 Y 0.383837 Y 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 0.05 1 1.830350 1.129447 0.198073 0.443816 0.349659 0.043931 0.0 0.004498 0.007456 0.001399 0.0 0.169650 0.180009 0.637624 0.111821 0.250554 4.008630 0.250554 0.017260 0.180814 0.087138 0.000700 0.411086 0.850790 0.043931 0 0.136078 0.016786 0.290252 0.518634 0.290252 0.246111 0.017260 0.180814 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 0.00 1 1.823396 1.516444 0.245370 0.079334 0.330303 0.009392 0.0 0.004103 0.003904 0.000000 0.0 0.176604 0.153699 1.827300 0.823640 0.133270 0.043089 4.012245 0.043089 0.009392 0.003904 0.000000 0.144307 0.079334 0.769186 0.660522 0.068126 0.860725 0.678544 1.083837 0.024489 0.386810 0.142639 0.569045
2 1577.310529 14.450339 T_Brey1990 P_Put2008_eq38 0.047662 Y 0.437662 Y 51.50 0.45 8.10 6.96 0.17 20.30 12.60 0.56 0 0.09 2 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.272275 0.001435 0.205981 0.006917 0.001268 0.388642 0.838685 0.038691 0 0.136701 0.014047 0.329068 0.478377 0.329068 0.274889 0.001435 0.205981 53.20 0.20 7.40 8.80 0.13 29.20 2.37 0.14 0 0.02 2 1.839965 1.505530 0.254529 0.087825 0.301638 0.009388 0.0 0.003808 0.005203 0.000547 0.0 0.160035 0.141603 1.845168 0.814732 0.137741 0.047527 4.008433 0.047527 0.009388 0.005203 0.000547 0.131669 0.087825 0.769585 0.656871 0.074962 0.855382 0.674378 1.137662 0.016867 0.412205 0.169248 0.562463
3 1273.413868 2.380005 T_Brey1990 P_Put2008_eq38 0.060356 Y 0.450356 Y 51.06 0.62 3.16 6.18 0.12 15.78 20.82 0.27 0 0.01 3 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.437404 0.015559 0.178233 0.080287 0.000148 0.132428 0.819869 0.019629 0 0.034595 0.025415 0.776303 0.149784 0.776303 0.634224 0.015559 0.178233 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0 0.15 3 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.002076 0.004565 0.004233 0.012486 0.063492 0.913443 0.764291 0.053125 0.839637 0.812807 1.150356 0.001187 0.601746 0.388240 0.636705
4 1314.729086 4.099411 T_Brey1990 P_Put2008_eq38 0.026997 Y 0.363003 Y 53.32 0.48 2.25 5.92 0.15 16.91 20.73 0.28 0 0.12 4 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.424114 0.000000 0.180851 0.000000 0.001733 0.158665 0.835841 0.019831 0 0.024783 0.013736 0.771110 0.165301 0.771110 0.641826 -0.002372 0.183222 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0 0.16 4 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.001357 0.003423 0.004427 0.023651 0.039377 0.925110 0.777706 0.033103 0.844054 0.829605 1.063003 0.000000 0.585107 0.208745 0.652532

Saving to excel

  • if at any point, you want to save one of these results to excel, simply do the following

[20]:
P_T36_P39.to_excel('Cpx-Opx_outputs.xlsx')
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