# 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 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


[4]:

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


[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

SiO2_Opx TiO2_Opx Al2O3_Opx FeOt_Opx MnO_Opx MgO_Opx CaO_Opx Na2O_Opx K2O_Opx Cr2O3_Opx Sample_ID_Opx
0 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0 0.19 your_opx_sample_name_1
1 52.70 0.15 8.10 8.48 0.14 29.40 2.14 0.14 0 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 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 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 0.16 your_opx_sample_name_5
SiO2_Cpx TiO2_Cpx Al2O3_Cpx FeOt_Cpx MnO_Cpx MgO_Cpx CaO_Cpx Na2O_Cpx K2O_Cpx Cr2O3_Cpx Sample_ID_Cpx
0 52.30 0.70 3.00 5.10 0.11 16.60 21.50 0.33 0 0.58 your_cpx_sample_name_1
1 51.70 0.28 8.38 6.69 0.15 21.40 11.70 0.64 0 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 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 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 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']

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 Delta_T_K_Iter Delta_P_kbar_Iter 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
0 your_opx_sample_name_1 your_cpx_sample_name_1 0.834684 1258.526669 3.380885 0.0 0.0 T_Put2008_eq36 P_Put2008_eq39 55.00 0.34 1.50 11.30 0.24 30.70 0.90 0.01 0.0 0.19 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.442596 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 0.0 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 0.017164 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
1 your_opx_sample_name_2 your_cpx_sample_name_1 1.065157 1403.925666 13.493433 0.0 0.0 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 52.3 0.7 3.0 5.1 0.11 16.6 21.5 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
2 your_opx_sample_name_3 your_cpx_sample_name_1 1.019441 1397.201768 11.274875 0.0 0.0 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 52.3 0.7 3.0 5.1 0.11 16.6 21.5 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
3 your_opx_sample_name_4 your_cpx_sample_name_1 0.902429 1294.454439 4.601071 0.0 0.0 T_Put2008_eq36 P_Put2008_eq39 55.15 0.17 1.19 10.21 0.22 29.99 1.66 0.03 0.0 0.15 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.442596 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 0.0 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 0.032324 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
4 your_opx_sample_name_5 your_cpx_sample_name_1 0.932864 1275.837500 5.280842 0.0 0.0 T_Put2008_eq36 P_Put2008_eq39 56.32 0.13 1.41 10.17 0.26 30.88 1.05 0.02 0.0 0.16 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.442596 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 0.0 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 0.020211 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
[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_K2O_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_K_Opx_cat_6ox Mean_Mn_Opx_cat_6ox Mean_Ti_Opx_cat_6ox Mean_Cr_Opx_cat_6ox Mean_oxy_renorm_factor_opx 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_K2O_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_K_Cpx_cat_6ox Mean_Mn_Cpx_cat_6ox Mean_Ti_Cpx_cat_6ox Mean_Cr_Cpx_cat_6ox Mean_oxy_renorm_factor 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_Jd_from 0=Na, 1=Al 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_K2O_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_K_Opx_cat_6ox Std_Mn_Opx_cat_6ox Std_Ti_Opx_cat_6ox Std_Cr_Opx_cat_6ox Std_oxy_renorm_factor_opx 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_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_SiO2_Cpx Std_TiO2_Cpx Std_Al2O3_Cpx Std_FeOt_Cpx Std_MnO_Cpx Std_MgO_Cpx Std_CaO_Cpx Std_Na2O_Cpx Std_K2O_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_K_Cpx_cat_6ox Std_Mn_Cpx_cat_6ox Std_Ti_Cpx_cat_6ox Std_Cr_Cpx_cat_6ox Std_oxy_renorm_factor 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_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_Jd_from 0=Na, 1=Al Std_CaTs Std_CaTi Std_DiHd_1996 Std_EnFs Std_DiHd_2003 Std_Di_Cpx Std_FeIII_Wang21 Std_FeII_Wang21
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 0.0 0.488421 1.88288 1.56576 0.215204 0.076204 0.227681 0.007162 0.0 0.003572 0.004144 0.013406 0.0 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 0.0 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 0.041309 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 0.0 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 0.0 0.499158 0.047542 0.113799 0.056815 0.019363 0.10045 0.005979 0.0 0.002653 0.003701 0.013684 0.0 0.047542 0.071711 0.047923 0.030156 0.032077 0.011049 0.032604 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.005979 0.003701 0.013684 0.07455 0.019363 0.092242 0.085885 0.018033 0.033068 5.627314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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 0.0 0.488421 1.88288 1.56576 0.215204 0.076204 0.227681 0.007162 0.0 0.003572 0.004144 0.013406 0.0 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 0.0 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 0.041309 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 0.0 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 0.0 0.499158 0.047542 0.113799 0.056815 0.019363 0.10045 0.005979 0.0 0.002653 0.003701 0.013684 0.0 0.047542 0.071711 0.047923 0.030156 0.032077 0.011049 0.032604 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.005979 0.003701 0.013684 0.07455 0.019363 0.092242 0.085885 0.018033 0.033068 5.627314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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 0.0 0.488421 1.88288 1.56576 0.215204 0.076204 0.227681 0.007162 0.0 0.003572 0.004144 0.013406 0.0 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 0.0 0.09 1.835204 1.078405 0.207416 0.481084 0.340188 0.038691 0.0 0.005131 0.012062 0.002536 0.0 0.164796 0.175393 0.610336 0.117390 0.272275 4.000717 0.041309 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 0.0 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 0.0 0.499158 0.047542 0.113799 0.056815 0.019363 0.10045 0.005979 0.0 0.002653 0.003701 0.013684 0.0 0.047542 0.071711 0.047923 0.030156 0.032077 0.011049 0.032604 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.005979 0.003701 0.013684 0.07455 0.019363 0.092242 0.085885 0.018033 0.033068 5.627314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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 0.0 0.488421 1.88288 1.56576 0.215204 0.076204 0.227681 0.007162 0.0 0.003572 0.004144 0.013406 0.0 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 0.0 0.01 1.914576 0.882079 0.193792 0.836461 0.139648 0.019629 0.0 0.003811 0.017487 0.000296 0.0 0.085424 0.054224 0.461258 0.101338 0.437404 4.007780 0.041309 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 0.0 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 0.0 0.499158 0.047542 0.113799 0.056815 0.019363 0.10045 0.005979 0.0 0.002653 0.003701 0.013684 0.0 0.047542 0.071711 0.047923 0.030156 0.032077 0.011049 0.032604 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.005979 0.003701 0.013684 0.07455 0.019363 0.092242 0.085885 0.018033 0.033068 5.627314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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 0.0 0.488421 1.88288 1.56576 0.215204 0.076204 0.227681 0.007162 0.0 0.003572 0.004144 0.013406 0.0 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 0.0 0.12 1.947746 0.920861 0.180851 0.811362 0.096868 0.019831 0.0 0.004641 0.013189 0.003466 0.0 0.052254 0.044614 0.481352 0.094534 0.424114 3.998814 0.041309 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 0.0 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 0.0 0.499158 0.047542 0.113799 0.056815 0.019363 0.10045 0.005979 0.0 0.002653 0.003701 0.013684 0.0 0.047542 0.071711 0.047923 0.030156 0.032077 0.011049 0.032604 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.005979 0.003701 0.013684 0.07455 0.019363 0.092242 0.085885 0.018033 0.033068 5.627314 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.011049 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
[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_K2O_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_K_Opx_cat_6ox Mean_Mn_Opx_cat_6ox Mean_Ti_Opx_cat_6ox Mean_Cr_Opx_cat_6ox Mean_oxy_renorm_factor_opx 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_K2O_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_K_Cpx_cat_6ox Mean_Mn_Cpx_cat_6ox Mean_Ti_Cpx_cat_6ox Mean_Cr_Cpx_cat_6ox Mean_oxy_renorm_factor 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_Jd_from 0=Na, 1=Al 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_SiO2_Opx Std_TiO2_Opx Std_Al2O3_Opx Std_FeOt_Opx Std_MnO_Opx Std_MgO_Opx Std_CaO_Opx Std_Na2O_Opx Std_K2O_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_K_Opx_cat_6ox Std_Mn_Opx_cat_6ox Std_Ti_Opx_cat_6ox Std_Cr_Opx_cat_6ox Std_oxy_renorm_factor_opx 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_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_SiO2_Cpx Std_TiO2_Cpx Std_Al2O3_Cpx Std_FeOt_Cpx Std_MnO_Cpx Std_MgO_Cpx Std_CaO_Cpx Std_Na2O_Cpx Std_K2O_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_K_Cpx_cat_6ox Std_Mn_Cpx_cat_6ox Std_Ti_Cpx_cat_6ox Std_Cr_Cpx_cat_6ox Std_oxy_renorm_factor 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_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_Jd_from 0=Na, 1=Al 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 0.0 0.19 1.943665 1.617356 0.333959 0.034078 0.062475 0.000685 0.0 0.007184 0.009038 0.005308 0.0 0.056335 0.006140 1.952703 0.814628 0.168208 0.017164 4.013748 0.017164 0.317116 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 0.0 0.672609 1.859743 1.064476 0.155659 0.571174 0.28024 0.039128 0.0 0.002951 0.008903 0.019017 0.0 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 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.782205 0.249007 2.238032 1.320511 0.074968 2.100543 3.640008 0.381538 0.0 