Opx-Cpx Thermobarometry¶

In this notebook, we consider analyses of touching Cpx-Opx pairs
For the situation common in lavas where you have a lot of individual Cpx-Opx crystals, and you want to assess all possible combinations from a single sample or deposit, see the second notebook "Opx_Cpx_Matching"
You can download the spreadsheet here: https://github.com/PennyWieser/Thermobar/blob/main/docs/Examples/Two_Pyroxene_Thermobarometry/Two_pyroxene_input.xlsx

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

In [1]:

#!pip install Thermobar

Importing other python things¶

In [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.

In [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	Cr2O3_Cpx	Sample_ID_Cpx
0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.58	0
1	51.70	0.28	8.38	6.69	0.15	21.40	11.70	0.64	0.05	1
2	51.50	0.45	8.10	6.96	0.17	20.30	12.60	0.56	0.09	2
3	51.06	0.62	3.16	6.18	0.12	15.78	20.82	0.27	0.01	3
4	53.32	0.48	2.25	5.92	0.15	16.91	20.73	0.28	0.12	4

	SiO2_Opx	TiO2_Opx	Al2O3_Opx	FeOt_Opx	MnO_Opx	MgO_Opx	CaO_Opx	Na2O_Opx	Cr2O3_Opx	Sample_ID_Opx
0	55.00	0.34	1.50	11.30	0.24	30.70	0.90	0.01	0.19	0
1	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.00	1
2	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	2
3	55.15	0.17	1.19	10.21	0.22	29.99	1.66	0.03	0.15	3
4	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	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

In [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,

In [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

In [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

Out[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.¶

In [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()

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.58	0	1.912184	0.904784	0.155939	0.842247	0.129273	0.023393	0.003406	0.019251	0.016765	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	0.018064	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	0.19	0	1.943665	1.617356	0.333959	0.034078	0.062475	0.000685	0.007184	0.009038	0.005308	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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¶

In [12]:

P_Eq38_EqTests_Filt=P_Eq38_EqTests.loc[P_Eq38_EqTests['High T Kd Eq?']=="Y"]
P_Eq38_EqTests_Filt.head()

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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	1.20	5	1.847739	1.044034	0.112343	0.611816	0.307360	0.048619	0.000000	0.000000	0.033985	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	0.106481	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	0.60	5	1.884939	1.611616	0.170965	0.085388	0.220521	0.013436	0.000000	0.000000	0.016436	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

In [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() 

Out[13]:

0    4.038935
1    2.201826
2    1.189798
3    3.239557
4    4.757423
dtype: float64

In [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

Out[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

In [16]:

T_Wood=pt.calculate_cpx_opx_temp(opx_comps=Opxs, cpx_comps=Cpxs, 
                                 equationT="T_Wood1973", eq_tests=True)
T_Wood.head()

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.58	0	1.912184	0.904784	0.155939	0.842247	0.129273	0.023393	0.003406	0.019251	0.016765	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	0.018064	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	0.19	0	1.943665	1.617356	0.333959	0.034078	0.062475	0.000685	0.007184	0.009038	0.005308	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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

In [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

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.58	0	1.912184	0.904784	0.155939	0.842247	0.129273	0.023393	0.003406	0.019251	0.016765	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	0.018064	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	0.19	0	1.943665	1.617356	0.333959	0.034078	0.062475	0.000685	0.007184	0.009038	0.005308	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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¶

In [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()

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.58	0	1.912184	0.904784	0.155939	0.842247	0.129273	0.023393	0.003406	0.019251	0.016765	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	0.018064	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	0.19	0	1.943665	1.617356	0.333959	0.034078	0.062475	0.000685	0.007184	0.009038	0.005308	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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)¶

In [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

Out[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	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	Mn_Cpx_cat_6ox	Ti_Cpx_cat_6ox	Cr_Cpx_cat_6ox	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	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	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	Mn_Opx_cat_6ox	Ti_Opx_cat_6ox	Cr_Opx_cat_6ox	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	0.58	0	1.912184	0.904784	0.155939	0.842247	0.129273	0.023393	0.003406	0.019251	0.016765	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	0.018064	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	0.19	0	1.943665	1.617356	0.333959	0.034078	0.062475	0.000685	0.007184	0.009038	0.005308	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	0.05	1	1.830350	1.129447	0.198073	0.443816	0.349659	0.043931	0.004498	0.007456	0.001399	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	0.136078	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	0.00	1	1.823396	1.516444	0.245370	0.079334	0.330303	0.009392	0.004103	0.003904	0.000000	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	0.09	2	1.835204	1.078405	0.207416	0.481084	0.340188	0.038691	0.005131	0.012062	0.002536	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	0.136701	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	0.02	2	1.839965	1.505530	0.254529	0.087825	0.301638	0.009388	0.003808	0.005203	0.000547	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	0.01	3	1.914576	0.882079	0.193792	0.836461	0.139648	0.019629	0.003811	0.017487	0.000296	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	0.034595	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	0.15	3	1.968730	1.595973	0.304805	0.063492	0.050066	0.002076	0.006652	0.004565	0.004233	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	0.12	4	1.947746	0.920861	0.180851	0.811362	0.096868	0.019831	0.004641	0.013189	0.003466	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	0.024783	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	0.16	4	1.971271	1.611274	0.297687	0.039377	0.058165	0.001357	0.007708	0.003423	0.004427	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

In [20]:

P_T36_P39.to_excel('Cpx-Opx_outputs.xlsx')

In [ ]: