This page was generated from docs/Examples/Two_Pyroxene_Thermobarometry/Two_Pyroxene_Matching.ipynb. Interactive online version: .

Opx-Cpx Matching

This example shows how to calculate all possible matches for Cpxs and Opxs, where there aren’t clear touching pairs.
E.g., inputting all measured Cpxs from a lava sample, all measured Opxs, and wanting to assess which ones are in equilibrium. This is adapted from the method of Neave et al. (2017) used to assess all possible Cpx-Liq pairs
Say you input Opx compositions you have measured on the probe in one sheet of an excel spreadsheet, and a set of Cpx compositions in another sheet
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 #)

[1]:

#!pip install Thermobar

[2]:

# Loading python things
import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
import Thermobar as pt
pd.options.display.max_columns = None

Setting pretty plot parameters

[3]:

plt.style.use("seaborn-colorblind")
plt.rcParams["font.family"] = 'arial'
plt.rcParams["font.size"] =12
plt.rcParams["mathtext.default"] = "regular"
plt.rcParams["mathtext.fontset"] = "dejavusans"
plt.rcParams['patch.linewidth'] = 1
plt.rcParams['axes.linewidth'] = 1
plt.rcParams["xtick.direction"] = "in"
plt.rcParams["ytick.direction"] = "in"
plt.rcParams["ytick.direction"] = "in"
plt.rcParams["xtick.major.size"] = 6 # Sets length of ticks
plt.rcParams["ytick.major.size"] = 4 # Sets length of ticks
plt.rcParams["ytick.labelsize"] = 12 # Sets size of numbers on tick marks
plt.rcParams["xtick.labelsize"] = 12 # Sets size of numbers on tick marks
plt.rcParams["axes.titlesize"] = 14 # Overall title
plt.rcParams["axes.labelsize"] = 14 # Axes labels

Load in Opx compositions

[4]:

out_opxsheet=pt.import_excel('Two_pyroxene_input.xlsx', sheet_name="Opx")
Opxs2=out_opxsheet['Opxs']

Load in Cpx compositions

[5]:

out_cpxsheet=pt.import_excel('Two_pyroxene_input.xlsx', sheet_name="Cpx")
Cpxs2=out_cpxsheet['Cpxs']

[6]:

#  Inspect your inputs to check they have been read in properly
display(Opxs2.head())
display(Cpxs2.head())

	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	your_opx_sample_name_1
1	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.00	your_opx_sample_name_2
2	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	your_opx_sample_name_3
3	55.15	0.17	1.19	10.21	0.22	29.99	1.66	0.03	0.15	your_opx_sample_name_4
4	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	0.16	your_opx_sample_name_5

	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	your_cpx_sample_name_1
1	51.70	0.28	8.38	6.69	0.15	21.40	11.70	0.64	0.05	your_cpx_sample_name_2
2	51.50	0.45	8.10	6.96	0.17	20.30	12.60	0.56	0.09	your_cpx_sample_name_3
3	51.06	0.62	3.16	6.18	0.12	15.78	20.82	0.27	0.01	your_cpx_sample_name_4
4	53.32	0.48	2.25	5.92	0.15	16.91	20.73	0.28	0.12	your_cpx_sample_name_5

Example 1 - Assesing all possible combinations

The function “calculate_cpx_opx_press_temp_matching” first makes a dataframe which contains all possible Cpx-Opx combinations. This could be very large if you enter hundreds of compositions. This is fine, just be aware the calculations may take a few seconds.
As with touching pairs calculation, you need to specify your opx_comps= and cpx_comps=
You then also need to specify an equationT and an equationP
You then have various options to filter outputs. If you enter no other inuts, it will return pressures and temperatures for all Cpx-Opx matches. However, some of these are probably not in equilibrium
The function also has an option to filter based on the KdFe-Mg equilibrium between Cpx and Opx.
If you enter Kd_Match=“Subsolidus” it will only return pressures and temperatures for Cpx-Opx pairs which have Kd-Fe-Mg (Cpx-opx) within the 0.7+-0.2 suggested by Putirka
If you enter Kd Match=“HighTemp” it will only return pressures and temperatures for Cpx-Opx pairs which have Kd-Fe-Mg (cpx-opx) within the 1.09+-0.14 suggested by Putirka
If you want more flexibility still, you can enter Kd_Match=, and Kd_Err=, which will accept all pairs with a Kd value of say Kd_Match, +-Kd_Err
The function then returns a dictionary. Within this dictionary are 2 different types of outputs
“Av_PTs_perCPX” - Averages the pressures and temperatures for all the matches for a given cpx (Similar to the method used for Cpx-Liq by Neave and Putirka (2017)
“Av_PTs_perOPX” - Averages the pressures and temperatures for all the matches for a given opx (Similar to the method used for Cpx-Liq by Neave and Putirka (2017)
“All_PTs” returns all matches which have passed the Kd filters (if any were specified)

1a - No filtering based on Kd

Solve PT for all Cpx-Opx pairs, with no Kd filter using equation 39 of Putirka for P, and 36 for T
The function returns a dictionary containing three dataframes. These have keys ‘Av_PTs_perCPX’, ‘Av_PTs_perOPX’, and ‘All_PTs’
Av_PTs_perCPX averages P and T for each Cpx (e.g., if Cpx1 matches Opx1, Opx5 and Opx 6, averages all those Ps and Ts, returns a signal number).
Av_PTs_perOPX averages all matches per Cpx.
‘All_PTs’ returns every Opx-Cpx pair, with no averaging.

[7]:

MatchOut=pt.calculate_cpx_opx_press_temp_matching(opx_comps=Opxs2, cpx_comps=Cpxs2,
                    equationP="P_Put2008_eq39", equationT="T_Put2008_eq36",
                                                 return_all_pairs=True)
# These lines split the dictionary into three dataframes
Av_Cpxs=MatchOut['Av_PTs_perCPX']
Av_Opxs=MatchOut['Av_PTs_perOPX']
All_matches=MatchOut['All_PTs']
All_matches.head()

Considering N=23 Cpx & N=19 Opx, which is a total of N=437 Cpx-Opx pairs, be patient if this is >>1 million!
No Kd selected, all matches are shown
Done!!! I found a total of N=437 Cpx-Opx matches using the specified filter.
N=23 Cpx out of the N=23 Cpx that you input matched to 1 or more Opx
N=19 Opx out of the N=19 Opx that you input matched to 1 or more Cpx
Done!

[7]:

	Sample_ID_Opx	Sample_ID_Cpx	Kd_Fe_Mg_Cpx_Opx	T_K_calc	P_kbar_calc	Equation Choice (T)	Equation Choice (P)	SiO2_Opx	TiO2_Opx	Al2O3_Opx	FeOt_Opx	MnO_Opx	MgO_Opx	CaO_Opx	Na2O_Opx	Cr2O3_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	Ca_CaMgFe	NaAlSi2O6	FmTiAlSiO6	CrAl2SiO6	FmAl2SiO6	CaFmSi2O6	Fm2Si2O6	En_Opx	Di_Opx	Mgno_OPX	ID_OPX	SiO2_Cpx	TiO2_Cpx	Al2O3_Cpx	FeOt_Cpx	MnO_Cpx	MgO_Cpx	CaO_Cpx	Na2O_Cpx	Cr2O3_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	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
0	your_opx_sample_name_1	your_cpx_sample_name_1	0.834684	1258.526669	3.380885	T_Put2008_eq36	P_Put2008_eq39	55.00	0.34	1.50	11.30	0.24	30.70	0.90	0.01	0.19	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	0.442596	0.000685	0.009038	0.005308	0.000146	0.034078	0.957618	0.790815	0.028142	0.828850	0.0	52.3	0.7	3.0	5.1	0.11	16.6	21.5	0.33	0.58	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	0.017164	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
1	your_opx_sample_name_2	your_cpx_sample_name_1	1.065157	1403.925666	13.493433	T_Put2008_eq36	P_Put2008_eq39	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.00	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	0.442596	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	52.3	0.7	3.0	5.1	0.11	16.6	21.5	0.33	0.58	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	0.043089	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
2	your_opx_sample_name_3	your_cpx_sample_name_1	1.019441	1397.201768	11.274875	T_Put2008_eq36	P_Put2008_eq39	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	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	0.442596	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	2.0	52.3	0.7	3.0	5.1	0.11	16.6	21.5	0.33	0.58	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	0.047527	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
3	your_opx_sample_name_4	your_cpx_sample_name_1	0.902429	1294.454439	4.601071	T_Put2008_eq36	P_Put2008_eq39	55.15	0.17	1.19	10.21	0.22	29.99	1.66	0.03	0.15	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	0.442596	0.002076	0.004565	0.004233	0.012486	0.063492	0.913443	0.764291	0.053125	0.839637	3.0	52.3	0.7	3.0	5.1	0.11	16.6	21.5	0.33	0.58	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	0.032324	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
4	your_opx_sample_name_5	your_cpx_sample_name_1	0.932864	1275.837500	5.280842	T_Put2008_eq36	P_Put2008_eq39	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	0.16	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	0.442596	0.001357	0.003423	0.004427	0.023651	0.039377	0.925110	0.777706	0.033103	0.844054	4.0	52.3	0.7	3.0	5.1	0.11	16.6	21.5	0.33	0.58	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	0.020211	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

[8]:

Av_Cpxs.head()

[8]:

	Sample_ID_Cpx	Mean_T_K_calc	Std_T_K_calc	Mean_P_kbar_calc	Std_P_kbar_calc	ID_CPX	Mean_Kd_Fe_Mg_Cpx_Opx	Mean_Delta_T_K_Iter	Mean_Delta_P_kbar_Iter	Mean_SiO2_Opx	Mean_TiO2_Opx	Mean_Al2O3_Opx	Mean_FeOt_Opx	Mean_MnO_Opx	Mean_MgO_Opx	Mean_CaO_Opx	Mean_Na2O_Opx	Mean_Cr2O3_Opx	Mean_Si_Opx_cat_6ox	Mean_Mg_Opx_cat_6ox	Mean_Fet_Opx_cat_6ox	Mean_Ca_Opx_cat_6ox	Mean_Al_Opx_cat_6ox	Mean_Na_Opx_cat_6ox	Mean_Mn_Opx_cat_6ox	Mean_Ti_Opx_cat_6ox	Mean_Cr_Opx_cat_6ox	Mean_Al_IV_Opx_cat_6ox	Mean_Al_VI_Opx_cat_6ox	Mean_Si_Ti_Opx_cat_6ox	Mean_En_Simple_MgFeCa_Opx	Mean_Fs_Simple_MgFeCa_Opx	Mean_Wo_Simple_MgFeCa_Opx	Mean_Cation_Sum_Opx	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_NaAlSi2O6	Mean_FmTiAlSiO6	Mean_CrAl2SiO6	Mean_FmAl2SiO6	Mean_CaFmSi2O6	Mean_Fm2Si2O6	Mean_En_Opx	Mean_Di_Opx	Mean_Mgno_OPX	Mean_ID_OPX	Mean_SiO2_Cpx	Mean_TiO2_Cpx	Mean_Al2O3_Cpx	Mean_FeOt_Cpx	Mean_MnO_Cpx	Mean_MgO_Cpx	Mean_CaO_Cpx	Mean_Na2O_Cpx	Mean_Cr2O3_Cpx	Mean_Si_Cpx_cat_6ox	Mean_Mg_Cpx_cat_6ox	Mean_Fet_Cpx_cat_6ox	Mean_Ca_Cpx_cat_6ox	Mean_Al_Cpx_cat_6ox	Mean_Na_Cpx_cat_6ox	Mean_Mn_Cpx_cat_6ox	Mean_Ti_Cpx_cat_6ox	Mean_Cr_Cpx_cat_6ox	Mean_Al_IV_cat_6ox	Mean_Al_VI_cat_6ox	Mean_En_Simple_MgFeCa_Cpx	Mean_Fs_Simple_MgFeCa_Cpx	Mean_Wo_Simple_MgFeCa_Cpx	Mean_Cation_Sum_Cpx	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Lindley_Fe3_Cpx	Mean_Lindley_Fe2_Cpx	Mean_Lindley_Fe3_Cpx_prop	Mean_CrCaTs	Mean_a_cpx_En	Mean_Mgno_Cpx	Mean_Jd	Mean_CaTs	Mean_CaTi	Mean_DiHd_1996	Mean_EnFs	Mean_DiHd_2003	Mean_Di_Cpx	Mean_FeIII_Wang21	Mean_FeII_Wang21	Std_Kd_Fe_Mg_Cpx_Opx	Std_Delta_T_K_Iter	Std_Delta_P_kbar_Iter	Std_SiO2_Opx	Std_TiO2_Opx	Std_Al2O3_Opx	Std_FeOt_Opx	Std_MnO_Opx	Std_MgO_Opx	Std_CaO_Opx	Std_Na2O_Opx	Std_Cr2O3_Opx	Std_Si_Opx_cat_6ox	Std_Mg_Opx_cat_6ox	Std_Fet_Opx_cat_6ox	Std_Ca_Opx_cat_6ox	Std_Al_Opx_cat_6ox	Std_Na_Opx_cat_6ox	Std_Mn_Opx_cat_6ox	Std_Ti_Opx_cat_6ox	Std_Cr_Opx_cat_6ox	Std_Al_IV_Opx_cat_6ox	Std_Al_VI_Opx_cat_6ox	Std_Si_Ti_Opx_cat_6ox	Std_En_Simple_MgFeCa_Opx	Std_Fs_Simple_MgFeCa_Opx	Std_Wo_Simple_MgFeCa_Opx	Std_Cation_Sum_Opx	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_NaAlSi2O6	Std_FmTiAlSiO6	Std_CrAl2SiO6	Std_FmAl2SiO6	Std_CaFmSi2O6	Std_Fm2Si2O6	Std_En_Opx	Std_Di_Opx	Std_Mgno_OPX	Std_ID_OPX	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe
0	your_cpx_sample_name_1	1376.258932	58.996749	9.035946	4.823666	0.0	1.339100	0.000000e+00	4.487638e-15	54.043158	0.156842	5.551053	7.365789	0.120526	30.183684	2.043158	0.105789	0.488421	1.88288	1.56576	0.215204	0.076204	0.227681	0.007162	0.003572	0.004144	0.013406	0.11712	0.110562	1.887024	0.842352	0.116339	0.041309	3.996014	0.041309	0.442596	0.041309	0.442596	0.041309	0.442596	0.041309	0.442596	0.007162	0.004144	0.013406	0.089993	0.076204	0.807097	0.708485	0.067103	0.878751	9.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.58	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	0.041309	0.442596	0.041309	0.442596	0.041309	0.442596	0.041309	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	0.355581	0.000000e+00	1.064775e-14	1.089649	0.138205	2.437681	1.846228	0.089036	2.527206	0.523217	0.087516	0.499158	0.047542	0.113799	0.056815	0.019363	0.10045	0.005979	0.002653	0.003701	0.013684	0.047542	0.071711	0.047923	0.030156	0.032077	0.011049	0.032604	0.011049	0.011049	0.011049	0.011049	0.005979	0.003701	0.013684	0.07455	0.019363	0.092242	0.085885	0.018033	0.033068	5.627314	0.011049	0.011049	0.011049	0.011049
1	your_cpx_sample_name_2	1529.439055	104.101609	9.413405	8.291227	1.0	1.362584	7.314491e-10	7.704976e-11	54.043158	0.156842	5.551053	7.365789	0.120526	30.183684	2.043158	0.105789	0.488421	1.88288	1.56576	0.215204	0.076204	0.227681	0.007162	0.003572	0.004144	0.013406	0.11712	0.110562	1.887024	0.842352	0.116339	0.041309	3.996014	0.041309	0.250554	0.041309	0.250554	0.041309	0.250554	0.041309	0.250554	0.007162	0.004144	0.013406	0.089993	0.076204	0.807097	0.708485	0.067103	0.878751	9.0	51.70	0.28	8.38	6.69	0.15	21.40	11.70	0.64	0.05	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	0.041309	0.250554	0.041309	0.250554	0.041309	0.250554	0.041309	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	0.361817	1.728636e-09	1.783753e-10	1.089649	0.138205	2.437681	1.846228	0.089036	2.527206	0.523217	0.087516	0.499158	0.047542	0.113799	0.056815	0.019363	0.10045	0.005979	0.002653	0.003701	0.013684	0.047542	0.071711	0.047923	0.030156	0.032077	0.011049	0.032604	0.011049	0.011049	0.011049	0.011049	0.005979	0.003701	0.013684	0.07455	0.019363	0.092242	0.085885	0.018033	0.033068	5.627314	0.011049	0.011049	0.011049	0.011049
2	your_cpx_sample_name_3	1527.130815	101.695285	9.586538	7.959310	2.0	1.494390	6.017265e-10	6.386059e-11	54.043158	0.156842	5.551053	7.365789	0.120526	30.183684	2.043158	0.105789	0.488421	1.88288	1.56576	0.215204	0.076204	0.227681	0.007162	0.003572	0.004144	0.013406	0.11712	0.110562	1.887024	0.842352	0.116339	0.041309	3.996014	0.041309	0.272275	0.041309	0.272275	0.041309	0.272275	0.041309	0.272275	0.007162	0.004144	0.013406	0.089993	0.076204	0.807097	0.708485	0.067103	0.878751	9.0	51.50	0.45	8.10	6.96	0.17	20.30	12.60	0.56	0.09	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	0.041309	0.272275	0.041309	0.272275	0.041309	0.272275	0.041309	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	0.396817	1.397978e-09	1.453496e-10	1.089649	0.138205	2.437681	1.846228	0.089036	2.527206	0.523217	0.087516	0.499158	0.047542	0.113799	0.056815	0.019363	0.10045	0.005979	0.002653	0.003701	0.013684	0.047542	0.071711	0.047923	0.030156	0.032077	0.011049	0.032604	0.011049	0.011049	0.011049	0.011049	0.005979	0.003701	0.013684	0.07455	0.019363	0.092242	0.085885	0.018033	0.033068	5.627314	0.011049	0.011049	0.011049	0.011049
3	your_cpx_sample_name_4	1356.959619	56.491130	7.778767	4.732159	3.0	1.706995	0.000000e+00	0.000000e+00	54.043158	0.156842	5.551053	7.365789	0.120526	30.183684	2.043158	0.105789	0.488421	1.88288	1.56576	0.215204	0.076204	0.227681	0.007162	0.003572	0.004144	0.013406	0.11712	0.110562	1.887024	0.842352	0.116339	0.041309	3.996014	0.041309	0.437404	0.041309	0.437404	0.041309	0.437404	0.041309	0.437404	0.007162	0.004144	0.013406	0.089993	0.076204	0.807097	0.708485	0.067103	0.878751	9.0	51.06	0.62	3.16	6.18	0.12	15.78	20.82	0.27	0.01	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	0.041309	0.437404	0.041309	0.437404	0.041309	0.437404	0.041309	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	0.453272	0.000000e+00	0.000000e+00	1.089649	0.138205	2.437681	1.846228	0.089036	2.527206	0.523217	0.087516	0.499158	0.047542	0.113799	0.056815	0.019363	0.10045	0.005979	0.002653	0.003701	0.013684	0.047542	0.071711	0.047923	0.030156	0.032077	0.011049	0.032604	0.011049	0.011049	0.011049	0.011049	0.005979	0.003701	0.013684	0.07455	0.019363	0.092242	0.085885	0.018033	0.033068	5.627314	0.011049	0.011049	0.011049	0.011049
4	your_cpx_sample_name_5	1387.045132	61.619287	9.688642	4.948903	4.0	1.525910	4.786814e-14	1.196704e-14	54.043158	0.156842	5.551053	7.365789	0.120526	30.183684	2.043158	0.105789	0.488421	1.88288	1.56576	0.215204	0.076204	0.227681	0.007162	0.003572	0.004144	0.013406	0.11712	0.110562	1.887024	0.842352	0.116339	0.041309	3.996014	0.041309	0.424114	0.041309	0.424114	0.041309	0.424114	0.041309	0.424114	0.007162	0.004144	0.013406	0.089993	0.076204	0.807097	0.708485	0.067103	0.878751	9.0	53.32	0.48	2.25	5.92	0.15	16.91	20.73	0.28	0.12	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	0.041309	0.424114	0.041309	0.424114	0.041309	0.424114	0.041309	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	0.405187	1.433826e-13	2.562474e-14	1.089649	0.138205	2.437681	1.846228	0.089036	2.527206	0.523217	0.087516	0.499158	0.047542	0.113799	0.056815	0.019363	0.10045	0.005979	0.002653	0.003701	0.013684	0.047542	0.071711	0.047923	0.030156	0.032077	0.011049	0.032604	0.011049	0.011049	0.011049	0.011049	0.005979	0.003701	0.013684	0.07455	0.019363	0.092242	0.085885	0.018033	0.033068	5.627314	0.011049	0.011049	0.011049	0.011049

[9]:

Av_Opxs.head()

[9]:

	Sample_ID_Opx	Mean_T_K_calc	Std_T_K_calc	Mean_P_kbar_calc	Std_P_kbar_calc	ID_OPX	Mean_Kd_Fe_Mg_Cpx_Opx	Mean_Delta_T_K_Iter	Mean_Delta_P_kbar_Iter	Mean_SiO2_Opx	Mean_TiO2_Opx	Mean_Al2O3_Opx	Mean_FeOt_Opx	Mean_MnO_Opx	Mean_MgO_Opx	Mean_CaO_Opx	Mean_Na2O_Opx	Mean_Cr2O3_Opx	Mean_Si_Opx_cat_6ox	Mean_Mg_Opx_cat_6ox	Mean_Fet_Opx_cat_6ox	Mean_Ca_Opx_cat_6ox	Mean_Al_Opx_cat_6ox	Mean_Na_Opx_cat_6ox	Mean_Mn_Opx_cat_6ox	Mean_Ti_Opx_cat_6ox	Mean_Cr_Opx_cat_6ox	Mean_Al_IV_Opx_cat_6ox	Mean_Al_VI_Opx_cat_6ox	Mean_Si_Ti_Opx_cat_6ox	Mean_En_Simple_MgFeCa_Opx	Mean_Fs_Simple_MgFeCa_Opx	Mean_Wo_Simple_MgFeCa_Opx	Mean_Cation_Sum_Opx	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_NaAlSi2O6	Mean_FmTiAlSiO6	Mean_CrAl2SiO6	Mean_FmAl2SiO6	Mean_CaFmSi2O6	Mean_Fm2Si2O6	Mean_En_Opx	Mean_Di_Opx	Mean_Mgno_OPX	Mean_SiO2_Cpx	Mean_TiO2_Cpx	Mean_Al2O3_Cpx	Mean_FeOt_Cpx	Mean_MnO_Cpx	Mean_MgO_Cpx	Mean_CaO_Cpx	Mean_Na2O_Cpx	Mean_Cr2O3_Cpx	Mean_Si_Cpx_cat_6ox	Mean_Mg_Cpx_cat_6ox	Mean_Fet_Cpx_cat_6ox	Mean_Ca_Cpx_cat_6ox	Mean_Al_Cpx_cat_6ox	Mean_Na_Cpx_cat_6ox	Mean_Mn_Cpx_cat_6ox	Mean_Ti_Cpx_cat_6ox	Mean_Cr_Cpx_cat_6ox	Mean_Al_IV_cat_6ox	Mean_Al_VI_cat_6ox	Mean_En_Simple_MgFeCa_Cpx	Mean_Fs_Simple_MgFeCa_Cpx	Mean_Wo_Simple_MgFeCa_Cpx	Mean_Cation_Sum_Cpx	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Ca_CaMgFe	Mean_Lindley_Fe3_Cpx	Mean_Lindley_Fe2_Cpx	Mean_Lindley_Fe3_Cpx_prop	Mean_CrCaTs	Mean_a_cpx_En	Mean_Mgno_Cpx	Mean_Jd	Mean_CaTs	Mean_CaTi	Mean_DiHd_1996	Mean_EnFs	Mean_DiHd_2003	Mean_Di_Cpx	Mean_FeIII_Wang21	Mean_FeII_Wang21	Mean_ID_CPX	Std_Kd_Fe_Mg_Cpx_Opx	Std_Delta_T_K_Iter	Std_Delta_P_kbar_Iter	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_SiO2_Cpx	Std_TiO2_Cpx	Std_Al2O3_Cpx	Std_FeOt_Cpx	Std_MnO_Cpx	Std_MgO_Cpx	Std_CaO_Cpx	Std_Na2O_Cpx	Std_Cr2O3_Cpx	Std_Si_Cpx_cat_6ox	Std_Mg_Cpx_cat_6ox	Std_Fet_Cpx_cat_6ox	Std_Ca_Cpx_cat_6ox	Std_Al_Cpx_cat_6ox	Std_Na_Cpx_cat_6ox	Std_Mn_Cpx_cat_6ox	Std_Ti_Cpx_cat_6ox	Std_Cr_Cpx_cat_6ox	Std_Al_IV_cat_6ox	Std_Al_VI_cat_6ox	Std_En_Simple_MgFeCa_Cpx	Std_Fs_Simple_MgFeCa_Cpx	Std_Wo_Simple_MgFeCa_Cpx	Std_Cation_Sum_Cpx	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Ca_CaMgFe	Std_Lindley_Fe3_Cpx	Std_Lindley_Fe2_Cpx	Std_Lindley_Fe3_Cpx_prop	Std_CrCaTs	Std_a_cpx_En	Std_Mgno_Cpx	Std_Jd	Std_CaTs	Std_CaTi	Std_DiHd_1996	Std_EnFs	Std_DiHd_2003	Std_Di_Cpx	Std_FeIII_Wang21	Std_FeII_Wang21	Std_ID_CPX
0	your_opx_sample_name_1	1317.503995	45.344365	-5.424939	4.938780	0.0	0.714370	0.000000e+00	0.000000e+00	55.00	0.34	1.50	11.30	0.24	30.70	0.90	0.01	0.19	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	0.317116	0.017164	0.317116	0.017164	0.317116	0.017164	0.317116	0.000685	0.009038	0.005308	0.000146	0.034078	0.957618	0.790815	0.028142	0.828850	51.96913	0.329565	6.663478	5.200435	0.097391	19.974783	14.860435	0.565217	0.672609	1.859743	1.064476	0.155659	0.571174	0.28024	0.039128	0.002951	0.008903	0.019017	0.140257	0.139983	0.595503	0.087381	0.317116	4.00129	0.017164	0.317116	0.017164	0.317116	0.017164	0.317116	0.017164	0.317116	0.006863	0.148796	0.047069	0.009508	0.319448	0.872478	0.039128	0.100855	0.019701	0.44111	0.389513	0.44111	0.384292	0.00258	0.153079	11.0	0.196241	0.000000e+00	0.000000e+00	0.072279	0.072279	0.072279	0.072279	0.782205	0.249007	2.238032	1.320511	0.074968	2.100543	3.640008	0.381538	0.604304	0.034603	0.101762	0.039602	0.146748	0.092659	0.026345	0.002266	0.006776	0.017071	0.034603	0.060359	0.062294	0.024263	0.072279	0.006943	0.072279	0.072279	0.072279	0.072279	0.007758	0.041035	0.055268	0.008536	0.104506	0.030411	0.026345	0.041212	0.009033	0.173612	0.13467	0.173612	0.14845	0.013885	0.038842	6.78233
1	your_opx_sample_name_2	1594.359117	103.691438	18.135571	3.263089	1.0	0.911622	5.604314e-08	4.992042e-09	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.00	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	0.317116	0.043089	0.317116	0.043089	0.317116	0.043089	0.317116	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	51.96913	0.329565	6.663478	5.200435	0.097391	19.974783	14.860435	0.565217	0.672609	1.859743	1.064476	0.155659	0.571174	0.28024	0.039128	0.002951	0.008903	0.019017	0.140257	0.139983	0.595503	0.087381	0.317116	4.00129	0.043089	0.317116	0.043089	0.317116	0.043089	0.317116	0.043089	0.317116	0.006863	0.148796	0.047069	0.009508	0.319448	0.872478	0.039128	0.100855	0.019701	0.44111	0.389513	0.44111	0.384292	0.00258	0.153079	11.0	0.250427	1.758328e-07	1.540488e-08	0.072279	0.072279	0.072279	0.072279	0.782205	0.249007	2.238032	1.320511	0.074968	2.100543	3.640008	0.381538	0.604304	0.034603	0.101762	0.039602	0.146748	0.092659	0.026345	0.002266	0.006776	0.017071	0.034603	0.060359	0.062294	0.024263	0.072279	0.006943	0.072279	0.072279	0.072279	0.072279	0.007758	0.041035	0.055268	0.008536	0.104506	0.030411	0.026345	0.041212	0.009033	0.173612	0.13467	0.173612	0.14845	0.013885	0.038842	6.78233
2	your_opx_sample_name_3	1591.794980	104.718769	16.652618	3.492564	2.0	0.872496	5.658445e-08	5.020804e-09	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	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	0.317116	0.047527	0.317116	0.047527	0.317116	0.047527	0.317116	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	51.96913	0.329565	6.663478	5.200435	0.097391	19.974783	14.860435	0.565217	0.672609	1.859743	1.064476	0.155659	0.571174	0.28024	0.039128	0.002951	0.008903	0.019017	0.140257	0.139983	0.595503	0.087381	0.317116	4.00129	0.047527	0.317116	0.047527	0.317116	0.047527	0.317116	0.047527	0.317116	0.006863	0.148796	0.047069	0.009508	0.319448	0.872478	0.039128	0.100855	0.019701	0.44111	0.389513	0.44111	0.384292	0.00258	0.153079	11.0	0.239679	1.903718e-07	1.659838e-08	0.072279	0.072279	0.072279	0.072279	0.782205	0.249007	2.238032	1.320511	0.074968	2.100543	3.640008	0.381538	0.604304	0.034603	0.101762	0.039602	0.146748	0.092659	0.026345	0.002266	0.006776	0.017071	0.034603	0.060359	0.062294	0.024263	0.072279	0.006943	0.072279	0.072279	0.072279	0.072279	0.007758	0.041035	0.055268	0.008536	0.104506	0.030411	0.026345	0.041212	0.009033	0.173612	0.13467	0.173612	0.14845	0.013885	0.038842	6.78233
3	your_opx_sample_name_4	1413.938091	64.419512	4.635314	1.698853	3.0	0.772350	8.501798e-13	1.149226e-13	55.15	0.17	1.19	10.21	0.22	29.99	1.66	0.03	0.15	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	0.317116	0.032324	0.317116	0.032324	0.317116	0.032324	0.317116	0.002076	0.004565	0.004233	0.012486	0.063492	0.913443	0.764291	0.053125	0.839637	51.96913	0.329565	6.663478	5.200435	0.097391	19.974783	14.860435	0.565217	0.672609	1.859743	1.064476	0.155659	0.571174	0.28024	0.039128	0.002951	0.008903	0.019017	0.140257	0.139983	0.595503	0.087381	0.317116	4.00129	0.032324	0.317116	0.032324	0.317116	0.032324	0.317116	0.032324	0.317116	0.006863	0.148796	0.047069	0.009508	0.319448	0.872478	0.039128	0.100855	0.019701	0.44111	0.389513	0.44111	0.384292	0.00258	0.153079	11.0	0.212168	2.085287e-12	2.688790e-13	0.072279	0.072279	0.072279	0.072279	0.782205	0.249007	2.238032	1.320511	0.074968	2.100543	3.640008	0.381538	0.604304	0.034603	0.101762	0.039602	0.146748	0.092659	0.026345	0.002266	0.006776	0.017071	0.034603	0.060359	0.062294	0.024263	0.072279	0.006943	0.072279	0.072279	0.072279	0.072279	0.007758	0.041035	0.055268	0.008536	0.104506	0.030411	0.026345	0.041212	0.009033	0.173612	0.13467	0.173612	0.14845	0.013885	0.038842	6.78233
4	your_opx_sample_name_5	1351.787949	50.226101	-0.984173	3.756096	4.0	0.798398	0.000000e+00	0.000000e+00	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	0.16	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	0.317116	0.020211	0.317116	0.020211	0.317116	0.020211	0.317116	0.001357	0.003423	0.004427	0.023651	0.039377	0.925110	0.777706	0.033103	0.844054	51.96913	0.329565	6.663478	5.200435	0.097391	19.974783	14.860435	0.565217	0.672609	1.859743	1.064476	0.155659	0.571174	0.28024	0.039128	0.002951	0.008903	0.019017	0.140257	0.139983	0.595503	0.087381	0.317116	4.00129	0.020211	0.317116	0.020211	0.317116	0.020211	0.317116	0.020211	0.317116	0.006863	0.148796	0.047069	0.009508	0.319448	0.872478	0.039128	0.100855	0.019701	0.44111	0.389513	0.44111	0.384292	0.00258	0.153079	11.0	0.219324	0.000000e+00	0.000000e+00	0.072279	0.072279	0.072279	0.072279	0.782205	0.249007	2.238032	1.320511	0.074968	2.100543	3.640008	0.381538	0.604304	0.034603	0.101762	0.039602	0.146748	0.092659	0.026345	0.002266	0.006776	0.017071	0.034603	0.060359	0.062294	0.024263	0.072279	0.006943	0.072279	0.072279	0.072279	0.072279	0.007758	0.041035	0.055268	0.008536	0.104506	0.030411	0.026345	0.041212	0.009033	0.173612	0.13467	0.173612	0.14845	0.013885	0.038842	6.78233

1b- High T Kd filter

Applies the high temperature Kd filter suggested by Putirka (2008)
Returns only matches in equilibrium using this filter (Kd=1.09+-0.14 )

[11]:

MatchOut_HighTKdFilt=pt.calculate_cpx_opx_press_temp_matching(opx_comps=Opxs2, cpx_comps=Cpxs2,
                    equationP="P_Put2008_eq39", equationT="T_Put2008_eq36", Kd_Match="HighTemp")
# These  lines split the dictionary into three dataframes
Av_Cpxs_HighTKdFilt=MatchOut_HighTKdFilt['Av_PTs_perCPX']
Av_Opxs_HighTKdFilt=MatchOut_HighTKdFilt['Av_PTs_perOPX']
All_matches_HighTKdFilt=MatchOut_HighTKdFilt['All_PTs']
All_matches_HighTKdFilt

Considering 437 Opx-Cpx pairs, be patient if this is >>1 million!
Done!

[11]:

	Sample_ID_Opx	Sample_ID_Cpx	Kd_Fe_Mg_Cpx_Opx	T_K_calc	P_kbar_calc	Equation Choice (T)	Equation Choice (P)	SiO2_Opx	TiO2_Opx	Al2O3_Opx	FeOt_Opx	MnO_Opx	MgO_Opx	CaO_Opx	Na2O_Opx	K2O_Opx	Cr2O3_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	Ca_CaMgFe	NaAlSi2O6	FmTiAlSiO6	CrAl2SiO6	FmAl2SiO6	CaFmSi2O6	Fm2Si2O6	En_Opx	Di_Opx	Mgno_OPX	ID_OPX	SiO2_Cpx	TiO2_Cpx	Al2O3_Cpx	FeOt_Cpx	MnO_Cpx	MgO_Cpx	CaO_Cpx	Na2O_Cpx	K2O_Cpx	Cr2O3_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	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	ID_CPX	Delta_Kd_Fe_Mg_Cpx_Opx
1	your_opx_sample_name_2	your_cpx_sample_name_1	1.065157	1403.925666	13.493433	T_Put2008_eq36	P_Put2008_eq39	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.0	0.00	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	0.442596	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.043089	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.024843
2	your_opx_sample_name_3	your_cpx_sample_name_1	1.019441	1397.201768	11.274875	T_Put2008_eq36	P_Put2008_eq39	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.0	0.02	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	0.442596	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	2.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.047527	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.070559
17	your_opx_sample_name_18	your_cpx_sample_name_1	1.145797	1413.703369	13.885440	T_Put2008_eq36	P_Put2008_eq39	52.60	0.28	8.60	7.91	0.12	29.50	2.11	0.15	0.0	0.00	1.814573	1.517118	0.228203	0.077991	0.349659	0.010033	0.0	0.003506	0.007266	0.000000	0.0	0.185427	0.164232	1.821839	0.832067	0.125158	0.042774	4.008348	0.042774	0.442596	0.010033	0.007266	0.000000	0.154199	0.077991	0.754686	0.654694	0.067658	0.869245	17.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.042774	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.055797
18	your_opx_sample_name_19	your_cpx_sample_name_1	1.101575	1438.940404	12.434324	T_Put2008_eq36	P_Put2008_eq39	52.95	0.52	7.43	8.01	0.00	28.72	1.93	0.27	0.0	0.16	1.848702	1.494838	0.233878	0.072199	0.305736	0.018277	0.0	0.000000	0.013656	0.004416	0.0	0.151298	0.154439	1.862359	0.830044	0.129866	0.040090	3.991704	0.040090	0.442596	0.018277	0.013656	0.004416	0.131745	0.072199	0.755558	0.653338	0.062431	0.864706	18.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.040090	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.011575
20	your_opx_sample_name_2	your_cpx_sample_name_2	1.083837	1577.081747	15.878754	T_Put2008_eq36	P_Put2008_eq39	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.0	0.00	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	0.250554	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	51.70	0.28	8.38	6.69	0.15	21.40	11.70	0.64	0.0	0.05	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	0.043089	0.250554	0.017260	0.180814	0.087138	0.000700	0.411086	0.850790	0.043931	0.0	0.136078	0.016786	0.290252	0.518634	0.290252	0.246111	0.017260	0.180814	1.0	0.006163
...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...
410	your_opx_sample_name_12	your_cpx_sample_name_22	1.005609	1622.618136	16.813113	T_Put2008_eq36	P_Put2008_eq39	53.30	0.16	7.50	5.40	0.00	30.60	2.30	0.00	0.0	0.76	1.842181	1.576649	0.156083	0.085174	0.305508	0.000000	0.0	0.000000	0.004160	0.020767	0.0	0.157819	0.147689	1.846341	0.867289	0.085859	0.046853	3.990522	0.046853	0.371855	0.000000	0.004160	0.020767	0.126923	0.085174	0.758238	0.689937	0.077501	0.909918	11.0	52.98	0.14	5.04	3.48	0.11	19.61	17.76	0.23	0.0	1.36	1.890087	1.042932	0.103826	0.678869	0.211913	0.015909	0.0	0.003324	0.003757	0.038358	0.0	0.109913	0.102000	0.571273	0.056871	0.371855	3.988975	0.046853	0.371855	0.000000	0.103826	0.000000	0.019179	0.264600	0.909459	0.015909	0.0	0.086091	0.011911	0.561688	0.292535	0.561688	0.509357	-0.022050	0.125876	21.0	0.084391
425	your_opx_sample_name_8	your_cpx_sample_name_23	1.024936	1568.801072	10.572523	T_Put2008_eq36	P_Put2008_eq39	55.20	0.00	3.30	5.60	0.00	32.70	2.00	0.00	0.0	1.30	1.910589	1.687270	0.162096	0.074171	0.134617	0.000000	0.0	0.000000	0.000000	0.035573	0.0	0.089411	0.045206	1.910589	0.877171	0.084270	0.038559	4.004316	0.038559	0.350958	0.000000	0.000000	0.035573	0.009633	0.074171	0.882781	0.805406	0.067670	0.912348	7.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.038559	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.065064
427	your_opx_sample_name_10	your_cpx_sample_name_23	0.979958	1566.705787	8.891517	T_Put2008_eq36	P_Put2008_eq39	54.20	0.06	4.30	5.66	0.19	31.60	2.68	0.04	0.0	1.30	1.884710	1.638102	0.164595	0.099851	0.176226	0.002697	0.0	0.005596	0.001569	0.035739	0.0	0.115290	0.060936	1.886280	0.861004	0.086513	0.052483	4.009086	0.052483	0.350958	0.002697	0.001569	0.035739	0.022501	0.099851	0.842186	0.762922	0.090453	0.908692	9.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.052483	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.110042
428	your_opx_sample_name_11	your_cpx_sample_name_23	0.956304	1573.124168	8.434367	T_Put2008_eq36	P_Put2008_eq39	54.50	0.09	3.90	5.80	0.19	31.60	2.70	0.08	0.0	1.30	1.893877	1.637008	0.168554	0.100529	0.159726	0.005390	0.0	0.005592	0.002352	0.035715	0.0	0.106123	0.053603	1.896229	0.858830	0.088429	0.052741	4.008745	0.052741	0.350958	0.005390	0.002352	0.035715	0.012498	0.100529	0.847887	0.766361	0.090863	0.906645	10.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.052741	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.133696
429	your_opx_sample_name_12	your_cpx_sample_name_23	0.994637	1670.336425	18.994230	T_Put2008_eq36	P_Put2008_eq39	53.30	0.16	7.50	5.40	0.00	30.60	2.30	0.00	0.0	0.76	1.842181	1.576649	0.156083	0.085174	0.305508	0.000000	0.0	0.000000	0.004160	0.020767	0.0	0.157819	0.147689	1.846341	0.867289	0.085859	0.046853	3.990522	0.046853	0.350958	0.000000	0.004160	0.020767	0.126923	0.085174	0.758238	0.689937	0.077501	0.909918	11.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.046853	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.095363

149 rows × 94 columns

Lets make a pretty plot, and save it to jpg

Here we plot the average P per Cpx and per Opx, as well as all matches underneath

[12]:

fig, ((ax1, ax2)) = plt.subplots(1, 2, figsize=(12, 5)) # This sets up 2 subplots

# Subplot1
# This plots all possible matches as small cyan dots, with a transparency of 0.5 underneath
ax1.plot(All_matches_HighTKdFilt['T_K_calc']-273.15,  All_matches_HighTKdFilt['P_kbar_calc'], '.c', alpha=0.5)
# This plots the average pressure per Cpx, with an error bar showing the 1 sigma on each Cpx.
ax1.errorbar(Av_Cpxs_HighTKdFilt['Mean_T_K_calc']-273.15,  Av_Cpxs_HighTKdFilt['Mean_P_kbar_calc'],
             xerr=Av_Cpxs_HighTKdFilt['Std_T_K_calc'], yerr=Av_Cpxs_HighTKdFilt['Std_P_kbar_calc'],
             fmt='d', ecolor='k', elinewidth=0.8, mfc='cyan', ms=8, mec='k')

ax1.set_xlabel('Temperature (°C)')
ax1.set_ylabel('Pressure (kbar)')
ax1.set_title('Average P per Cpx (+ error bars)')
# Subplot2

# This plots all possible matches as small cyan dots, with a transparency of 0.5 underneath
ax2.plot(All_matches_HighTKdFilt['T_K_calc']-273.15,  All_matches_HighTKdFilt['P_kbar_calc'], '.c', alpha=0.5)
# This plots the average pressure per Opx, with an error bar showing the 1 sigma on each Opx.
ax2.errorbar(Av_Opxs_HighTKdFilt['Mean_T_K_calc']-273.15,  Av_Opxs_HighTKdFilt['Mean_P_kbar_calc'],
             xerr=Av_Opxs_HighTKdFilt['Std_T_K_calc'], yerr=Av_Opxs_HighTKdFilt['Std_P_kbar_calc'],
             fmt='d', ecolor='k', elinewidth=0.8, mfc='cyan', ms=8, mec='k')
ax2.set_xlabel('Temperature (°C)')
ax2.set_ylabel('Pressure (kbar)')
ax2.set_title('Average P per Opx (+ error bars)')

ax1.invert_yaxis()
ax2.invert_yaxis()

fig.savefig('HighTMatches.png', dpi=200)

../../_images/Examples_Two_Pyroxene_Thermobarometry_Two_Pyroxene_Matching_19_0.png

Second plot option - Lets just plot all matches, with a big star for the average pressure and temperature

[13]:

fig, ((ax1)) = plt.subplots(1, figsize=(7, 5)) # This sets up 2 subplots

# Subplot1
# This plots all possible matches as small cyan dots, with a transparency of 0.5 underneath
ax1.plot(All_matches_HighTKdFilt['T_K_calc']-273.15,  All_matches_HighTKdFilt['P_kbar_calc'], '.c', alpha=0.5, label='All Matches')
# This plots the average pressure per Cpx, with an error bar showing the 1 sigma on each Cpx.
ax1.errorbar(np.mean(Av_Cpxs_HighTKdFilt['Mean_T_K_calc'])-273.15,  np.mean(Av_Cpxs_HighTKdFilt['Mean_P_kbar_calc']),
             xerr=np.std(Av_Cpxs_HighTKdFilt['Mean_T_K_calc']), yerr=np.std(Av_Cpxs_HighTKdFilt['Mean_P_kbar_calc']),
             fmt='*', ecolor='k', elinewidth=0.8, mfc='cyan', ms=25, mec='k', label='Av PT')

ax1.set_xlabel('Temperature (°C)')
ax1.set_ylabel('Pressure (kbar)')
ax1.invert_yaxis()
ax1.legend()

fig.savefig('HighTMatches_Overall_Average.png', dpi=200)

../../_images/Examples_Two_Pyroxene_Thermobarometry_Two_Pyroxene_Matching_21_0.png

1c - User-selected KdMatch and Kd_Err

Manually specify Kd Match and error window, e.g., here only keep matches with Kd=1 +- 0.08

[14]:

MatchOut_KdFilt2=pt.calculate_cpx_opx_press_temp_matching(opx_comps=Opxs2, cpx_comps=Cpxs2,
                    equationP="P_Put2008_eq39", equationT="T_Put2008_eq36", Kd_Match=1, Kd_Err=0.08)
# These two lines split the dictionary into two dataframes
Av_Cpxs_KdFilt2=MatchOut_KdFilt2['Av_PTs_perCPX']
All_matches_KdFilt2=MatchOut_KdFilt2['All_PTs']
All_matches_KdFilt2.head()

Considering 437 Opx-Cpx pairs, be patient if this is >>1 million!
Done!

[14]:

	Sample_ID_Opx	Sample_ID_Cpx	Kd_Fe_Mg_Cpx_Opx	T_K_calc	P_kbar_calc	Equation Choice (T)	Equation Choice (P)	SiO2_Opx	TiO2_Opx	Al2O3_Opx	FeOt_Opx	MnO_Opx	MgO_Opx	CaO_Opx	Na2O_Opx	Cr2O3_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	Ca_CaMgFe	NaAlSi2O6	FmTiAlSiO6	CrAl2SiO6	FmAl2SiO6	CaFmSi2O6	Fm2Si2O6	En_Opx	Di_Opx	Mgno_OPX	ID_OPX	SiO2_Cpx	TiO2_Cpx	Al2O3_Cpx	FeOt_Cpx	MnO_Cpx	MgO_Cpx	CaO_Cpx	Na2O_Cpx	Cr2O3_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	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	ID_CPX	Delta_Kd_Fe_Mg_Cpx_Opx
1	your_opx_sample_name_2	your_cpx_sample_name_1	1.065157	1403.925666	13.493433	T_Put2008_eq36	P_Put2008_eq39	52.70	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.00	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	0.442596	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	52.3	0.70	3.00	5.10	0.11	16.6	21.5	0.33	0.58	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	0.043089	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	0.0	0.065157
2	your_opx_sample_name_3	your_cpx_sample_name_1	1.019441	1397.201768	11.274875	T_Put2008_eq36	P_Put2008_eq39	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	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	0.442596	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	2.0	52.3	0.70	3.00	5.10	0.11	16.6	21.5	0.33	0.58	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	0.047527	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	0.0	0.019441
4	your_opx_sample_name_5	your_cpx_sample_name_1	0.932864	1275.837500	5.280842	T_Put2008_eq36	P_Put2008_eq39	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	0.16	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	0.442596	0.001357	0.003423	0.004427	0.023651	0.039377	0.925110	0.777706	0.033103	0.844054	4.0	52.3	0.70	3.00	5.10	0.11	16.6	21.5	0.33	0.58	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	0.020211	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	0.0	0.067136
21	your_opx_sample_name_3	your_cpx_sample_name_2	1.037319	1577.779664	14.800255	T_Put2008_eq36	P_Put2008_eq39	53.20	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.02	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	0.250554	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	2.0	51.7	0.28	8.38	6.69	0.15	21.4	11.7	0.64	0.05	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	0.047527	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	1.0	0.037319
23	your_opx_sample_name_5	your_cpx_sample_name_2	0.949224	1325.925604	-6.331383	T_Put2008_eq36	P_Put2008_eq39	56.32	0.13	1.41	10.17	0.26	30.88	1.05	0.02	0.16	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	0.250554	0.001357	0.003423	0.004427	0.023651	0.039377	0.925110	0.777706	0.033103	0.844054	4.0	51.7	0.28	8.38	6.69	0.15	21.4	11.7	0.64	0.05	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	0.020211	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	1.0	0.050776

1d - Calculations at a constant temperature

Say you want to calculate all matches, but you think you know temperatures better from independent constraints (E.g., Fe-Ti oxides). Thus, you enter a constant T (here 1300 K), and an equation for P

[16]:

MatchOut_HighTKdFilt=pt.calculate_cpx_opx_press_temp_matching(opx_comps=Opxs2, cpx_comps=Cpxs2,
                    equationP="P_Put2008_eq39", T=1300, Kd_Match="HighTemp")
# These two lines split the dictionary into two dataframes
Av_Cpxs_HighTKdFilt=MatchOut_HighTKdFilt['Av_PTs_perCPX']
All_matches_HighTKdFilt=MatchOut_HighTKdFilt['All_PTs']
All_matches_HighTKdFilt

Considering 437 Opx-Cpx pairs, be patient if this is >>1 million!
Done!

[16]:

	Sample_ID_Opx	Sample_ID_Cpx	Kd_Fe_Mg_Cpx_Opx	T_K_input	P_kbar_calc	SiO2_Opx	Equation Choice (P)	TiO2_Opx	Al2O3_Opx	FeOt_Opx	MnO_Opx	MgO_Opx	CaO_Opx	Na2O_Opx	K2O_Opx	Cr2O3_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	Ca_CaMgFe	NaAlSi2O6	FmTiAlSiO6	CrAl2SiO6	FmAl2SiO6	CaFmSi2O6	Fm2Si2O6	En_Opx	Di_Opx	Mgno_OPX	ID_OPX	SiO2_Cpx	TiO2_Cpx	Al2O3_Cpx	FeOt_Cpx	MnO_Cpx	MgO_Cpx	CaO_Cpx	Na2O_Cpx	K2O_Cpx	Cr2O3_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	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	ID_CPX	Delta_Kd_Fe_Mg_Cpx_Opx
1	your_opx_sample_name_2	your_cpx_sample_name_1	1.065157	1300	8.816778	52.70	P_Put2008_eq39	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.0	0.00	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	0.442596	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.043089	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.024843
2	your_opx_sample_name_3	your_cpx_sample_name_1	1.019441	1300	6.900795	53.20	P_Put2008_eq39	0.20	7.40	8.80	0.13	29.20	2.37	0.14	0.0	0.02	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	0.442596	0.009388	0.005203	0.000547	0.131669	0.087825	0.769585	0.656871	0.074962	0.855382	2.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.047527	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.070559
17	your_opx_sample_name_18	your_cpx_sample_name_1	1.145797	1300	8.768788	52.60	P_Put2008_eq39	0.28	8.60	7.91	0.12	29.50	2.11	0.15	0.0	0.00	1.814573	1.517118	0.228203	0.077991	0.349659	0.010033	0.0	0.003506	0.007266	0.000000	0.0	0.185427	0.164232	1.821839	0.832067	0.125158	0.042774	4.008348	0.042774	0.442596	0.010033	0.007266	0.000000	0.154199	0.077991	0.754686	0.654694	0.067658	0.869245	17.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.042774	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.055797
18	your_opx_sample_name_19	your_cpx_sample_name_1	1.101575	1300	6.182006	52.95	P_Put2008_eq39	0.52	7.43	8.01	0.00	28.72	1.93	0.27	0.0	0.16	1.848702	1.494838	0.233878	0.072199	0.305736	0.018277	0.0	0.000000	0.013656	0.004416	0.0	0.151298	0.154439	1.862359	0.830044	0.129866	0.040090	3.991704	0.040090	0.442596	0.018277	0.013656	0.004416	0.131745	0.072199	0.755558	0.653338	0.062431	0.864706	18.0	52.30	0.70	3.00	5.10	0.11	16.60	21.50	0.33	0.0	0.58	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	0.040090	0.442596	0.014485	0.141454	0.092887	0.008383	0.122977	0.852984	0.023393	0.0	0.018064	0.034876	0.780925	0.139899	0.780925	0.663987	0.014485	0.141454	0.0	0.011575
20	your_opx_sample_name_2	your_cpx_sample_name_2	1.083837	1300	3.410076	52.70	P_Put2008_eq39	0.15	8.10	8.48	0.14	29.40	2.14	0.14	0.0	0.00	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	0.250554	0.009392	0.003904	0.000000	0.144307	0.079334	0.769186	0.660522	0.068126	0.860725	1.0	51.70	0.28	8.38	6.69	0.15	21.40	11.70	0.64	0.0	0.05	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	0.043089	0.250554	0.017260	0.180814	0.087138	0.000700	0.411086	0.850790	0.043931	0.0	0.136078	0.016786	0.290252	0.518634	0.290252	0.246111	0.017260	0.180814	1.0	0.006163
...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...	...
410	your_opx_sample_name_12	your_cpx_sample_name_22	1.005609	1300	2.295297	53.30	P_Put2008_eq39	0.16	7.50	5.40	0.00	30.60	2.30	0.00	0.0	0.76	1.842181	1.576649	0.156083	0.085174	0.305508	0.000000	0.0	0.000000	0.004160	0.020767	0.0	0.157819	0.147689	1.846341	0.867289	0.085859	0.046853	3.990522	0.046853	0.371855	0.000000	0.004160	0.020767	0.126923	0.085174	0.758238	0.689937	0.077501	0.909918	11.0	52.98	0.14	5.04	3.48	0.11	19.61	17.76	0.23	0.0	1.36	1.890087	1.042932	0.103826	0.678869	0.211913	0.015909	0.0	0.003324	0.003757	0.038358	0.0	0.109913	0.102000	0.571273	0.056871	0.371855	3.988975	0.046853	0.371855	0.000000	0.103826	0.000000	0.019179	0.264600	0.909459	0.015909	0.0	0.086091	0.011911	0.561688	0.292535	0.561688	0.509357	-0.022050	0.125876	21.0	0.084391
425	your_opx_sample_name_8	your_cpx_sample_name_23	1.024936	1300	-1.523526	55.20	P_Put2008_eq39	0.00	3.30	5.60	0.00	32.70	2.00	0.00	0.0	1.30	1.910589	1.687270	0.162096	0.074171	0.134617	0.000000	0.0	0.000000	0.000000	0.035573	0.0	0.089411	0.045206	1.910589	0.877171	0.084270	0.038559	4.004316	0.038559	0.350958	0.000000	0.000000	0.035573	0.009633	0.074171	0.882781	0.805406	0.067670	0.912348	7.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.038559	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.065064
427	your_opx_sample_name_10	your_cpx_sample_name_23	0.979958	1300	-3.110243	54.20	P_Put2008_eq39	0.06	4.30	5.66	0.19	31.60	2.68	0.04	0.0	1.30	1.884710	1.638102	0.164595	0.099851	0.176226	0.002697	0.0	0.005596	0.001569	0.035739	0.0	0.115290	0.060936	1.886280	0.861004	0.086513	0.052483	4.009086	0.052483	0.350958	0.002697	0.001569	0.035739	0.022501	0.099851	0.842186	0.762922	0.090453	0.908692	9.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.052483	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.110042
428	your_opx_sample_name_11	your_cpx_sample_name_23	0.956304	1300	-3.856221	54.50	P_Put2008_eq39	0.09	3.90	5.80	0.19	31.60	2.70	0.08	0.0	1.30	1.893877	1.637008	0.168554	0.100529	0.159726	0.005390	0.0	0.005592	0.002352	0.035715	0.0	0.106123	0.053603	1.896229	0.858830	0.088429	0.052741	4.008745	0.052741	0.350958	0.005390	0.002352	0.035715	0.012498	0.100529	0.847887	0.766361	0.090863	0.906645	10.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.052741	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.133696
429	your_opx_sample_name_12	your_cpx_sample_name_23	0.994637	1300	2.329091	53.30	P_Put2008_eq39	0.16	7.50	5.40	0.00	30.60	2.30	0.00	0.0	0.76	1.842181	1.576649	0.156083	0.085174	0.305508	0.000000	0.0	0.000000	0.004160	0.020767	0.0	0.157819	0.147689	1.846341	0.867289	0.085859	0.046853	3.990522	0.046853	0.350958	0.000000	0.004160	0.020767	0.126923	0.085174	0.758238	0.689937	0.077501	0.909918	11.0	53.77	0.11	4.31	3.60	0.11	20.51	16.95	0.23	0.0	1.51	1.906973	1.084373	0.106773	0.644091	0.180152	0.015815	0.0	0.003304	0.002934	0.042338	0.0	0.093027	0.087125	0.590862	0.058180	0.350958	3.986755	0.046853	0.350958	0.000000	0.106773	0.000000	0.021169	0.299570	0.910358	0.015815	0.0	0.071310	0.010859	0.540754	0.325196	0.540754	0.490919	-0.026490	0.133263	22.0	0.095363

149 rows × 93 columns

Lets plot some results

-Here, we show a histogram for al matches, for the high T Kd filter, and the manual Kd filter.

[17]:

plt.hist(All_matches['P_kbar_calc'], facecolor='r', edgecolor='black',
         linewidth=1.2, label='No filter')
plt.hist(All_matches_HighTKdFilt['P_kbar_calc'], facecolor='b', edgecolor='black',
         linewidth=1.2, label='High T Kd Filter (1.09+-0.14)')
plt.hist(All_matches_KdFilt2['P_kbar_calc'], facecolor='cyan', edgecolor='black',
         linewidth=1.2, label='Kd Filter (1+-0.08)')

plt.xlabel('P (kbar)', fontsize=12)
plt.ylabel('# of matches', fontsize=12)
plt.legend()

[17]:

<matplotlib.legend.Legend at 0x165c6dae820>

../../_images/Examples_Two_Pyroxene_Thermobarometry_Two_Pyroxene_Matching_27_1.png

Lets save the “all matches” dataframe to excel…

[18]:

All_matches.to_excel('AllMatches.xlsx')

Similary, here’s how we save the high T matches to excel…

[19]:

All_matches_HighTKdFilt.to_excel('HighTMatches.xlsx')

[ ]: