pychnosz 1.1.12__cp310-cp310-macosx_15_0_x86_64.whl

pychnosz/data/extdata/misc/OBIGT_check.csv

@@ -0,0 +1,423 @@
+"table","name","state","E_units","DCp","DV","DG"
+"OBIGT","CO3-2","aq","cal",,-1.04,
+"OBIGT","HPO4-2","aq","cal",,-1.02,
+"OBIGT","S2O3-2","aq","cal",,,939
+"OBIGT","BO2-","aq","cal",,-19.31,
+"OBIGT","Cu+2","aq","cal",3.62,,
+"OBIGT","NH3","aq","cal",2.75,,
+"OBIGT","SO2","aq","cal",11.1,,
+"OBIGT","CsCl","aq","cal",,,-1705
+"OBIGT","CsBr","aq","cal",,,533
+"OBIGT","CsI","aq","cal",,,-2127
+"OBIGT","Ag(CO3)-","aq","cal",,,-1034
+"OBIGT","Ag(CO3)2-3","aq","cal",,-1.56,
+"OBIGT","NaHSiO3","aq","cal",,,2595
+"OBIGT","CaCl+","aq","cal",,,-593
+"OBIGT","AgCl4-3","aq","cal",,-1.31,
+"OBIGT","AgNO3","aq","cal",,,1596
+"OBIGT","MnSO4","aq","cal",,,1203
+"OBIGT","BeCl+","aq","cal",,,-33235
+"OBIGT","BeCl2","aq","cal",,,-33228
+"OBIGT","AuCl4-3","aq","cal",,,117800
+"OBIGT","BeF+","aq","cal",,,-33233
+"OBIGT","BeF2","aq","cal",,,-33220
+"OBIGT","BeF3-1","aq","cal",,,-33211
+"OBIGT","BeF4-2","aq","cal",,,-33199
+"OBIGT","CuCl4-2","aq","cal",,-1.07,
+"OBIGT","ReO4-","aq","cal",-1.26,,
+"OBIGT","WO4-2","aq","cal",,,19984
+"OBIGT","PO4-3","aq","cal",,-1.72,
+"OBIGT","UO2+2","aq","cal",-1.1,,
+"OBIGT","P2O7-4","aq","cal",,-2.11,
+"OBIGT","HP2O7-3","aq","cal",,-1.42,
+"OBIGT","SO3-2","aq","cal",,-1.02,
+"OBIGT","S2O6-2","aq","cal",,,-607
+"OBIGT","S5O6-2","aq","cal",,,664
+"OBIGT","VO4-3","aq","cal",,-1.63,
+"OBIGT","H3VO4","aq","cal",,,-1195
+"OBIGT","Zr+4","aq","cal",,-1.18,
+"OBIGT","HMoO4-","aq","cal",,,-1197
+"OBIGT","Hf+4","aq","cal",,-1.18,
+"OBIGT","U+4","aq","cal",,-1.13,
+"OBIGT","Ce+4","aq","cal",,-1.13,
+"OBIGT","Pr+4","aq","cal",,-1.12,
+"OBIGT","Nd+4","aq","cal",,-1.12,
+"OBIGT","Pm+4","aq","cal",,-1.13,
+"OBIGT","Sm+4","aq","cal",,-1.14,
+"OBIGT","Eu+4","aq","cal",,-1.14,
+"OBIGT","Gd+4","aq","cal",,-1.16,
+"OBIGT","Tb+4","aq","cal",,-1.15,
+"OBIGT","Dy+4","aq","cal",,-1.15,
+"OBIGT","Ho+4","aq","cal",,-1.15,
+"OBIGT","Er+4","aq","cal",,-1.15,
+"OBIGT","Tm+4","aq","cal",,-1.16,
+"OBIGT","Yb+4","aq","cal",,-1.16,
+"OBIGT","Lu+4","aq","cal",,-1.17,
+"OBIGT","KOH","aq","cal",,,-6847
+"OBIGT","BeO2-2","aq","cal",,-1.17,
+"OBIGT","MgOH+","aq","cal",,,11632
+"OBIGT","TlOH","aq","cal",,,5739
+"OBIGT","MnO","aq","cal",,,-7264
+"OBIGT","MnO2-2","aq","cal",,-1.05,
+"OBIGT","HFeO2","aq","cal",,,-4600
+"OBIGT","FeO2-","aq","cal",,,-4641
+"OBIGT","CoO2-2","aq","cal",,-1.14,
+"OBIGT","NiO","aq","cal",,,-14906
+"OBIGT","NiO2-2","aq","cal",,-1.16,
+"OBIGT","CuO2-2","aq","cal",,-1.09,
+"OBIGT","HZrO2+","aq","cal",,,6616
+"OBIGT","HZrO3-","aq","cal",,,-8031
+"OBIGT","CdO2-2","aq","cal",,-1.08,
+"OBIGT","HHfO2+","aq","cal",,,6529
+"OBIGT","HHfO3-","aq","cal",,,-8029
+"OBIGT","RuCl4-2","aq","cal",,-1.09,
+"OBIGT","Ru(SO4)3-4","aq","cal",,-1.8,
+"OBIGT","RuCl5-2","aq","cal",,-1.49,
+"OBIGT","RuCl6-3","aq","cal",,-2.39,
+"OBIGT","Ru(SO4)3-3","aq","cal",,-1.3,
+"OBIGT","RuOH+2","aq","cal",,,648
+"OBIGT","RuO+","aq","cal",,,-2696
+"OBIGT","RhCl4-2","aq","cal",,-1.14,
+"OBIGT","Rh(SO4)3-4","aq","cal",,-1.82,
+"OBIGT","RhCl2+","aq","cal",,4.67,
+"OBIGT","Rh(SO4)3-3","aq","cal",,-1.33,
+"OBIGT","RhOH+2","aq","cal",,,789
+"OBIGT","RhO+","aq","cal",,,-2676
+"OBIGT","Ar","aq","cal",-1.24,-8.59,
+"OBIGT","Xe","aq","cal",2.8,,
+"OBIGT","CO2","aq","cal",-4.94,,
+"OBIGT","CF4","aq","cal",5.9,,-2329
+"OBIGT","AsH3","aq","cal",-2.67,,
+"OBIGT","AmOH+2","aq","cal",,,11642
+"OBIGT","AmO+","aq","cal",,,11636
+"OBIGT","HAmO2","aq","cal",,,23273
+"OBIGT","AmCO3+","aq","cal",,,-9689
+"OBIGT","Am(CO3)2-","aq","cal",,,69826
+"OBIGT","AmSO4+","aq","cal",,,46571
+"OBIGT","Am(SO4)2-","aq","cal",,,93130
+"OBIGT","RuCrO4+2","aq","cal",,,-4659
+"OBIGT","AgCl","aq","cal",,-1.88,
+"OBIGT","AgCl2-","aq","cal",1.65,,
+"OBIGT","AgCl3-2","aq","cal",,,-546
+"OBIGT","CuHS","aq","cal",7.35,-16.2,
+"OBIGT","ZnO2-2","aq","cal",,-1.17,
+"OBIGT","S3-","aq","cal",,,661
+"OBIGT","CoCl2(tet)","aq","cal",2.81,,
+"OBIGT","CoCl4-2","aq","cal",1.33,-1.19,
+"OBIGT","Fe(CO3)2-2","aq","cal",,,-4792
+"OBIGT","Zn(CO3)2-2","aq","cal",,,-4724
+"OBIGT","Cu(CO3)2-2","aq","cal",,,-4929
+"OBIGT","Pb(CO3)2-2","aq","cal",,,-6676
+"OBIGT","KCO3-","aq","cal",,,4996
+"OBIGT","RbCO3-","aq","cal",,,-533
+"OBIGT","MnHCO3+","aq","cal",,,945
+"OBIGT","KHCO3","aq","cal",,,3759
+"OBIGT","NbO3-","aq","cal",-1.51,,
+"OBIGT","TaO3-","aq","cal",-1.61,,
+"OBIGT","HTaO3F-","aq","cal",-1.15,-1.91,
+"OBIGT","UO2(CO3)3-4","aq","cal",,-1.98,
+"OBIGT","TaF7-2","aq","cal",-9.97,-4.13,
+"OBIGT","Sn+4","aq","cal",,-1.18,
+"OBIGT","Th+4","aq","cal",,-1.13,
+"OBIGT","GaOH+2","aq","J",9.07,,
+"OBIGT","Ga(OH)4-","aq","J",-3.75,,
+"OBIGT","GaSO4+","aq","cal",2.05,,
+"OBIGT","Ga(SO4)2-","aq","cal",-19.44,-36.42,
+"OBIGT","InSO4+","aq","cal",3.64,,
+"OBIGT","In(SO4)2-","aq","cal",-19.05,-33.6,
+"OBIGT","CH4","aq","cal",-2.61,,
+"OBIGT","hexane","aq","cal",1.43,3.21,
+"OBIGT","ethylene","aq","cal",6.12,-3.82,
+"OBIGT","propanol","aq","cal",-1.89,,
+"OBIGT","La(Ac)2+","aq","cal",,,-779
+"OBIGT","Sm(Ac)+2","aq","cal",,,-660
+"OBIGT","Sm(Ac)2+","aq","cal",,,-621
+"OBIGT","Ca(Ac)2","aq","cal",,,-1006
+"OBIGT","La(Ac)3","aq","cal",,,-564
+"OBIGT","Ce(Ac)+2","aq","cal",,,797
+"OBIGT","Ce(Ac)2+","aq","cal",,,567
+"OBIGT","urea","aq","cal",-23.26,23.32,
+"OBIGT","propanoic acid","aq","cal",1.42,,
+"OBIGT","formate","aq","cal",1.96,,
+"OBIGT","propanoate","aq","cal",1.68,,
+"OBIGT","n-decanoate","aq","cal",-1.93,,
+"OBIGT","oxalate-2","aq","cal",-3.19,,
+"OBIGT","Fe(For)+","aq","cal",,,587
+"OBIGT","Fe(For)2","aq","cal",,,639
+"OBIGT","Mg(But)2","aq","cal",,,-3347811
+"OBIGT","Yb(But)+2","aq","cal",,,665
+"OBIGT","Fe(Pent)2","aq","cal",,,532
+"OBIGT","BaHCO3+","aq","cal",,,-5800
+"OBIGT","Li(Mal)-","aq","cal",,-3.22,
+"OBIGT","Pb(Mal)","aq","cal",,1.16,
+"OBIGT","Pb(Succ)","aq","cal",,1.49,
+"OBIGT","Na(Oxal)-","aq","cal",,-3.14,
+"OBIGT","K(Oxal)-","aq","cal",,-2.75,
+"OBIGT","Fe(Oxal)+","aq","cal",,-2.19,
+"OBIGT","Na(Mal)-","aq","cal",,-3.11,
+"OBIGT","K(Mal)-","aq","cal",,-2.63,
+"OBIGT","La(Mal)+","aq","cal",,-1.92,
+"OBIGT","Gd(Mal)+","aq","cal",,-1.73,
+"OBIGT","Lu(Mal)+","aq","cal",,-2.25,
+"OBIGT","Yb(Mal)+","aq","cal",,-2.05,
+"OBIGT","Th(Mal)+2","aq","cal",-1.29,-4.79,
+"OBIGT","Ce(Mal)+","aq","cal",,-1.75,
+"OBIGT","Nd(Mal)+","aq","cal",4.52,,
+"OBIGT","Sm(Mal)+","aq","cal",,-1.77,
+"OBIGT","Pr(Mal)+","aq","cal",,-1.75,
+"OBIGT","Eu(Mal)+","aq","cal",,-1.87,
+"OBIGT","Tb(Mal)+","aq","cal",,-1.92,
+"OBIGT","Dy(Mal)+","aq","cal",,-1.89,
+"OBIGT","Tm(Mal)+","aq","cal",,-2.08,
+"OBIGT","Ho(Mal)+","aq","cal",,-2.08,
+"OBIGT","Er(Mal)+","aq","cal",,-2.11,
+"OBIGT","Sc(Mal)+","aq","cal",,-1.97,
+"OBIGT","Fe(Mal)+","aq","cal",,-1.97,
+"OBIGT","Na(Succ)-","aq","cal",,-2.82,
+"OBIGT","K(Succ)-","aq","cal",,-2.39,
+"OBIGT","Th(Succ)+2","aq","cal",-1.21,-4.47,
+"OBIGT","NH4(Oxal)-","aq","cal",,-2.62,
+"OBIGT","Yb(Oxal)+","aq","cal",,-2.02,
+"OBIGT","Ce(Oxal)+","aq","cal",,-1.8,
+"OBIGT","Nd(Oxal)+","aq","cal",,-1.8,
+"OBIGT","Eu(Oxal)+","aq","cal",,-1.89,
+"OBIGT","Gd(Oxal)+","aq","cal",,-1.8,
+"OBIGT","Ru(Oxal)+","aq","cal",,-2.41,
+"OBIGT","Pa(Oxal)+2","aq","cal",-1.25,-4.63,
+"OBIGT","Th(Oxal)+2","aq","cal",-1.27,-4.69,
+"OBIGT","U(Oxal)+2","aq","cal",-1.25,-4.63,
+"OBIGT","Y(Oxal)+","aq","cal",,-2.11,
+"OBIGT","La(Oxal)+","aq","cal",,-1.87,
+"OBIGT","Tb(Oxal)+","aq","cal",,-1.92,
+"OBIGT","Er(Oxal)+","aq","cal",,-2.05,
+"OBIGT","Lu(Oxal)+","aq","cal",,-2.19,
+"OBIGT","Cr(Oxal)+","aq","cal",,-2.58,
+"OBIGT","Ga(Oxal)+","aq","cal",,-2.66,
+"OBIGT","Sc(Oxal)+","aq","cal",,-2.13,
+"OBIGT","In(Oxal)+","aq","cal",,-2.19,
+"OBIGT","Sm(Oxal)+","aq","cal",,-1.84,
+"OBIGT","Cs(Mal)-","aq","cal",,-2.39,
+"OBIGT","NH4(Mal)-","aq","cal",,-2.54,
+"OBIGT","In(Mal)+","aq","cal",,-2.11,
+"OBIGT","Y(Mal)+","aq","cal",,-2.02,29999
+"OBIGT","La(Succ)+","aq","cal",,-1.52,
+"OBIGT","NH4(Succ)-","aq","cal",,-2.26,
+"OBIGT","Fe(Succ)+","aq","cal",,-1.92,
+"OBIGT","Sc(Succ)+","aq","cal",,-1.77,
+"OBIGT","Sm(Succ)+","aq","cal",,-1.48,
+"OBIGT","Er(Succ)+","aq","cal",,-1.68,
+"OBIGT","U(Succ)+2","aq","cal",-1.15,-4.27,
+"OBIGT","La(Glut)+","aq","cal",,-1.23,
+"OBIGT","Y(Glut)+","aq","cal",,-1.46,
+"OBIGT","Sc(Glut)+","aq","cal",,-1.5,
+"OBIGT","Th(Glut)+2","aq","cal",-1.09,-4.05,
+"OBIGT","Fe(Glut)+","aq","cal",,-1.05,
+"OBIGT","Sm(Glut)+","aq","cal",,-1.2,
+"OBIGT","Er(Glut)+","aq","cal",,-1.4,-4673
+"OBIGT","Ba(Adip)","aq","cal",,1.19,
+"OBIGT","Pb(Adip)","aq","cal",,1.25,
+"OBIGT","Sc(Adip)+","aq","cal",,-1.22,
+"OBIGT","Th(Adip)+2","aq","cal",-1.02,-3.76,
+"OBIGT","U(Adip)+2","aq","cal",-1,-3.71,
+"OBIGT","Li(Oxal)-","aq","cal",,-3.3,
+"OBIGT","Li(Succ)-","aq","cal",,-2.94,
+"OBIGT","Na(Glut)-","aq","cal",,-2.34,
+"OBIGT","K(Glut)-","aq","cal",,-2.05,
+"OBIGT","Li(Glut)-","aq","cal",,-2.66,
+"OBIGT","Na(Adip)-","aq","cal",,-2.05,
+"OBIGT","K(Adip)-","aq","cal",,-1.76,
+"OBIGT","Li(Adip)-","aq","cal",,-2.38,
+"OBIGT","cyclohexane","aq","cal",9.35,6.64,
+"OBIGT","benzene","aq","cal",,-1.14,
+"OBIGT","ethanethiol","aq","cal",,,753
+"OBIGT","n-butanethiol","aq","cal",2.19,,
+"OBIGT","guanine","aq","cal",-4.26,,
+"OBIGT","dHUMP-","aq","cal",-3.13,,
+"OBIGT","MgADP-","aq","cal",-1.01,,
+"OBIGT","HNicMP(ox)","aq","cal",,9.4,
+"OBIGT","ribose-5-phosphate","aq","cal",,7.48,
+"OBIGT","ribose-5-phosphate-2","aq","cal",1.53,,
+"OBIGT","H4NADP(red)","aq","cal",1.73,,
+"OBIGT","H3NADP(red)-","aq","cal",2.41,,
+"OBIGT","H2NADP(red)-2","aq","cal",1.28,,
+"OBIGT","HNADP(red)-3","aq","cal",2.09,,
+"OBIGT","NADP(red)-4","aq","cal",1.09,,
+"OBIGT","H3NADP(ox)","aq","cal",1.05,,
+"OBIGT","cysteinate","aq","cal",-1,,
+"OBIGT","glucose","aq","cal",1.11,,
+"OBIGT","methyldiethanolamine","aq","cal",1.61,,
+"OBIGT","diglycine+","aq","cal",-177.69,,
+"OBIGT","diglycine-","aq","cal",-49.22,,565
+"OBIGT","triglycine+","aq","cal",,1.75,
+"OBIGT","triglycine-","aq","cal",,1.78,
+"OBIGT","oleate","aq","J",,,39179
+"OBIGT","palmitoleate","aq","J",,,-242150
+"OBIGT","heptose","aq","J",,,-75027
+"OBIGT","N-acetylmuramic acid","aq","J",,,-38589
+"OBIGT","ethanolamine","aq","J",,,4598
+"OBIGT","alaninate","aq","cal",1.89,,
+"OBIGT","histidinate","aq","cal",2.52,,
+"OBIGT","isoleucinate","aq","cal",1.61,,
+"OBIGT","methionate","aq","cal",2.42,,
+"OBIGT","prolinate","aq","cal",1.73,,
+"OBIGT","serinate","aq","cal",2.92,,
+"OBIGT","threonate","aq","cal",1.97,,
+"OBIGT","tryptophanate","aq","cal",,,2998
+"OBIGT","valinate","aq","cal",2.06,,
+"OBIGT","methylaminium","aq","J",,3.1,
+"OBIGT","dimethylaminium","aq","J",,3.08,
+"OBIGT","trimethylaminium","aq","J",,3.17,
+"OBIGT","ethylaminium","aq","J",,2.94,
+"OBIGT","diethylaminium","aq","J",,3.02,
+"OBIGT","triethylaminium","aq","J",,3.11,
+"OBIGT","propylaminium","aq","J",,3.04,
+"OBIGT","dipropylaminium","aq","J",,3.06,
+"OBIGT","tripropylaminium","aq","J",,3.35,
+"OBIGT","butylaminium","aq","J",,3.12,
+"OBIGT","dibutylamine","aq","J",,-1.3,
+"OBIGT","dibutylaminium","aq","J",,3.16,
+"OBIGT","tributylaminium","aq","J",,3.67,
+"OBIGT","pentylaminium","aq","J",,3.24,
+"OBIGT","dipentylaminium","aq","J",,3.53,
+"OBIGT","tripentylaminium","aq","J",,4.05,
+"OBIGT","hexylaminium","aq","J",,3.29,
+"OBIGT","dihexylaminium","aq","J",,3.61,
+"OBIGT","trihexylaminium","aq","J",,4.18,
+"OBIGT","heptylaminium","aq","J",,3.4,
+"OBIGT","diheptylaminium","aq","J",,3.84,
+"OBIGT","triheptylaminium","aq","J",,4.52,
+"OBIGT","octylaminium","aq","J",,3.39,
+"OBIGT","dioctylaminium","aq","J",,3.79,
+"OBIGT","trioctylaminium","aq","J",,4.44,
+"OBIGT","benzylaminium","aq","J",,2.98,
+"OBIGT","dibenzylaminium","aq","J",,3.04,
+"OBIGT","tribenzylaminium","aq","J",,2.26,
+"OBIGT","hydromagnesite","cr","cal",,,-2569
+"OBIGT","jarosite","cr","cal",,,20697
+"OBIGT","natrojarosite","cr","cal",,,17554
+"OBIGT","realgar,alpha","cr","J",,,768
+"OBIGT","realgar,beta","cr","J",,,989
+"OBIGT","orpiment","cr","J",,,-1036
+"OBIGT","dawsonite","cr","J",,,19466
+"OBIGT","ferberite","cr","J",1.21,,
+"OBIGT","willemite","cr","J",-1.47,,
+"OBIGT","rutherfordine","cr","J",-14.37,,
+"OBIGT","Eu(OH)3","cr","J",,,-860
+"OBIGT","LaF3","cr","J",,,32632
+"OBIGT","CeF3","cr","J",,,29974
+"OBIGT","PrF3","cr","J",,,28646
+"OBIGT","NdF3","cr","J",,,30967
+"OBIGT","GdF3","cr","J",,,-1160
+"OBIGT","DyF3","cr","J",,,2653
+"OBIGT","HoF3","cr","J",,,3835
+"OBIGT","ErF3","cr","J",,,-1560
+"OBIGT","TmF3","cr","J",,,-852
+"OBIGT","YbF3","cr","J",,,7468
+"OBIGT","LuF3","cr","J",,,8083
+"OBIGT","CePO4","cr","J",,,681
+"OBIGT","cadmium","cr","J",-22.72,,
+"OBIGT","germanium","cr","J",17.63,,
+"OBIGT","CoSO4","cr","cal",8.39,,
+"OBIGT","octadecane","cr","cal",-2.63,,
+"OBIGT","nonadecane","cr","cal",-13.32,,
+"OBIGT","eicosane","cr","cal",-2.79,,
+"OBIGT","heneicosane","cr","cal",-8.61,,
+"OBIGT","docosane","cr","cal",-2.63,,
+"OBIGT","tricosane","cr","cal",-5.22,,
+"OBIGT","tetracosane","cr","cal",-2.02,,
+"OBIGT","pentacosane","cr","cal",-2.93,,
+"OBIGT","hexacosane","cr","cal",-1.29,,
+"OBIGT","heptacosane","cr","cal",-1.23,,
+"OBIGT","carbazole","cr","cal",-43.39,,
+"OBIGT","triphenylene","cr","cal",,,541
+"OBIGT","deoxyadenosine","cr","cal",,,-2977
+"OBIGT","ethylene","gas","cal",-4.59,,
+"OBIGT","3,5-dimethylphenol","gas","cal",,,628
+"OBIGT","nonacontane","liq","cal",,,635
+"OBIGT","2-methyloctane","liq","cal",10,,
+"OBIGT","5,6-dithiadecane","liq","cal",2,,
+"DEW","AlO2(SiO2)-","aq","cal",,,-897
+"DEW","BO(OH)","aq","cal",,,-1111
+"DEW","CaHCO3+","aq","cal",,,-2971
+"DEW","CaCl+","aq","cal",,,-593
+"DEW","CaCO3","aq","cal",,,661
+"DEW","Ce+4","aq","cal",,-1.13,
+"DEW","CO3-2","aq","cal",,-1.41,
+"DEW","FeHCOO+","aq","cal",,,-1082
+"DEW","FeCl+2","aq","cal",,,-4165
+"DEW","FeCl2+","aq","cal",,,-8614
+"DEW","FeCl3","aq","cal",,,-14671
+"DEW","FeCl4-","aq","cal",,,-21499
+"DEW","HCN","aq","cal",,,907
+"DEW","Hg2+2","aq","cal",,,9334
+"DEW","HPO4-2","aq","cal",,-1.02,
+"DEW","KOH","aq","cal",,,-71448
+"DEW","MgHCO3+","aq","cal",,,686
+"DEW","MgOH+","aq","cal",,,11274
+"DEW","Mg(SiO2)(HCO3)+","aq","cal",,,1491
+"DEW","MgSO4","aq","cal",,,-3852
+"DEW","MnSO4","aq","cal",,,1203
+"DEW","NaHCO3","aq","cal",,,4657
+"DEW","OH-","aq","cal",,,730
+"DEW","PO4-3","aq","cal",,-1.72,
+"DEW","S2O3-2","aq","cal",,,939
+"DEW","S2O6-2","aq","cal",,,-607
+"DEW","S5O6-2","aq","cal",,,664
+"DEW","Si3O6","aq","cal",,,-21928
+"DEW","SO3-2","aq","cal",,-1.02,
+"DEW","U+4","aq","cal",,-1.13,
+"DEW","ZnCl3-","aq","cal",,,2264
+"SLOP98","LaSO4+","aq","cal",-6.02,,
+"SLOP98","CeNO3+2","aq","cal",,,874
+"SLOP98","NdF2+","aq","cal",16.64,6.19,
+"SLOP98","EuF+","aq","cal",4.11,-19.19,
+"SLOP98","EuF2","aq","cal",9.75,-40.4,
+"SLOP98","EuF3-","aq","cal",17.18,-64.45,
+"SLOP98","EuF4-2","aq","cal",26.07,-91.02,
+"SLOP98","EuCl+","aq","cal",-4.11,19.2,
+"SLOP98","EuCl2","aq","cal",-9.84,40.4,
+"SLOP98","EuCl3-","aq","cal",-17.19,64.47,
+"SLOP98","EuCl4-2","aq","cal",-26.15,91.04,
+"SLOP98","TbO+","aq","cal",,,-8907
+"SLOP98","TmCO3+","aq","cal",,,22940
+"SLOP98","Pd(SO4)3-4","aq","cal",,-1.8,
+"SLOP98","PtCl+","aq","cal",-3.52,1.25,
+"SLOP98","PtCl2","aq","cal",-7.11,2.29,
+"SLOP98","PtCl3-","aq","cal",-10.48,1.78,
+"SLOP98","PtCl4-2","aq","cal",-13.86,,
+"SLOP98","Pt(SO4)3-4","aq","cal",,-1.79,-2915
+"SLOP98","UO4-2","aq","cal",,-1.11,
+"SLOP98","ZnCl3-","aq","cal",,,2264
+"SLOP98","Zn(Ac)+","aq","cal",,,-4547
+"SLOP98","Zn(Ac)3-","aq","cal",,,-13968
+"SLOP98","Al+3","aq","cal",1.74,,
+"SLOP98","Th+4","aq","cal",,-1.14,
+"SLOP98","AsO4-3","aq","cal",,-1.65,
+"SLOP98","HNbO3","aq","cal",,,-1244
+"SLOP98","ZnO2-2","aq","cal",,-1.17,
+"SLOP98","Al(Mal)+","aq","cal",,-2.19,
+"SLOP98","Al(Oxal)+","aq","cal",,-2.62,
+"SLOP98","PuO2(Oxal)","aq","cal",,,2913
+"SLOP98","Pu(Oxal)+2","aq","cal",-1.2,-4.44,-1743
+"SLOP98","PuO2(Succ)","aq","cal",,,2912
+"SLOP98","Am(Oxal)+","aq","cal",,-1.8,3036
+"SLOP98","Cm(Oxal)+","aq","cal",,-1.8,3834
+"SLOP98","Np(Oxal)+2","aq","cal",-1.27,-4.69,2753
+"SLOP98","NpO2(Oxal)","aq","cal",,-1.94,2729
+"SLOP98","NpO2(Succ)","aq","cal",,-3.16,2728
+"SLOP98","NpO2(Glut)","aq","cal",,,2728
+"SLOP98","MgAsO4-","aq","cal",1.3,,
+"SLOP98","MnAsO4-","aq","cal",-1.45,,
+"SLOP98","AmCrO4+2","aq","cal",,,-4654
+"SLOP98","PdCl4-2","aq","cal",,-1.05,
+"SUPCRT92","almandine","cr","cal",4.43,,
+"SUPCRT92","antigorite","cr","cal",,,812
+"SUPCRT92","clinochlore,7A","cr","cal",,,666
+"SUPCRT92","daphnite,14A","cr","cal",,,-836
+"SUPCRT92","ferrosilite","cr","cal",,,694
+"SUPCRT92","ferrosilite","cr2","cal",,,694
+"SUPCRT92","glaucophane","cr","cal",-2.57,,
+"SUPCRT92","greenalite","cr","cal",,,142507
+"SUPCRT92","grunerite","cr","cal",9.72,,
+"SUPCRT92","halloysite","cr","cal",-1.6,,
+"Sandia","2-1-4 phase","cr","J",-4.39,,

pychnosz/data/extdata/misc/PM90.csv

@@ -0,0 +1,7 @@
+T,CYC_BOVIN,LYSC_CHICK,MYG_PHYCA,RNAS1_BOVIN
+5,21400,25200,31900,23100
+25,23800,27500,34900,26000
+50,25200,29500,36900,27700
+75,26000,31100,39200,29200
+100,26100,31400,39300,29800
+125,26300,31500,39500,30100

pychnosz/data/extdata/misc/RH95.csv

@@ -0,0 +1,23 @@
+"T, K","Cp, J/mol/K"
+298.15,25.08
+300,25.13
+400,27.43
+500,29.64
+600,32.01
+700,34.62
+800,37.92
+900,43.16
+1000,54.46
+1043,83.77
+1100,44.35
+1185,40
+1185,33.78
+1200,33.9
+1300,34.81
+1400,35.75
+1500,36.69
+1600,37.63
+1667,38.26
+1667,40.4
+1700,41.45
+1800,44.65

pychnosz/data/extdata/misc/RH98_Table15.csv

@@ -0,0 +1,17 @@
+compound,formula,state,[-CH3(even)],[-CH2-(even)],[>CH-(even)],[-CH(CH3)2],[>CHCH3],[-CH2-],[-CH3],[-CH3(odd)],[-CH2-(odd)],[>CH-(odd)],[>CH-],[(6)>CH2],[(6)>CHCH3],[(6)>C(CH3)2],[(trans)(6)(6)>CH-],[(trans)(6)(6)>CCH3-],[(6)>CH(CH2)6CH3],[(5)>CH2],[(trans)(6)(5)>CH-],[(trans)(6)(5)>CCH3-],[(5)>CH(CH2)5CH3],[(cis)(6)(5)>CH-],[(cis)(6)(5)>CCH3-],[(5)>CH(CH2)3CH3],[(6)(C)(C)=CH-],[(6)(CB)(C)=CH-],[(6)(C)(C)=CCH3-],[(6)(6)>CB=],[beta.(6)(C)(C)=CCH3-],[-CH2-(ether)],[(sat)-O-(sat)],[-CH2-(ester)],[(sat)-COO-(sat)]
+phytane,C20H42,cr,6,10,4,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+phytane,C20H42,liq,,,,1,3,10,1,,,,,,,,,,,,,,,,,,,,,,,,,,
+squalene,C30H62,cr,8,16,6,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+squalene,C30H62,liq,,,,2,4,16,,,,,,,,,,,,,,,,,,,,,,,,,,,
+"2,6,10,14-tetramethyl-7-(3-methylpentyl)pentadecane",C25H52,cr,,,,,,,,8,11,6,,,,,,,,,,,,,,,,,,,,,,,
+"2,6,10,14-tetramethyl-7-(3-methylpentyl)pentadecane",C25H52,liq,,,,2,3,11,1,,,,1,,,,,,,,,,,,,,,,,,,,,,
+tricyclohexaprenane,C30H56,cr,1,,1,,,,,1,,1,,7,1,1,2,2,1,,,,,,,,,,,,,,,,
+tricyclohexaprenane,C30H56,liq,,,,,2,,,,,,,7,1,1,2,2,1,,,,,,,,,,,,,,,,
+17b(H)-pentakishomohopane,C35H62,cr,0.5,,0.5,,,,,0.5,,0.5,,9,,1,3,3,,2,1,1,1,,,,,,,,,,,,
+17b(H)-pentakishomohopane,C35H62,liq,,,,,1,,,,,,,9,,1,3,3,,2,1,1,1,,,,,,,,,,,,
+"5a(H),14b(H)-cholestane",C27H48,cr,1,,1,,,,,1,,1,,8,,,3,1,,2,,,,1,1,1,,,,,,,,,
+"5a(H),14b(H)-cholestane",C27H48,liq,,,,,2,,,,,,,8,,,3,1,,2,,,,1,1,1,,,,,,,,,
+"2,6-dimethylphenanthrene",C16H14,cr,,,,,,,,,,,,,,,,,,,,,,,,,2,6,2,4,,,,,
+"2,6-dimethylphenanthrene",C16H14,liq,,,,,,,,,,,,,,,,,,,,,,,,,2,6,,4,2,,,,
+"a,w-dioxypentadecane",C15H30O2,cr,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,15,2,,
+"a,w-dicarboxypentadecane",C17H30O4,cr,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,15,2

pychnosz/data/extdata/misc/SC10_Rainbow.csv

@@ -0,0 +1,19 @@
+T,CO2,H2,pH,NH4+,H2S,CH4
+349.65,-1.8288,-1.8288,3.0312,-4.5641,-2.9213,-2.6025
+346.55,-1.8327,-1.83337,3.0951,-4.5667,-2.9251,-2.6064
+318.36,-1.8673,-1.87396,4.0461,-4.6027,-2.9625,-2.6435
+302.39,-1.8864,-1.89681,4.2666,-4.6066,-2.9854,-2.666
+280.14,-1.9132,-1.92946,4.3773,-4.5897,-3.0197,-2.6994
+250.91,-1.95,-1.97519,4.4361,-4.5675,-3.0694,-2.7476
+215.37,-1.999,-2.03745,4.5328,-4.5669,-3.1392,-2.8145
+176,-2.0662,-2.11934,4.822,-4.6086,-3.238,-2.9031
+136.63,-2.1604,-2.22286,5.1054,-4.6879,-3.3688,-3.0145
+101.09,-2.2779,-2.34903,5.2965,-4.7943,-3.5167,-3.1476
+71.865,-2.4151,-2.49815,5.498,-4.9297,-3.6791,-3.2994
+49.609,-2.569,-2.67062,5.728,-5.087,-3.8569,-3.466
+33.636,-2.736,-2.86868,5.9865,-5.2594,-4.0508,-3.6435
+22.654,-2.9129,-3.09961,6.2519,-5.4418,-4.2614,-3.8286
+15.324,-3.0964,-3.38508,6.5083,-5.6306,-4.4897,-4.019
+10.527,-3.2831,-3.8057,6.7491,-5.8236,-4.737,-4.2128
+7.429,-3.4722,-46.5282,6.9759,-6.0192,-5.0056,-4.4089
+5.446,-3.6506,-47.4549,7.1784,-6.2165,-5.2891,-4.6064

pychnosz/data/extdata/misc/SK95.csv

@@ -0,0 +1,55 @@
+name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
+alanate,NA,C3H6NO2-,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-74660,-120910,30.25,17.8,61.88,10.6281,17.3648,0.6505,-3.4968,12.685,-4.1859,1.17,-1
+glycinate,NA,C2H4NO2-,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-75280,-112300,28.48,-6.6,43.77,8.1592,11.7696,1.921,-3.2655,12.9389,-4.1859,1.1975,-1
+Ca(Gly)+,NA,Ca(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-209240,-238629,32.785,59.3,32.6,6.2431,7.4595,2.8241,-3.0873,41.4246,9.0464,0.0543,1
+Ca(Gly)2,NA,Ca(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-285555,-347942,74.749,131,89,13.9371,26.2517,-4.5733,-3.8641,82.6597,23.6485,-0.03,0
+Mg(Gly)+,NA,Mg(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-188490,-225174,6.198,64.2,28.7,5.8466,6.4953,3.1944,-3.0474,48.0086,10.0502,0.4555,1
+Mg(Gly)2,NA,Mg(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-267874,-340003,39.956,140.6,84.7,13.3443,24.8034,-4.0028,-3.8043,88.2942,25.6069,-0.03,0
+Sr(Gly)+,NA,Sr(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-211334,-239307,40.925,53.6,33.3,6.3007,7.6019,2.7652,-3.0932,36.9719,7.8914,-0.0684,1
+Sr(Gly)2,NA,Sr(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-287199,-347420,85.401,119.9,89.8,14.0476,26.5176,-4.6704,-3.8751,76.1763,21.395,-0.03,0
+Ba(Gly)+,NA,Ba(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-211341,-235808,54.327,48.6,38.7,6.9656,9.2295,2.1164,-3.1604,32.1389,6.8602,-0.2709,1
+Ba(Gly)2,NA,Ba(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-287819,-343302,102.94,110.1,95.8,14.8647,28.514,-5.4575,-3.9577,70.3874,19.383,-0.03,0
+Mn(Gly)+,NA,Mn(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-134771,-165803,25,67,33.7,6.4299,7.9186,2.6372,-3.1063,47.0493,10.6185,0.1739,1
+Mn(Gly)2,NA,Mn(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-214101,-278847,64.561,146.1,90.2,14.1002,26.6481,-4.7253,-3.8805,91.4846,26.7157,-0.03,0
+Fe(Gly)+,NA,Fe(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-103038,-135251,20,58,28,5.6774,6.0837,3.3533,-3.0304,42.4593,8.7852,0.2482,1
+Fe(Gly)2,NA,Fe(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-182709,-248527,58.018,128.5,83.9,13.2339,24.5311,-3.8903,-3.793,81.1932,23.1388,-0.03,0
+Ni(Gly)+,NA,Ni(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-94541,-129289,12,49.9,20.4,4.6813,3.6515,4.3097,-2.9299,38.8214,7.1352,0.3686,1
+Ni(Gly)2,NA,Ni(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-176531,-246055,48,112.7,75.4,12.0787,21.7107,-2.7819,-3.6764,71.9311,19.9195,-0.03,0
+Cu(Gly)+,NA,Cu(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-71295,-102408,25,63.4,25.3,5.2864,5.1238,3.7413,-2.9907,44.9395,9.8852,0.1739,1
+Cu(Gly)2,NA,Cu(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-156477,-221770,63,139,80.9,12.8262,23.5338,-3.4944,-3.7518,87.3679,25.285,-0.03,0
+Zn(Gly)+,NA,Zn(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-117818,-151609,18,62.1,25.6,5.3677,5.3226,3.6628,-2.9989,45.1185,9.6102,0.2792,1
+Zn(Gly)2,NA,Zn(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-199139,-267408,55,136.4,81.3,12.8771,23.6625,-3.5537,-3.7571,85.8243,24.7484,-0.03,0
+Pb(Gly)+,NA,Pb(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-88450,-112312,56.918,47.7,35.3,6.4949,8.079,2.5712,-3.1129,31.2483,6.6769,-0.3103,1
+Pb(Gly)2,NA,Pb(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-168353,-222992,106.33,108.3,92.1,14.355,27.2722,-4.9746,-3.9063,69.3582,19.0253,-0.03,0
+Co(Gly)+,NA,Co(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-95195,-129082,15,58.7,25.5,5.3683,5.3273,3.6539,-2.9991,43.5722,8.9227,0.326,1
+Co(Gly)2,NA,Co(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-175957,-243427,55,129.8,81.2,12.8601,23.6197,-3.5341,-3.7553,81.9652,23.407,-0.03,0
+Cd(Gly)+,NA,Cd(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-100236,-132088,27,68.4,35.3,6.6477,8.4525,2.4231,-3.1283,47.5446,10.8935,0.1417,1
+Cd(Gly)2,NA,Cd(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-180576,-246607,65,148.7,92.1,14.355,27.2722,-4.9746,-3.9063,93.0282,27.2523,-0.03,0
+Eu(Gly)+,NA,Eu(C2H4NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-206629,-234136,47.919,89.8,50.3,8.5841,13.176,0.5767,-3.3236,57.1645,15.2476,-0.1738,1
+Eu(Gly)2,NA,Eu(C2H4NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-283817,-342929,94.554,190.4,108.7,16.6314,32.8272,-7.1514,-4.136,117.4699,35.7476,-0.03,0
+Ca(Ala)+,NA,Ca(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-208472,-247083,34.555,104.6,50.7,8.7124,13.4888,0.454,-3.3365,67.7227,18.2713,0.0279,1
+Ca(Ala)2,NA,Ca(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-284046,-364714,78.835,239.1,127.3,19.1765,39.0448,-9.6021,-4.393,146.0369,45.6768,-0.03,0
+Mg(Ala)+,NA,Mg(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-185839,-231745,7.968,109.5,46.8,8.3169,12.5282,0.821,-3.2968,74.3351,19.275,0.4322,1
+Mg(Ala)2,NA,Mg(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-262231,-352641,44.042,248.8,123,18.5836,37.5967,-9.0318,-4.3331,151.6713,47.6352,-0.03,0
+Sr(Ala)+,NA,Sr(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-210430,-247624,42.695,98.9,51.4,8.77,13.6312,0.3947,-3.3424,63.2691,17.1163,-0.0948,1
+Sr(Ala)2,NA,Sr(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-285431,-363933,89.487,228.1,128.1,19.2869,39.3109,-9.699,-4.404,139.5534,43.4233,-0.03,0
+Ba(Ala)+,NA,Ba(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-210013,-243703,56.097,93.7,56.8,9.4348,15.2528,-0.2391,-3.4095,58.4325,16.085,-0.2977,1
+Ba(Ala)2,NA,Ba(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-285287,-359051,107.026,218.2,134.1,20.104,41.3073,-10.4865,-4.4865,133.7647,41.4112,-0.03,0
+Mn(Ala)+,NA,Mn(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-133580,-173180,28.965,112.3,51.8,8.8873,13.9167,0.2842,-3.3542,73.0237,19.8433,0.1124,1
+Mn(Ala)2,NA,Mn(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-212074,-294245,71.52,254.2,128.5,19.3395,39.4414,-9.7539,-4.4094,154.8617,48.744,-0.03,0
+Fe(Ala)+,NA,Fe(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-103252,-145766,18.058,103.3,46.1,8.1661,12.1558,0.976,-3.2814,69.2856,18.01,0.2792,1
+Fe(Ala)2,NA,Fe(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-182987,-268535,57.246,236.6,122.2,18.4732,37.3244,-8.9189,-4.3219,144.5703,45.1671,-0.03,0
+Ni(Ala)+,NA,Ni(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-93527,-137131,15,95.2,38.5,7.1451,9.664,1.9536,-3.1784,64.9703,16.36,0.326,1
+Ni(Ala)2,NA,Ni(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-174545,-262972,50,220.8,113.8,17.318,34.504,-7.8105,-4.2053,135.3083,41.9478,-0.03,0
+Cu(Ala)+,NA,Cu(C3H6NO2)+,aq,SK95,CHNOSZ,2007-10-12,HKF,cal,-70595,-109970,25,108.7,43.4,7.7387,11.1165,1.3762,-3.2385,70.7759,19.11,0.0974,1
+Cu(Ala)2,NA,Cu(C3H6NO2)2,aq,SK95,CHNOSZ,2007-10-12,HKF,cal,-154654,-237360,65,247.2,119.2,18.0655,36.3271,-8.523,-4.2807,150.7452,47.3132,-0.03,0
+Zn(Ala)+,NA,Zn(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-116613,-160464,17,107.4,43.8,7.8514,11.3891,1.2746,-3.2497,71.8106,18.835,0.2956,1
+Zn(Ala)2,NA,Zn(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-197112,-283389,60,244.5,119.6,18.1164,36.4558,-8.5823,-4.286,149.2015,46.7767,-0.03,0
+Pb(Ala)+,NA,Pb(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-87191,-120275,58.688,93,53.4,8.964,14.1088,0.1992,-3.3622,57.5413,15.9017,-0.3372,1
+Pb(Ala)2,NA,Pb(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-166271,-239191,110.416,216.4,130.4,19.5944,40.0653,-10.0034,-4.4352,132.7356,41.0535,-0.03,0
+Co(Ala)+,NA,Co(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-94099,-136245,20,104,43.6,7.8202,11.3148,1.299,-3.2467,69.3955,18.1475,0.2482,1
+Co(Ala)2,NA,Co(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-173793,-259272,60,238,119.4,18.0995,36.4127,-8.5626,-4.2842,145.3423,45.4353,-0.03,0
+Cd(Ala)+,NA,Cd(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-100082,-141016,29.238,113.7,53.4,9.1151,14.4742,0.063,-3.3773,73.7914,20.1183,0.1098,1
+Cd(Ala)2,NA,Cd(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-179940,-263420,71.877,256.8,130.4,19.5944,40.0653,-10.0034,-4.4352,156.4053,49.2806,-0.03,0
+Eu(Ala)+,NA,Eu(C3H6NO2)+,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-205329,-242057,49.689,135,68.4,11.0532,19.2058,-1.7947,-3.5729,83.4588,24.4724,-0.2006,1
+Eu(Ala)2,NA,Eu(C3H6NO2)2,aq,SK95,CHNOSZ,2006-09-03,HKF,cal,-281121,-358514,98.64,298.5,147,21.8707,45.6205,-12.1799,-4.6649,180.847,57.7759,-0.03,0

pychnosz/data/extdata/misc/SOJSH.csv

@@ -0,0 +1,61 @@
+P,T,logK,pch,source
+Psat,23.1,0.777,0,"Millero, 1970"
+Psat,17.4,0.809,2,"Eigen and Wicke, 1954"
+Psat,102,0.609,2,"Eigen and Wicke, 1954"
+Psat,303.4,-1.137,1,"Pearson et al., 1963"
+Psat,323.5,-1.245,1,"Pearson et al., 1963"
+Psat,347.7,-1.527,1,"Pearson et al., 1963"
+Psat,362.4,-1.837,1,"Pearson et al., 1963"
+500,310.2,-0.839,18,"Oelkers and Helgeson, 1988"
+500,322.2,-0.838,18,"Oelkers and Helgeson, 1988"
+500,405.7,-1.592,18,"Oelkers and Helgeson, 1988"
+500,458.4,-3.144,18,"Oelkers and Helgeson, 1988"
+1000,311.4,-0.487,5,"Oelkers and Helgeson, 1988"
+1000,320.7,-0.271,5,"Oelkers and Helgeson, 1988"
+1000,406.9,-1.186,5,"Oelkers and Helgeson, 1988"
+1000,458,-1.63,5,"Oelkers and Helgeson, 1988"
+1000,506.5,-2.169,5,"Oelkers and Helgeson, 1988"
+1000,555,-2.91,5,"Oelkers and Helgeson, 1988"
+1000,594.1,-3.557,5,"Oelkers and Helgeson, 1988"
+1000,606.2,-3.732,5,"Oelkers and Helgeson, 1988"
+1000,705.9,-5.025,5,"Oelkers and Helgeson, 1988"
+1500,406.8,-0.889,18,"Oelkers and Helgeson, 1988"
+1500,457.9,-1.333,18,"Oelkers and Helgeson, 1988"
+1500,506.3,-1.628,18,"Oelkers and Helgeson, 1988"
+1500,554.8,-2.045,18,"Oelkers and Helgeson, 1988"
+1500,595.1,-2.354,18,"Oelkers and Helgeson, 1988"
+1500,607.2,-2.448,18,"Oelkers and Helgeson, 1988"
+1500,709.5,-3.512,18,"Oelkers and Helgeson, 1988"
+1500,809.1,-4.521,18,"Oelkers and Helgeson, 1988"
+2000,408.1,-0.7,5,"Oelkers and Helgeson, 1988"
+2000,456.5,-1.09,5,"Oelkers and Helgeson, 1988"
+2000,507.6,-1.331,5,"Oelkers and Helgeson, 1988"
+2000,554.7,-1.707,5,"Oelkers and Helgeson, 1988"
+2000,596.3,-1.854,5,"Oelkers and Helgeson, 1988"
+2000,607.1,-1.948,5,"Oelkers and Helgeson, 1988"
+2000,708,-2.674,5,"Oelkers and Helgeson, 1988"
+2000,808.9,-3.481,5,"Oelkers and Helgeson, 1988"
+2500,457.8,-0.819,18,"Oelkers and Helgeson, 1988"
+2500,507.5,-1.06,18,"Oelkers and Helgeson, 1988"
+2500,554.6,-1.45,18,"Oelkers and Helgeson, 1988"
+2500,596.3,-1.57,18,"Oelkers and Helgeson, 1988"
+2500,607,-1.651,18,"Oelkers and Helgeson, 1988"
+2500,707.8,-2.201,18,"Oelkers and Helgeson, 1988"
+2500,808.7,-2.832,18,"Oelkers and Helgeson, 1988"
+3000,457.8,-0.657,5,"Oelkers and Helgeson, 1988"
+3000,506.1,-0.885,5,"Oelkers and Helgeson, 1988"
+3000,555.9,-1.261,5,"Oelkers and Helgeson, 1988"
+3000,596.2,-1.341,5,"Oelkers and Helgeson, 1988"
+3000,607,-1.448,5,"Oelkers and Helgeson, 1988"
+3000,709.1,-1.85,5,"Oelkers and Helgeson, 1988"
+3000,811.2,-2.4,5,"Oelkers and Helgeson, 1988"
+3500,508.8,-0.709,18,"Oelkers and Helgeson, 1988"
+3500,557.2,-1.086,18,"Oelkers and Helgeson, 1988"
+3500,597.5,-1.097,18,"Oelkers and Helgeson, 1988"
+3500,606.9,-1.286,18,"Oelkers and Helgeson, 1988"
+3500,707.7,-1.593,18,"Oelkers and Helgeson, 1988"
+3500,811.2,-2.048,18,"Oelkers and Helgeson, 1988"
+4000,555.8,-0.964,5,"Oelkers and Helgeson, 1988"
+4000,597.4,-0.989,5,"Oelkers and Helgeson, 1988"
+4000,709,-1.444,5,"Oelkers and Helgeson, 1988"
+4000,809.7,-1.805,5,"Oelkers and Helgeson, 1988"