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PyIRoGlass v0.6.1!
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Update epsilon inversions with new molar absorptivities, correct data exports, update PC vector creation
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sarahshi committed Mar 26, 2024
1 parent 49746e8 commit 95bbb72
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2 changes: 1 addition & 1 deletion .github/workflows/main.yml
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Expand Up @@ -14,7 +14,7 @@ jobs:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']
python-version: ['3.8', '3.9', '3.10', '3.11', '3.12', '3.13']

steps:
- uses: actions/checkout@v2
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1 change: 1 addition & 0 deletions .gitignore
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Expand Up @@ -47,3 +47,4 @@ __pycache__
/Volatiles_Speciation/AC4_OL49_pairwise.pdf
/Volatiles_Speciation/AC4_OL49_trace.pdf
/Volatiles_Speciation/AC4_OL49_histogram.pdf

1 change: 0 additions & 1 deletion .readthedocs.yaml
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Expand Up @@ -16,4 +16,3 @@ sphinx:

conda:
environment: docs/rtd_environment.yml

3 changes: 0 additions & 3 deletions Baseline_Comparison/BaselineComp.py
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Expand Up @@ -33,10 +33,8 @@

# %%


path_par = os.path.dirname(os.getcwd()) + '/'


Wavenumber = pig.Load_Wavenumber('BaselineAvgPC.npz')
PCmatrix = pig.Load_PC('BaselineAvgPC.npz')
Peak_1635_PCmatrix = pig.Load_PC('H2Om1635PC.npz')
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ax.tick_params(axis="y", direction='in', length=5, pad = 6.5)
plt.savefig('png/'+common_part+'_BLcomp.png', bbox_inches='tight', pad_inches = 0.025)


# badspec = np.array(['CI_IPGP_B6_1_50x50_256s_sp1', 'CI_IPGP_B6_2_50x50_256s_sp1', 'CI_IPGP_B6_1_50x50_256s_sp2', 'CI_IPGP_NBO_2_2_1_100x100_256s_sp1',
# 'CI_Ref_13_1_100x100_256s_sp1', 'CI_Ref_13_1_100x100_256s_sp2', 'CI_Ref_13_1_100x100_256s_sp3', 'CI_Ref_13_1_100x100_256s_sp4',
# 'CI_Ref_22_1_100x100_256s_sp1', 'CI_Ref_22_1_100x100_256s_sp2', 'CI_Ref_22_1_100x100_256s_sp3',
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58 changes: 29 additions & 29 deletions Baseline_Comparison/CI_statistics.csv
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@@ -1,29 +1,29 @@
Repeats,PH_1515_norm,PH_1515_BP_norm,PH_1515_STD_norm,PH_1430_norm,PH_1430_BP_norm,PH_1430_STD_norm,Py_Devol_1430,Py_Devol_1515,H2Ot_MEAN,H2Ot_STD,CO2_MEAN,CO2_STD,Counts,PH_1515_STD_net,PH_1430_STD_net,H2Ot_STD_net,CO2_STD_net
CI_LMT_BA17,2.1447771193799205,1.973111777990522,0.005427341991345186,2.0900286509011243,1.958273273752868,0.006152822166957329,0.9366813102421223,0.9197466633485215,0.2278746195,0.026540466999999998,18759.465135,1283.1949445,2,0.12494738624374274,0.1250956614140667,0.050130003251492306,1756.7827998217676
CI_LMT_BA3,1.040337676056338,1.034043729193342,0.01213582266325224,1.020717880921895,0.9947426408450705,0.01613189500640205,0.9745519887891411,0.9939500923518844,0.434833559,0.13325871,10133.00895,1696.394925,1,0.01213582266325224,0.01613189500640205,0.13325871,1696.394925
CI_LMT_BA4,1.3667900976230898,1.251280973401245,0.005520116015846066,1.312209279852858,1.225023968590832,0.006505932371250706,0.9335583792916002,0.9154887612789114,0.325368164,0.037063967,12376.38012,834.0371965,1,0.005520116015846066,0.006505932371250706,0.037063967,834.0371965
CI_Ref_10,0.6261919179774293,0.5737875924190585,0.002656607279697862,0.6352297770058154,0.5974185279451085,0.0029886640565459067,0.9420651838242814,0.9168952278626297,0.80218772225,0.069895973625,5355.87703875,229.3886471,8,0.07051138671515193,0.10923948410058905,0.07314779383087013,853.413494769721
CI_Ref_11,0.8913340539475181,0.8145871485403632,0.007379944978331657,0.8720621472709779,0.812941261079181,0.00970720996232378,0.9335362007467133,0.9142717626743153,1.2740525384999999,0.1828003405,7575.809048,686.783408925,4,0.22544173855812386,0.22376142735029475,0.48983865455616854,2262.1929496525954
CI_Ref_14,0.34885122544267855,0.3177413381753197,0.0067291512681659504,0.3304067045264818,0.30711277113903296,0.008800868472039858,0.9301099627289253,0.9107648186472725,1.070283742,0.146296463,2899.6904375,253.35510225000002,2,0.03764625104101206,0.0387875306588023,0.14988299148990458,461.52953881713626
CI_Ref_15,0.2753311851996287,0.24991420367305883,0.012867084978714463,0.2473628634944928,0.23168904161840087,0.015507111111484777,0.9367771214705637,0.9089546926820976,1.0052156636666667,0.300094037,2281.7125266666667,553.1399678333333,3,0.02272881096347384,0.03365656454664562,0.30689566553345937,611.5201814410299
CI_Ref_18,0.3030878075063491,0.28642129989306175,0.00626779942637226,0.2931368696352617,0.2801832741125587,0.007707094835924008,0.9563887728395075,0.9455694966511382,1.006766878,0.130517804,2647.6006742,216.81798656,5,0.0381260608248983,0.031202642136996625,0.13718811754312008,372.94811629345634
CI_Ref_20,0.3097025863859753,0.2955319479837605,0.005337586063956533,0.29897666327630174,0.2875021979300071,0.00693842400883637,0.9613034894313615,0.9533174031177006,0.7774879146,0.0897918834,2713.7720686000002,196.91782524,5,0.035413861978829925,0.03504759617240685,0.10329538903968052,374.65617226214533
CI_Ref_23,0.24475927960681396,0.2281604695608804,0.0032864763650851565,0.2397914527203543,0.22716074003779504,0.004137437531788862,0.9467582180180565,0.9331987110489974,1.01056193675,0.09194577775,2146.7832895,103.46457119,4,0.017724996888317336,0.013609899834786285,0.0950067938980748,177.97122110008863
CI_Ref_25,0.9925583004208969,0.9162386617873863,0.004074243860866299,0.9817847071195809,0.9250927178426558,0.005101594416834541,0.942937363965078,0.9239104981078949,0.8630049329,0.0793049709,7847.651093,365.27476513,10,0.12352957130201044,0.12575101842573186,0.18710271526604386,1917.957185645663
CI_Ref_27,0.5810197754720434,0.5460063749131799,0.006253055674702778,0.5701749143047602,0.543245846060902,0.00792903015091376,0.9526849950086994,0.9408984813102692,1.1423086758333334,0.14661116566666665,5088.039880333334,398.6092766,6,0.07245613780904356,0.07667401505441207,0.19012152969224683,806.4070153789635
CI_Ref_28,0.9501867382057991,0.8827446301996926,0.005540179229010318,0.9394875182357366,0.8843798304050235,0.007184454664602329,0.9412163075290971,0.9296315345141429,1.3372802428333335,0.15344676933333334,8309.577029,564.1291444333333,6,0.09588442742075956,0.09649990383239487,0.15759585298158063,1068.6062086155478
CI_Ref_4,1.0066028286476252,0.9235594722568619,0.002668689750365879,0.9922834695103755,0.9382562808203615,0.0032679151179227264,0.9454837288629083,0.9174994552377126,1.1116668045,0.092946396,8749.388098,345.3060163,2,0.040186120124183794,0.04616313059213796,0.10725679785004318,535.5121344321927
CI_Ref_6,0.5532932941853579,0.514477732400357,0.0031723565763357477,0.5442926742541792,0.5144627841531952,0.004019611721422853,0.945006604273737,0.9303090795791866,1.019647333625,0.0909370305,4809.67629775,216.3293406125,8,0.020329760666240874,0.023101340582260627,0.09578039396489343,291.0422479441834
CI_Ref_8,0.9296438302822958,0.857997224069376,0.0037626295176937793,0.9128083691935942,0.8619633729904361,0.004905649401830141,0.9445596762550673,0.9232506867394438,0.8819431948,0.08393813800000001,8835.792075399999,459.80366691999996,5,0.04381387167261629,0.0442968393812353,0.09659638769678824,636.5869718532972
CI_Ref_9,0.9087027198447554,0.8359683002246963,0.0018360328362782147,0.8831235162394035,0.8324519303441936,0.0022693624246757226,0.9426932602609237,0.9200702280036257,1.608247407,0.128508937,8777.7188535,332.5808063,2,0.0242196999812385,0.024668647129026874,0.13441528691973909,422.26407101148783
CI_Ref_bas_3,0.6821583900544362,0.64317928797102,0.0071423962410231395,0.6750609135954159,0.6257457785850827,0.008771968600882293,0.9274587581727103,0.9438317993265052,1.5103240654285714,0.20308786171428572,6723.448672285714,581.5383573571428,7,0.07203934987924834,0.06997396220196754,0.25088181882082095,945.0006641703047
CI_Ref_bas_5,0.2222843970096887,0.22154798361373818,0.005806021506040956,0.22516181878825817,0.2181504200776585,0.006905095316391205,0.9719995216470894,0.9983018787453272,1.625437226,0.18710828033333335,2332.547115,170.64599356666668,3,0.06069199959221322,0.05527596065165875,0.19089556049328418,633.4416122013522
CI_Ref_bas_6,0.9370104192466538,0.8614027413705005,0.007211505411622921,0.9296707933762525,0.8485236759152818,0.008694227095311322,0.9106261063711697,0.9173409248896532,1.6880005153333333,0.224201397,9290.063504666667,779.1628847666667,3,0.11905336798424013,0.11190426504192243,0.2269795869674333,1486.1567813371116
CI_Ref_bas_7,0.440422165352529,0.4123215552456532,0.008934320914391046,0.4326744200669699,0.4042140647962576,0.010612509794284443,0.9394809425350874,0.9388854649657057,1.3780262686666667,0.22516043944444444,4358.673857888889,470.78792054444443,9,0.1286355433253115,0.12379768451419074,0.22816289482165766,1397.6235737195218
CI_Ref_bas_8,0.48262875314127107,0.4564323298643774,0.007230880894029599,0.48560169065545034,0.45009538913782565,0.009131901378428243,0.9236604438288519,0.944041288912234,1.292957392625,0.175118989375,4672.465634624999,400.54960868750004,8,0.11108017816630557,0.11488112386504136,0.21508611793574423,1223.5909185927612
CI_Ref_bas_9,0.6508634300914238,0.609211784985277,0.006831172698105583,0.65462359438871,0.5994748465060173,0.008568068544929296,0.9143961791152286,0.9330894306143461,1.3000517602857145,0.1838064535,7358.0968648571425,642.2632009785714,14,0.2926291312016591,0.28507123951556906,0.5568459001423052,4237.012814919447
ND70-2,0.15475244940178484,0.14251150049469252,0.00255723159054463,0.13313019560417166,0.14002745165155642,0.0030509925134973824,1.0643009444306244,0.9326847301393436,2.1174970601666665,0.20021128516666667,1282.5872061666666,53.564015170000005,6,0.011269862515996388,0.012480811209566386,0.3418910108357029,119.79161744921873
ND70-3,0.2588030101793615,0.24776142611272747,0.004676926075531202,0.22896313843836677,0.23691468506285226,0.0054679112053755774,1.0340194789452026,0.9550907992838729,3.4325054315714287,0.4289943754285715,2226.086454571429,152.9467422485714,7,0.04029649696832461,0.035650822167438714,0.96680971187074,403.10547231310494
ND70-4,0.473708199703491,0.44629484468152464,0.0031952870537652737,0.440368519594602,0.4272298017489283,0.003824381555836656,0.9717038337937476,0.9418350679638472,3.8610883975,0.359956238625,4094.621204625,194.33461589750002,8,0.06577675158487853,0.060199955381116,0.8863958856541881,621.2831777393351
ND70-5,1.3564508473645682,1.2766725061005368,0.013131592240117132,1.2918261963152757,1.2432487798926306,0.01685396839921913,0.9615527048622236,0.9412414098310316,5.159595310833333,0.4878525658333333,11868.820523333334,588.0489572166666,6,0.09443411814722627,0.12543487997291938,0.594686167957943,1204.6893042181605
ND70-6,1.832609096228062,1.652077102121501,0.007746446157757349,1.9403680999631245,1.7297448527003023,0.011717366861980376,0.8913837761681473,0.9013070519804648,5.8540466936666675,0.863184709,15754.217583333333,1463.7643416666667,3,0.11132805940456003,0.11192781929857189,0.9620482450184303,1834.0945772858292
Repeats,Composition,Counts,PH_1515_norm,PH_1515_BP_norm,PH_1515_STD_norm,PH_1430_norm,PH_1430_BP_norm,PH_1430_STD_norm,H2Ot_MEAN,H2Ot_STD_net,CO2_MEAN,CO2_STD_net
CI-LMT-BA3,Synthetic Basaltic Andesite,1,1.040,1.034,0.012,1.021,0.995,0.016,0.43,0.11,10278,1717
CI-LMT-BA4,Synthetic Basaltic Andesite,1,1.367,1.251,0.006,1.312,1.225,0.007,0.33,0.04,12553,845
CI-LMT-BA17,Synthetic Basaltic Andesite,2,2.145,1.973,0.005,2.090,1.958,0.006,0.23,0.05,19023,1778
CI-Ref-4,Synthetic MORB,2,1.007,0.924,0.003,0.992,0.938,0.003,1.11,0.11,8876,542
CI-Ref-6,Synthetic MORB,8,0.553,0.514,0.003,0.544,0.514,0.004,1.02,0.10,4880,294
CI-Ref-8,Synthetic MORB,5,0.930,0.858,0.004,0.913,0.862,0.005,0.88,0.10,8924,640
CI-Ref-9,Synthetic MORB,2,0.909,0.836,0.002,0.883,0.832,0.002,1.61,0.13,8862,422
CI-Ref-10,Synthetic MORB,8,0.626,0.574,0.003,0.635,0.597,0.003,0.80,0.07,5439,866
CI-Ref-11,Synthetic MORB,4,0.891,0.815,0.007,0.872,0.813,0.010,1.27,0.49,7688,2295
CI-Ref-14,Synthetic MORB,2,0.349,0.318,0.007,0.330,0.307,0.009,1.07,0.15,2942,468
CI-Ref-15,Synthetic MORB,3,0.275,0.250,0.013,0.247,0.232,0.016,1.00,1.11,2315,542
CI-Ref-18,Synthetic MORB,5,0.303,0.286,0.006,0.293,0.280,0.008,1.01,0.14,2686,378
CI-Ref-20,Synthetic MORB,5,0.310,0.296,0.005,0.299,0.288,0.007,0.78,0.10,2755,380
CI-Ref-23,Synthetic MORB,4,0.245,0.228,0.003,0.240,0.227,0.004,1.01,0.09,2178,180
CI-Ref-25,Synthetic MORB,10,0.993,0.916,0.004,0.982,0.925,0.005,0.86,0.19,7968,1947
CI-Ref-27,Synthetic MORB,6,0.581,0.546,0.006,0.570,0.543,0.008,1.14,0.19,5163,818
CI-Ref-28,Synthetic MORB,6,0.950,0.883,0.006,0.939,0.884,0.007,1.34,0.16,8433,1084
CI-Ref-bas-3,Synthetic Basanite (El Hierro),7,0.682,0.643,0.007,0.675,0.626,0.009,1.51,0.25,6784,952
CI-Ref-bas-5,Synthetic Basanite (El Hierro),3,0.222,0.222,0.006,0.225,0.218,0.007,1.62,0.19,2353,639
CI-Ref-bas-6,Synthetic Basanite (El Hierro),3,0.937,0.861,0.007,0.930,0.849,0.009,1.69,0.23,9368,1497
CI-Ref-bas-7,Synthetic Basanite (El Hierro),9,0.440,0.412,0.009,0.433,0.404,0.011,1.38,0.23,4397,1410
CI-Ref-bas-8,Synthetic Basanite (El Hierro),8,0.483,0.456,0.007,0.486,0.450,0.009,1.29,0.21,4719,1235
CI-Ref-bas-9,Synthetic Basanite (El Hierro),14,0.651,0.609,0.007,0.655,0.599,0.009,1.30,0.56,7429,4277
ND70-2-01,Synthetic Basalt,6,0.155,0.143,0.003,0.133,0.140,0.003,2.12,0.34,1304,122
ND70-3-01,Synthetic Basalt,7,0.259,0.248,0.005,0.229,0.237,0.005,3.43,0.97,2263,409
ND70-4-02,Synthetic Basalt,8,0.474,0.446,0.003,0.440,0.427,0.004,3.86,0.89,4161,631
ND70-5-02,Synthetic Basalt,6,1.356,1.277,0.013,1.292,1.243,0.017,5.16,0.59,12057,1221
ND70-6-02,Synthetic Basalt,3,1.833,1.652,0.008,1.940,1.730,0.012,5.85,0.96,16018,1864
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