0.604304 0.034603 0.101762 0.039602 0.146748 0.092659 0.026345 0.0 0.002266 0.006776 0.017071 0.0 0.034603 0.060359 0.062294 0.024263 0.072279 0.006943 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.007758 0.041035 0.055268 0.008536 0.104506 0.030411 0.026345 0.0 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 0.0 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 0.317116 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 0.0 0.672609 1.859743 1.064476 0.155659 0.571174 0.28024 0.039128 0.0 0.002951 0.008903 0.019017 0.0 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 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.782205 0.249007 2.238032 1.320511 0.074968 2.100543 3.640008 0.381538 0.0 0.604304 0.034603 0.101762 0.039602 0.146748 0.092659 0.026345 0.0 0.002266 0.006776 0.017071 0.0 0.034603 0.060359 0.062294 0.024263 0.072279 0.006943 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.007758 0.041035 0.055268 0.008536 0.104506 0.030411 0.026345 0.0 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 0.0 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 0.317116 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 0.0 0.672609 1.859743 1.064476 0.155659 0.571174 0.28024 0.039128 0.0 0.002951 0.008903 0.019017 0.0 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 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.782205 0.249007 2.238032 1.320511 0.074968 2.100543 3.640008 0.381538 0.0 0.604304 0.034603 0.101762 0.039602 0.146748 0.092659 0.026345 0.0 0.002266 0.006776 0.017071 0.0 0.034603 0.060359 0.062294 0.024263 0.072279 0.006943 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.007758 0.041035 0.055268 0.008536 0.104506 0.030411 0.026345 0.0 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 0.0 0.15 1.968730 1.595973 0.304805 0.063492 0.050066 0.002076 0.0 0.006652 0.004565 0.004233 0.0 0.031270 0.018796 1.973295 0.812502 0.155175 0.032324 4.000594 0.032324 0.317116 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 0.0 0.672609 1.859743 1.064476 0.155659 0.571174 0.28024 0.039128 0.0 0.002951 0.008903 0.019017 0.0 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 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.782205 0.249007 2.238032 1.320511 0.074968 2.100543 3.640008 0.381538 0.0 0.604304 0.034603 0.101762 0.039602 0.146748 0.092659 0.026345 0.0 0.002266 0.006776 0.017071 0.0 0.034603 0.060359 0.062294 0.024263 0.072279 0.006943 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.007758 0.041035 0.055268 0.008536 0.104506 0.030411 0.026345 0.0 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 0.0 0.16 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.317116 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 0.0 0.672609 1.859743 1.064476 0.155659 0.571174 0.28024 0.039128 0.0 0.002951 0.008903 0.019017 0.0 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 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.782205 0.249007 2.238032 1.320511 0.074968 2.100543 3.640008 0.381538 0.0 0.604304 0.034603 0.101762 0.039602 0.146748 0.092659 0.026345 0.0 0.002266 0.006776 0.017071 0.0 0.034603 0.060359 0.062294 0.024263 0.072279 0.006943 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.0 0.072279 0.007758 0.041035 0.055268 0.008536 0.104506 0.030411 0.026345 0.0 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)


### 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)


## 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']

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 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 52.3 0.70 3.00 5.10 0.11 16.6 21.5 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 0.065157
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 0.0 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 52.3 0.70 3.00 5.10 0.11 16.6 21.5 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 0.019441
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 0.0 0.16 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.442596 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 0.0 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 0.020211 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 0.067136
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 0.0 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 0.250554 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 0.0 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 0.047527 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 0.037319
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 0.0 0.16 1.971271 1.611274 0.297687 0.039377 0.058165 0.001357 0.0 0.007708 0.003423 0.004427 0.0 0.028729 0.029435 1.974693 0.826999 0.152790 0.020211 3.994689 0.020211 0.250554 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 0.0 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 0.020211 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 0.050776

## 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>


## 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')

[ ]: