[CHNOSZ-commits] r534 - in pkg/CHNOSZ: . inst/extdata/OBIGT vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Tue Jun 30 10:05:21 CEST 2020
Author: jedick
Date: 2020-06-30 10:05:21 +0200 (Tue, 30 Jun 2020)
New Revision: 534
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/inst/extdata/OBIGT/DEW_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
pkg/CHNOSZ/vignettes/elementa.csl
pkg/CHNOSZ/vignettes/obigt.Rmd
pkg/CHNOSZ/vignettes/obigt.bib
Log:
add all DEW references
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2020-06-29 04:55:42 UTC (rev 533)
+++ pkg/CHNOSZ/DESCRIPTION 2020-06-30 08:05:21 UTC (rev 534)
@@ -1,6 +1,6 @@
-Date: 2020-06-29
+Date: 2020-06-30
Package: CHNOSZ
-Version: 1.3.6-10
+Version: 1.3.6-11
Title: Thermodynamic Calculations and Diagrams for Geochemistry
Authors at R: c(
person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/DEW_aq.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/DEW_aq.csv 2020-06-29 04:55:42 UTC (rev 533)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/DEW_aq.csv 2020-06-30 08:05:21 UTC (rev 534)
@@ -1,200 +1,198 @@
name,abbrv,formula,state,ref1,ref2,date,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
-acetate,ACETATE,CH3COO-,aq,DEW17,DEW17.7,26.Sep.17,cal,-88270,-116180,20.6,6.31,40.55,10.018,2.809,6.72,-2.8941,26.3,-3.86,1.3182,-1
-"acetic acid",ACETIC-ACID,CH3COOH,aq,PS01.1,NA,26.Sep.17,cal,-94760,-116100,42.7,40.26,51.57,11.5,5.5,1.67,-2.87,44.9,-2.63,-0.076,0
-Ag+,Ag(+),Ag+,aq,DEW17,NA,26.Sep.17,cal,18427,25275,17.54,7.9,-0.8,2.0464,-4.3877,7.0182,-2.5976,12.7863,-1.4254,0.216,1
-AgCl,AgCl(0),AgCl,aq,DEW17,NA,26.Sep.17,cal,-17450,-18270,34.1,6.7,27,6.7458,2.1396,3.0441,-2.8675,9.7432,-1.6698,-0.038,0
-AgCl2-,AgCl2(-),AgCl2-,aq,DEW17,NA,26.Sep.17,cal,-51560,-61130,47,7.7,53,12.2533,7.3832,-1.3527,-3.0842,19.1265,-1.4661,0.9169,-1
-Al+3,Al(+3),Al+3,aq,DEW17,NA,26.Sep.17,cal,-115609,-126834,-77.7,-31.04,-44.4,-3.3802,-17.0071,14.5185,-2.0758,10.7,-8.06,2.753,3
+acetate,ACETATE,CH3COO-,aq,Sho95,DEW17.7,26.Sep.17,cal,-88270,-116180,20.6,6.31,40.55,10.018,2.809,6.72,-2.8941,26.3,-3.86,1.3182,-1
+"acetic acid",ACETIC-ACID,CH3COOH,aq,PS01,DEW17.01,26.Sep.17,cal,-94760,-116100,42.7,40.26,51.57,11.5,5.5,1.67,-2.87,44.9,-2.63,-0.076,0
+Ag+,Ag(+),Ag+,aq,SH88,DEW17.2,26.Sep.17,cal,18427,25275,17.54,7.9,-0.8,2.0464,-4.3877,7.0182,-2.5976,12.7863,-1.4254,0.216,1
+AgCl,AgCl(0),AgCl,aq,SSH97,DEW17.6,26.Sep.17,cal,-17450,-18270,34.1,6.7,27,6.7458,2.1396,3.0441,-2.8675,9.7432,-1.6698,-0.038,0
+AgCl2-,AgCl2(-),AgCl2-,aq,SSH97,DEW17.6,26.Sep.17,cal,-51560,-61130,47,7.7,53,12.2533,7.3832,-1.3527,-3.0842,19.1265,-1.4661,0.9169,-1
+Al+3,Al(+3),Al+3,aq,SSWS97,DEW17.05,26.Sep.17,cal,-115609,-126834,-77.7,-31.04,-44.4,-3.3802,-17.0071,14.5185,-2.0758,10.7,-8.06,2.753,3
AlO2-,AlO2(-),AlO2-,aq,PH95,SHA14.1,26.Sep.17,cal,-198693,-222125,-7.22,-9.55,10,4.298,2.4976,-1.8258,-2.8823,19.1,-6.2,1.7418,-1
-argon,Ar(0),Ar,aq,DEW17,NA,26.Sep.17,cal,3900,-2870,14.3,53.35,31.71,6.0003,6.8698,3.0499,-3.063,35.6471,7.316,-0.3073,0
-Au+,Au(+),Au+,aq,DEW17,NA,26.Sep.17,cal,39000,47580,24.5,0.6,11.1,3.3303,0.4233,5.6044,-2.7965,8.1767,-2.9123,0.18,1
-Au+3,Au(+3),Au+3,aq,DEW17,NA,26.Sep.17,cal,103600,96930,-57.9,-36.2,-41.3,-8.0309,-2.3071,13.7983,-2.6836,7.5724,-10.4085,2.4554,3
-Ba+2,Ba(+2),Ba+2,aq,DEW17,NA,26.Sep.17,cal,-134030,-128500,2.3,-12.29,-12.6,1.1011,-8.7609,8.1491,-2.4168,8.0413,-5.5371,0.985,2
-BaCl+,BaCl(+),BaCl+,aq,DEW17,NA,26.Sep.17,cal,-164730,-165770,22.5,6.18,16.8,4.8851,0.368,4.5296,-2.7942,11.7469,-1.7758,0.2126,1
-Be+2,Be(+2),Be+2,aq,DEW17,NA,26.Sep.17,cal,-83500,-91500,-55.7,-1.3,-25.4,-1.4187,-9.4791,9.9786,-2.3871,22.9154,-3.2995,1.9007,2
-benzene,BENZENE,C6H6,aq,DEW17,NA,26.Sep.17,cal,32000,12230,35.7,89.12,83,17.5199,12.3976,-5.5571,-3.2915,66.9,9.8,-0.25,0
+Ar,Ar(0),Ar,aq,SHS89,DEW17.04,26.Sep.17,cal,3900,-2870,14.3,53.35,31.71,6.0003,6.8698,3.0499,-3.063,35.6471,7.316,-0.3073,0
+Au+,Au(+),Au+,aq,SH88,DEW17.2,26.Sep.17,cal,39000,47580,24.5,0.6,11.1,3.3303,0.4233,5.6044,-2.7965,8.1767,-2.9123,0.18,1
+Au+3,Au(+3),Au+3,aq,SH88,DEW17.2,26.Sep.17,cal,103600,96930,-57.9,-36.2,-41.3,-8.0309,-2.3071,13.7983,-2.6836,7.5724,-10.4085,2.4554,3
+Ba+2,Ba(+2),Ba+2,aq,SH88,DEW17.2,26.Sep.17,cal,-134030,-128500,2.3,-12.29,-12.6,1.1011,-8.7609,8.1491,-2.4168,8.0413,-5.5371,0.985,2
+BaCl+,BaCl(+),BaCl+,aq,SSH97,DEW17.5,26.Sep.17,cal,-164730,-165770,22.5,6.18,16.8,4.8851,0.368,4.5296,-2.7942,11.7469,-1.7758,0.2126,1
+Be+2,Be(+2),Be+2,aq,SH88,DEW17.2,26.Sep.17,cal,-83500,-91500,-55.7,-1.3,-25.4,-1.4187,-9.4791,9.9786,-2.3871,22.9154,-3.2995,1.9007,2
+benzene,BENZENE,C6H6,aq,PS01,DEW17.3,26.Sep.17,cal,32000,12230,35.7,89.12,83,17.5199,12.3976,-5.5571,-3.2915,66.9,9.8,-0.25,0
BO(OH),BO(OH)(0),BO(OH),aq,SH88,SHA14.2,26.Sep.17,cal,-174854,-188505,24,3.76,20.49,5.54,1.38,3.1,-2.84,25,-10,0.1,0
BO2-,BO2(-),BO2-,aq,SH88,SHA14.2,26.Sep.17,cal,-162240,-184600,-8.9,-9,-16.02,-0.855,-2.596,3.7,-2.6717,17.102,-4.8679,1.7595,-1
-Ca(HCO3)+,Ca(HCO3)(+),Ca(HCO3)+,aq,DEW17,NA,26.Sep.17,cal,-273830,-294350,16,90.95,37.51,9.14,4.42,1.13,-2.96,65.9,15.5,0.7,1
-CaOH+,Ca(OH)(+),Ca(OH)+,aq,DEW17,NA,26.Sep.17,cal,-171300,-179600,6.7,1.4,1.9,2.1051,-2.2789,6.749,-2.6848,11.1292,-2.7494,0.4496,1
-CaCl+,CaCl(+),CaCl+,aq,DEW17,NA,26.Sep.17,cal,-163100,-168607,4.5,17.5,11.3,3.9392,-0.5326,5.2847,-2.757,20.7297,0.5302,0.4675,1
-CaCl2,CaCl(0),CaCl,aq,DEW17,NA,26.Sep.17,cal,-194000,-211060,6,29.77,33.3,7.9694,3.3045,2.0673,-2.9156,23.2636,3.0296,-0.038,0
-CaCO3,CaCO3(0),CaCO3,aq,DEW17,NA,26.Sep.17,cal,-262750,-287390,0,14.01,21.53,6.66,2.05,3.12,-2.86,32.8,-0.18,2,0
-CaSO4,CaSO4(0),CaSO4,aq,DEW17,NA,26.Sep.17,cal,-312930,-345900,5,-25,4.7,2.415,-1.9839,6.5015,-2.697,-8.835,-8.1271,-0.038,0
-Cd+2,Cd(+2),Cd+2,aq,DEW17,NA,26.Sep.17,cal,-18560,-18140,-17.4,-3.5,-15.6,0.542,-8.9202,8.5551,-2.4102,15.6572,-3.7476,1.2528,2
-Ce+3,Ce(+3),Ce+3,aq,DEW17,NA,26.Sep.17,cal,-161600,-167400,-49,-38.6,-39.8,-7.6866,-2.5596,13.5864,-2.6732,4.0444,-10.8973,2.2251,3
-Ce+4,Ce(+4),Ce+4,aq,DEW17,NA,26.Sep.17,cal,-121300,-137700,-100.1,0.1,-53.3,-15.6355,11.3069,17.61,-3.2464,40.2794,-3.0143,3.6964,4
-CN-,CN(-),CN-,aq,DEW17,NA,26.Sep.17,cal,41200,36000,22.5,-32.7,24.2,5.0522,6.8757,3.7084,-3.0632,-1.1133,-9.6957,1.29,-1
-CO,CO(0),CO,aq,DEW17,NA,26.Sep.17,cal,-28682,-28910,24.53,64.5,33.8,7.9065,3.2446,2.1175,-2.9131,40.545,10.1041,-0.3715,0
-Co+2,Co(+2),Co+2,aq,DEW17,NA,26.Sep.17,cal,-13000,-13900,-27,-7.8,-24.4,-1.4299,-9.4823,9.9867,-2.387,15.2015,-4.6235,1.4769,2
-Co+3,Co(+3),Co+3,aq,DEW17,NA,26.Sep.17,cal,32000,22000,-73,-32.3,-43.9,-8.7545,-1.7764,14.2439,-2.7056,12.2499,-9.614,2.715,3
-CO2,CO2(0),CO2,aq,FDM+14,NA,26.Sep.17,cal,-92250,-98900,28.1,52.05,32.78,7.79,3.14,2.21,-2.91,37,6.5,-0.2,0
-CO3-2,CO3(-2),CO3-2,aq,FDM+14,NA,26.Sep.17,cal,-126191,-161385,-12.95,-65.02,-5.01,5.8,5,-2,-10.8,18,-20,4.6,-2
-Cr+2,Cr(+2),Cr+2,aq,DEW17,NA,26.Sep.17,cal,-39400,-39000,-24.2,-7.3,-22.3,-0.9561,-9.3472,9.6428,-2.3926,15.0507,-4.5216,1.4287,2
-Cr+3,Cr(+3),Cr+3,aq,DEW17,NA,26.Sep.17,cal,-49300,-60000,-77,-22.9,-40,-7.2905,-2.8502,13.3424,-2.6612,17.9917,-7.6993,2.7403,3
-Cr2O7-2,Cr2O7(-2),Cr2O7-2,aq,DEW17,NA,26.Sep.17,cal,-311000,-356200,62.6,-20.4,73,16.7844,11.6973,-4.9699,-3.2626,15.0819,-7.19,2.2654,-2
-CrO4-2,CrO4(-2),CrO4-2,aq,DEW17,NA,26.Sep.17,cal,-174800,-210930,13.8,-62.6,19.8,10.0393,-6.2133,1.6595,-2.5221,-2.8604,-15.7863,3.0024,-2
-Cu+,Cu(+),Cu+,aq,DEW17,NA,26.Sep.17,cal,11950,17132,9.7,13.7,-8,1.2958,-7.2006,7.8447,-2.4813,17.283,-0.2439,0.3351,1
-Cu+2,Cu(+2),Cu+2,aq,DEW17,NA,26.Sep.17,cal,15675,15700,-23.2,-2.23,-24.6,-1.4776,-9.4959,10.0214,-2.3864,18.4677,-3.4883,1.4769,2
-diglycine,DIGLYCINE,C4H8O3N2,aq,DEW17,NA,26.Sep.17,cal,-119100,0,74.3,27.86,76.31,15.81,10.77,-4.19,-3.22,41.1,-11.5,-1.1,0
-diketopiperazine,DKP,C4H6O2N2,aq,DEW17,NA,26.Sep.17,cal,-62500,0,63,17,76.73,16.1966,11.1376,-4.5007,-3.2394,11.7979,0.4283,-0.4702,0
-Dy+3,Dy(+3),Dy+3,aq,DEW17,NA,26.Sep.17,cal,-158700,-166500,-55.2,-31.7,-40.7,-7.8787,-2.4188,13.7046,-2.679,9.5076,-9.4919,2.3792,3
-Er+3,Er(+3),Er+3,aq,DEW17,NA,26.Sep.17,cal,-159900,-168500,-58.3,-34.3,-43,-8.699,-1.8171,14.2097,-2.7039,8.2815,-10.0215,2.4115,3
-ethane,ETHANE,C2H6,aq,DEW17,NA,26.Sep.17,cal,-3886,-24650,26.81,88.3,51.2,11.2692,6.4463,-0.567,-3.0455,54.1755,14.9521,-0.406,0
-ethanol,ETHANOL,C2H5OH,aq,DEW17,NA,26.Sep.17,cal,-43330,-68650,35.9,62.2,55.08,9.2333,9.9581,12.1445,-3.1906,60.0175,0.1507,-0.2037,0
-ethylene,ETHYLENE,C2H4,aq,DEW17,NA,26.Sep.17,cal,19450,8570,28.6,66.9,46,10.3054,5.5286,0.2024,-3.0076,42.5181,10.5929,-0.31,0
-Eu+2,Eu(+2),Eu+2,aq,DEW17,NA,26.Sep.17,cal,-129200,-126150,-2.4,-11.4,-15.3,0.5193,-8.9267,8.5716,-2.41,9.5541,-5.3568,1.0929,2
-Eu+3,Eu(+3),Eu+3,aq,DEW17,NA,26.Sep.17,cal,-137300,-144700,-53,-36.6,-41.3,-8.1578,-2.214,13.8765,-2.6875,6.0547,-10.49,2.3161,3
-Fe(Ac)+,Fe(CH3COO)(+),Fe(CH3COO)+,aq,DEW17,NA,26.Sep.17,cal,-111900,-139060,-1.5,81.2,25.2,6.6906,2.087,3.0882,-2.8653,59.0576,13.5058,0.5756,1
-Fe(Ac)2,Fe(CH3COO)2(0),Fe(CH3COO)2,aq,DEW17,NA,26.Sep.17,cal,-201800,-259100,11.53,184.2,66.9,14.4948,9.5174,-3.1421,-3.1724,113.7691,34.4869,-0.038,0
-FeOH+,FeOH(+),FeOH+,aq,DEW17,NA,26.Sep.17,cal,-65850,0,-10,15,2,2.2461,-2.1446,6.6364,-2.6903,21.4354,0.0209,0.70314,1
-Fe+2,Fe(+2),Fe+2,aq,DEW17,NA,26.Sep.17,cal,-21870,,-25.3,-7.9,-22.2,-0.9153,-9.3356,9.6131,-2.3931,14.9634,-4.6439,1.4574,2
-Fe+3,Fe(+3),Fe+3,aq,DEW17,NA,26.Sep.17,cal,-4120,-11850,-66.3,-18.6,-37,-6.3271,-3.5568,12.7493,-2.632,19.0461,-6.8234,2.5812,3
-FeCl+,FeCl(+),FeCl+,aq,DEW17,NA,26.Sep.17,cal,-53030,-61260,-10.06,20.57,5.8,2.9827,-1.4433,6.0483,-2.7193,24.6737,1.1555,0.7003,1
-FeCl+2,FeCl(++),FeCl+2,aq,DEW17,NA,26.Sep.17,cal,-37573,-50875,-28.7,3.3,-19,-1.4537,-5.6672,9.59,-2.5447,21.8511,-2.3624,1.4925,2
-FeCl2,FeCl2(0),FeCl2,aq,DEW17,NA,26.Sep.17,cal,-73480,-78490,43,28.14,28.4,7.0177,2.3984,2.827,-2.8782,22.3083,2.6975,-0.038,0
-FeCl2+,FeCl2(+),FeCl2+,aq,DEW17,NA,26.Sep.17,cal,-69429,-91824,-2,5.1,8,3.3538,-1.09,5.7521,-2.7339,14.5275,-1.9957,0.5831,1
-FeCl3,FeCl3(0),FeCl3,aq,DEW17,NA,26.Sep.17,cal,-99307,-134400,18,-28,37.4,8.9278,4.217,1.3022,-2.9533,-7.4793,-8.7382,0.3,0
-FeCl4-,FeCl4(-),FeCl4-,aq,DEW17,NA,26.Sep.17,cal,-127917,-180057,26,-95.9,55.8,12.9503,8.0468,-1.9091,-3.1117,-38.6469,-22.5694,1.2363,-1
-FeO,FeO(0),FeO,aq,DEW17,NA,26.Sep.17,cal,-50720,,-10,0,3,2.2469,-2.1438,6.6357,-2.6904,8.9305,-3.0346,0.3,0
-formate,FORMATE,HCOO-,aq,SH90.1,DEW17.1,26.Sep.17,cal,-83862,-101680,21.7,-20.18,26.16,5.2684,7.6836,3.4706,-3.0966,17,-12.4,1.3003,-1
-"formic acid",FORMIC-ACID,HCOOH,aq,SH90.1,DEW17.3,26.Sep.17,cal,-88982,-101680,38.9,19.02,34.69,8.0925,3.4217,1.9691,-2.9205,22.1924,-3.1196,-0.3442,0
-Ga+3,Ga(+3),Ga+3,aq,DEW17,NA,26.Sep.17,cal,-38000,-50600,-79,-30.8,-44.9,-9.1126,-1.5137,14.4643,-2.7164,13.2449,-9.3085,2.7276,3
-Gd+3,Gd(+3),Gd+3,aq,DEW17,NA,26.Sep.17,cal,-158600,-164200,-49.2,-35.9,-40.4,-7.8159,-2.4648,13.666,-2.6771,6.5607,-10.3474,2.3265,3
-glutamate,GLUTAMATE,C5H8NO4-,aq,DEW17,NA,26.Sep.17,cal,-167258,0,44.4,11.11,79.71,17.46,12.34,-5.51,-3.29,50,-14.8,0.9569,-1
-"glutamic acid",GLUTAMIC,C5H9NO4,aq,DEW17,NA,26.Sep.17,cal,-173050,-234820,61.2,44.02,90.16,19.3,13.3,-4.4,-3.33,69.2,-9.22,0.7,0
-glutamine,GLUTAMINE,C5H10N2O3,aq,DEW17,NA,26.Sep.17,cal,-126280,-191860,62.41,43.78,93.72,19.8075,14.5756,-7.3834,-3.3816,33.4802,5.8825,0.18,0
-H-glutarate,GLUTARATE-,C5H7O4-,aq,DEW17,NA,26.Sep.17,cal,-170860,-223570,52.9,20.11,85.91,18.6019,13.4277,-6.4209,-3.3341,25.5789,1.0616,0.8279,-1
-"glutaric acid",GLUTARIC-ACID,C5H8O4,aq,DEW17,NA,26.Sep.17,cal,-176780,-223440,73.2,64.11,99.09,20.7169,15.4414,-8.1094,-3.4173,42.815,10.0236,-0.1,0
-glycine,GLYCINE,C2H5NO2,aq,DEW17,NA,26.Sep.17,cal,-90950,-124780,39.3,9.49,43.29,10.8,1.3,7.6,-3.5,28,-8.2,0.2,0
-glycolate,GLYCOLATE,C2H3O3-,aq,DEW17,NA,26.Sep.17,cal,-121170,-154700,26.2,6.5,39.85,6.7382,13.1933,1.8519,-3.3244,21.339,-1.7106,1.2334,-1
-"glycolic acid",GLYCOLIC-ACID,C2H4O3,aq,DEW17,NA,26.Sep.17,cal,-126400,-154890,43.1,45.5,51.75,11.4261,6.5956,-0.6923,-3.0517,30.0532,6.2338,-0.3017,0
-H-succinate,H-SUCCINATE,C4H5O4-,aq,DEW17,NA,26.Sep.17,cal,-172060,-217350,45.2,9.3,69.99,15.5663,10.5375,-3.9975,-3.2146,20.3194,-1.1402,0.9446,-1
-H2AsO3-,H2AsO3(-),H2AsO3-,aq,DEW17,NA,26.Sep.17,cal,-140330,-170840,26.4,-2.9,26.4,7.2377,2.6079,2.6514,-2.8868,15.8033,-3.6254,1.2305,-1
-H2AsO4-,H2AsO4(-),H2AsO4-,aq,DEW17,NA,26.Sep.17,cal,-180010,-217390,28,-0.7,35.1,8.9154,4.2052,1.3121,-2.9528,16.8623,-3.1772,1.2055,-1
-H2P2O7-2,H2P2O7(-2),H2P2O7-2,aq,DEW17,NA,26.Sep.17,cal,-480400,-544600,39,-20.3,52.4,12.9546,8.0509,-1.9125,-3.1118,18.424,-7.1696,2.6218,-2
-H2PO4-,H2PO4(-),H2PO4-,aq,DEW17,NA,26.Sep.17,cal,-270140,-309820,21.6,-7,31.3,8.2228,3.5458,1.865,-2.9256,14.0436,-4.4605,1.3003,-1
-H2S,H2S(0),H2S,aq,DEW17,NA,26.Sep.17,cal,-6673,-9001,30,42.83,34.92,8.2543,3.5757,1.8399,-2.9268,30.3482,5.6905,-0.1,0
-H2VO4-,H2VO4(-),H2VO4-,aq,DEW17,NA,26.Sep.17,cal,-244000,-280600,29,0.6,29,7.7232,3.0701,2.2638,-2.9059,17.4795,-2.9124,1.1898,-1
-H3P2O7-,H3P2O7(-),H3P2O7-,aq,DEW17,NA,26.Sep.17,cal,-483600,-544100,51,29.6,51,11.8361,6.986,-1.0196,-3.0678,31.4073,2.9948,0.8568,-1
-H3PO4,H3PO4(0),H3PO4,aq,DEW17,NA,26.Sep.17,cal,-273100,-307920,38,23.6,48.1,10.7564,5.958,-0.1576,-3.0253,17.9708,1.7727,-0.22,0
+Ca(HCO3)+,Ca(HCO3)(+),Ca(HCO3)+,aq,FDM+14,DEW17.03,26.Sep.17,cal,-273830,-294350,16,90.95,37.51,9.14,4.42,1.13,-2.96,65.9,15.5,0.7,1
+CaOH+,Ca(OH)(+),Ca(OH)+,aq,SSWS97,DEW17.3,26.Sep.17,cal,-171300,-179600,6.7,1.4,1.9,2.1051,-2.2789,6.749,-2.6848,11.1292,-2.7494,0.4496,1
+CaCl+,CaCl(+),CaCl+,aq,SSH97,DEW17.5,26.Sep.17,cal,-163100,-168607,4.5,17.5,11.3,3.9392,-0.5326,5.2847,-2.757,20.7297,0.5302,0.4675,1
+CaCl2,CaCl(0),CaCl,aq,SSH97,DEW17.5,26.Sep.17,cal,-194000,-211060,6,29.77,33.3,7.9694,3.3045,2.0673,-2.9156,23.2636,3.0296,-0.038,0
+CaCO3,CaCO3(0),CaCO3,aq,FDM+14,DEW17.03,26.Sep.17,cal,-262750,-287390,0,14.01,21.53,6.66,2.05,3.12,-2.86,32.8,-0.18,2,0
+CaSO4,CaSO4(0),CaSO4,aq,SSWS97,DEW17.10,26.Sep.17,cal,-312930,-345900,5,-25,4.7,2.415,-1.9839,6.5015,-2.697,-8.835,-8.1271,-0.038,0
+Cd+2,Cd(+2),Cd+2,aq,SH88,DEW17.2,26.Sep.17,cal,-18560,-18140,-17.4,-3.5,-15.6,0.542,-8.9202,8.5551,-2.4102,15.6572,-3.7476,1.2528,2
+Ce+3,Ce(+3),Ce+3,aq,SH88,DEW17.2,26.Sep.17,cal,-161600,-167400,-49,-38.6,-39.8,-7.6866,-2.5596,13.5864,-2.6732,4.0444,-10.8973,2.2251,3
+Ce+4,Ce(+4),Ce+4,aq,SH88,DEW17.2,26.Sep.17,cal,-121300,-137700,-100.1,0.1,-53.3,-15.6355,11.3069,17.61,-3.2464,40.2794,-3.0143,3.6964,4
+CN-,CN(-),CN-,aq,SH88,DEW17.2,26.Sep.17,cal,41200,36000,22.5,-32.7,24.2,5.0522,6.8757,3.7084,-3.0632,-1.1133,-9.6957,1.29,-1
+CO,CO(0),CO,aq,SM93,DEW17.3,26.Sep.17,cal,-28682,-28910,24.53,64.5,33.8,7.9065,3.2446,2.1175,-2.9131,40.545,10.1041,-0.3715,0
+Co+2,Co(+2),Co+2,aq,SH88,DEW17.2,26.Sep.17,cal,-13000,-13900,-27,-7.8,-24.4,-1.4299,-9.4823,9.9867,-2.387,15.2015,-4.6235,1.4769,2
+Co+3,Co(+3),Co+3,aq,SH88,DEW17.2,26.Sep.17,cal,32000,22000,-73,-32.3,-43.9,-8.7545,-1.7764,14.2439,-2.7056,12.2499,-9.614,2.715,3
+CO2,CO2(0),CO2,aq,FDM+14,DEW17.03,26.Sep.17,cal,-92250,-98900,28.1,52.05,32.78,7.79,3.14,2.21,-2.91,37,6.5,-0.2,0
+CO3-2,CO3(-2),CO3-2,aq,FDM+14,DEW17.03,26.Sep.17,cal,-126191,-161385,-12.95,-65.02,-5.01,5.8,5,-2,-10.8,18,-20,4.6,-2
+Cr+2,Cr(+2),Cr+2,aq,SSWS97,DEW17.2,26.Sep.17,cal,-39400,-39000,-24.2,-7.3,-22.3,-0.9561,-9.3472,9.6428,-2.3926,15.0507,-4.5216,1.4287,2
+Cr+3,Cr(+3),Cr+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-49300,-60000,-77,-22.9,-40,-7.2905,-2.8502,13.3424,-2.6612,17.9917,-7.6993,2.7403,3
+Cr2O7-2,Cr2O7(-2),Cr2O7-2,aq,SSWS97,DEW17.2,26.Sep.17,cal,-311000,-356200,62.6,-20.4,73,16.7844,11.6973,-4.9699,-3.2626,15.0819,-7.19,2.2654,-2
+CrO4-2,CrO4(-2),CrO4-2,aq,SSWS97,DEW17.2,26.Sep.17,cal,-174800,-210930,13.8,-62.6,19.8,10.0393,-6.2133,1.6595,-2.5221,-2.8604,-15.7863,3.0024,-2
+Cu+,Cu(+),Cu+,aq,SSWS97,DEW17.2,26.Sep.17,cal,11950,17132,9.7,13.7,-8,1.2958,-7.2006,7.8447,-2.4813,17.283,-0.2439,0.3351,1
+Cu+2,Cu(+2),Cu+2,aq,SSWS97,DEW17.2,26.Sep.17,cal,15675,15700,-23.2,-2.23,-24.6,-1.4776,-9.4959,10.0214,-2.3864,18.4677,-3.4883,1.4769,2
+diglycine,DIGLYCINE,C4H8O3N2,aq,LRB09,DEW17.11,26.Sep.17,cal,-119100,0,74.3,27.86,76.31,15.81,10.77,-4.19,-3.22,41.1,-11.5,-1.1,0
+diketopiperazine,DKP,C4H6O2N2,aq,LRB09,DEW17.12,26.Sep.17,cal,-62500,0,63,17,76.73,16.1966,11.1376,-4.5007,-3.2394,11.7979,0.4283,-0.4702,0
+Dy+3,Dy(+3),Dy+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-158700,-166500,-55.2,-31.7,-40.7,-7.8787,-2.4188,13.7046,-2.679,9.5076,-9.4919,2.3792,3
+Er+3,Er(+3),Er+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-159900,-168500,-58.3,-34.3,-43,-8.699,-1.8171,14.2097,-2.7039,8.2815,-10.0215,2.4115,3
+ethane,ETHANE,C2H6,aq,SH90,DEW17.3,26.Sep.17,cal,-3886,-24650,26.81,88.3,51.2,11.2692,6.4463,-0.567,-3.0455,54.1755,14.9521,-0.406,0
+ethanol,ETHANOL,C2H5OH,aq,PS01,DEW17.02,26.Sep.17,cal,-43330,-68650,35.9,62.2,55.08,9.2333,9.9581,12.1445,-3.1906,60.0175,0.1507,-0.2037,0
+ethylene,ETHYLENE,C2H4,aq,PS01,DEW17.3,26.Sep.17,cal,19450,8570,28.6,66.9,46,10.3054,5.5286,0.2024,-3.0076,42.5181,10.5929,-0.31,0
+Eu+2,Eu(+2),Eu+2,aq,SSWS97,DEW17.2,26.Sep.17,cal,-129200,-126150,-2.4,-11.4,-15.3,0.5193,-8.9267,8.5716,-2.41,9.5541,-5.3568,1.0929,2
+Eu+3,Eu(+3),Eu+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-137300,-144700,-53,-36.6,-41.3,-8.1578,-2.214,13.8765,-2.6875,6.0547,-10.49,2.3161,3
+Fe(Ac)+,Fe(CH3COO)(+),Fe(CH3COO)+,aq,SSWS97,DEW17.6,26.Sep.17,cal,-111900,-139060,-1.5,81.2,25.2,6.6906,2.087,3.0882,-2.8653,59.0576,13.5058,0.5756,1
+Fe(Ac)2,Fe(CH3COO)2(0),Fe(CH3COO)2,aq,SSWS97,DEW17.6,26.Sep.17,cal,-201800,-259100,11.53,184.2,66.9,14.4948,9.5174,-3.1421,-3.1724,113.7691,34.4869,-0.038,0
+FeOH+,FeOH(+),FeOH+,aq,SSWS97,DEW17.13,26.Sep.17,cal,-65850,0,-10,15,2,2.2461,-2.1446,6.6364,-2.6903,21.4354,0.0209,0.70314,1
+Fe+2,Fe(+2),Fe+2,aq,SSWS97,DEW17.2,26.Sep.17,cal,-21870,,-25.3,-7.9,-22.2,-0.9153,-9.3356,9.6131,-2.3931,14.9634,-4.6439,1.4574,2
+Fe+3,Fe(+3),Fe+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-4120,-11850,-66.3,-18.6,-37,-6.3271,-3.5568,12.7493,-2.632,19.0461,-6.8234,2.5812,3
+FeCl+,FeCl(+),FeCl+,aq,SSWS97,DEW17.6,26.Sep.17,cal,-53030,-61260,-10.06,20.57,5.8,2.9827,-1.4433,6.0483,-2.7193,24.6737,1.1555,0.7003,1
+FeCl+2,FeCl(++),FeCl+2,aq,TDDZ00,DEW17.14,26.Sep.17,cal,-37573,-50875,-28.7,3.3,-19,-1.4537,-5.6672,9.59,-2.5447,21.8511,-2.3624,1.4925,2
+FeCl2,FeCl2(0),FeCl2,aq,SSWS97,DEW17.6,26.Sep.17,cal,-73480,-78490,43,28.14,28.4,7.0177,2.3984,2.827,-2.8782,22.3083,2.6975,-0.038,0
+FeCl2+,FeCl2(+),FeCl2+,aq,LEB+06,DEW17.15,26.Sep.17,cal,-69429,-91824,-2,5.1,8,3.3538,-1.09,5.7521,-2.7339,14.5275,-1.9957,0.5831,1
+FeCl3,FeCl3(0),FeCl3,aq,LEB+06,DEW17.16,26.Sep.17,cal,-99307,-134400,18,-28,37.4,8.9278,4.217,1.3022,-2.9533,-7.4793,-8.7382,0.3,0
+FeCl4-,FeCl4(-),FeCl4-,aq,LEB+06,DEW17.15,26.Sep.17,cal,-127917,-180057,26,-95.9,55.8,12.9503,8.0468,-1.9091,-3.1117,-38.6469,-22.5694,1.2363,-1
+FeO,FeO(0),FeO,aq,SSWS97,DEW17.13,26.Sep.17,cal,-50720,,-10,0,3,2.2469,-2.1438,6.6357,-2.6904,8.9305,-3.0346,0.3,0
+formate,FORMATE,HCOO-,aq,SH90,DEW17.101,26.Sep.17,cal,-83862,-101680,21.7,-20.18,26.16,5.2684,7.6836,3.4706,-3.0966,17,-12.4,1.3003,-1
+"formic acid",FORMIC-ACID,HCOOH,aq,SH90,DEW17.3,26.Sep.17,cal,-88982,-101680,38.9,19.02,34.69,8.0925,3.4217,1.9691,-2.9205,22.1924,-3.1196,-0.3442,0
+Ga+3,Ga(+3),Ga+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-38000,-50600,-79,-30.8,-44.9,-9.1126,-1.5137,14.4643,-2.7164,13.2449,-9.3085,2.7276,3
+Gd+3,Gd(+3),Gd+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-158600,-164200,-49.2,-35.9,-40.4,-7.8159,-2.4648,13.666,-2.6771,6.5607,-10.3474,2.3265,3
+glutamate,GLUTAMATE,C5H8NO4-,aq,ZW07,DEW17.17,26.Sep.17,cal,-167258,0,44.4,11.11,79.71,17.46,12.34,-5.51,-3.29,50,-14.8,0.9569,-1
+"glutamic acid",GLUTAMIC,C5H9NO4,aq,HDM+94,DEW17.18,26.Sep.17,cal,-173050,-234820,61.2,44.02,90.16,19.3,13.3,-4.4,-3.33,69.2,-9.22,0.7,0
+glutamine,GLUTAMINE,C5H10N2O3,aq,SH90,DEW17.3,26.Sep.17,cal,-126280,-191860,62.41,43.78,93.72,19.8075,14.5756,-7.3834,-3.3816,33.4802,5.8825,0.18,0
+H-glutarate,GLUTARATE-,C5H7O4-,aq,SH90,DEW17.3,26.Sep.17,cal,-170860,-223570,52.9,20.11,85.91,18.6019,13.4277,-6.4209,-3.3341,25.5789,1.0616,0.8279,-1
+"glutaric acid",GLUTARIC-ACID,C5H8O4,aq,SH90,DEW17.3,26.Sep.17,cal,-176780,-223440,73.2,64.11,99.09,20.7169,15.4414,-8.1094,-3.4173,42.815,10.0236,-0.1,0
+glycine,GLYCINE,C2H5NO2,aq,PS01,DEW17.01,26.Sep.17,cal,-90950,-124780,39.3,9.49,43.29,10.8,1.3,7.6,-3.5,28,-8.2,0.2,0
+glycolate,GLYCOLATE,C2H3O3-,aq,SH90,DEW17.3,26.Sep.17,cal,-121170,-154700,26.2,6.5,39.85,6.7382,13.1933,1.8519,-3.3244,21.339,-1.7106,1.2334,-1
+"glycolic acid",GLYCOLIC-ACID,C2H4O3,aq,SH90,DEW17.3,26.Sep.17,cal,-126400,-154890,43.1,45.5,51.75,11.4261,6.5956,-0.6923,-3.0517,30.0532,6.2338,-0.3017,0
+H-succinate,H-SUCCINATE,C4H5O4-,aq,SH90,DEW17.3,26.Sep.17,cal,-172060,-217350,45.2,9.3,69.99,15.5663,10.5375,-3.9975,-3.2146,20.3194,-1.1402,0.9446,-1
+H2AsO3-,H2AsO3(-),H2AsO3-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-140330,-170840,26.4,-2.9,26.4,7.2377,2.6079,2.6514,-2.8868,15.8033,-3.6254,1.2305,-1
+H2AsO4-,H2AsO4(-),H2AsO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-180010,-217390,28,-0.7,35.1,8.9154,4.2052,1.3121,-2.9528,16.8623,-3.1772,1.2055,-1
+H2P2O7-2,H2P2O7(-2),H2P2O7-2,aq,SSWS97,DEW17.3,26.Sep.17,cal,-480400,-544600,39,-20.3,52.4,12.9546,8.0509,-1.9125,-3.1118,18.424,-7.1696,2.6218,-2
+H2PO4-,H2PO4(-),H2PO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-270140,-309820,21.6,-7,31.3,8.2228,3.5458,1.865,-2.9256,14.0436,-4.4605,1.3003,-1
+H2S,H2S(0),H2S,aq,SHS89,DEW17.3,26.Sep.17,cal,-6673,-9001,30,42.83,34.92,8.2543,3.5757,1.8399,-2.9268,30.3482,5.6905,-0.1,0
+H2VO4-,H2VO4(-),H2VO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-244000,-280600,29,0.6,29,7.7232,3.0701,2.2638,-2.9059,17.4795,-2.9124,1.1898,-1
+H3P2O7-,H3P2O7(-),H3P2O7-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-483600,-544100,51,29.6,51,11.8361,6.986,-1.0196,-3.0678,31.4073,2.9948,0.8568,-1
+H3PO4,H3PO4(0),H3PO4,aq,SHS89,DEW17.3,26.Sep.17,cal,-273100,-307920,38,23.6,48.1,10.7564,5.958,-0.1576,-3.0253,17.9708,1.7727,-0.22,0
HAlO2,HAlO2(0),HAlO2,aq,PH95,SHA14.1,26.Sep.17,cal,-207500,-230730,-6.5,47.5,13,4.285,-0.2034,5.0087,-2.7706,38.6109,6.6412,0.5,0
-HAsO4-2,HAsO4(-2),HAsO4-2,aq,DEW17,NA,26.Sep.17,cal,-170790,-216620,-0.4,-51.8,13,5.5895,1.0386,3.9672,-2.8219,5.471,-13.5863,3.2197,-2
-HCl,HCl(0),HCl,aq,DEW17,NA,26.Sep.17,cal,-30410,-42054,3.2,39,15,4.3376,-0.1533,4.9666,-2.7727,27.1804,4.9097,-0.2,0
-HCN,HCN(0),HCN,aq,DEW17,NA,26.Sep.17,cal,28600,26500,29.8,40.7,45.9,10.3813,5.6008,0.1418,-3.0105,28.9939,5.256,-0.1113,0
-HCO3-,HCO3(-),HCO3-,aq,FDM+14,NA,26.Sep.17,cal,-140282,-164898,23.53,-8.45,24.23,7.65,0.92,0.6,-2.82,11,-3.8,1.2733,-1
-HCrO4-,HCrO4(-),HCrO4-,aq,DEW17,NA,26.Sep.17,cal,-182800,-209900,44,20.4,44,10.5272,5.7398,0.0253,-3.0163,26.9871,1.121,0.9622,-1
-hexane,HEXANE,C6H14,aq,DEW17,NA,26.Sep.17,cal,4420,-47400,53.2,159.07,114,23.4349,18.0292,-10.2792,-3.5243,108,23,-0.47,0
-HFeO2-,HFeO2(-),HFeO2-,aq,DEW17,NA,26.Sep.17,cal,-94400,,-15,22,20,6.295,1.7103,3.404,-2.8497,36.1614,1.4468,1.85626,-1
-Hg+2,Hg(+2),Hg+2,aq,DEW17,NA,26.Sep.17,cal,39360,40670,-8.68,2.2,-19.6,-0.4745,-9.2099,9.293,-2.3983,18.0614,-2.5866,1.1512,2
-Hg2+2,Hg2(+2),Hg2+2,aq,DEW17,NA,26.Sep.17,cal,36710,39870,-15.66,17.1,14.4,4.7103,0.2016,4.6691,-2.7873,23.7435,0.4486,0.8201,2
-Ho+3,Ho(+3),Ho+3,aq,DEW17,NA,26.Sep.17,cal,-161400,-169000,-54.3,-33.3,-41.6,-8.2013,-2.1821,13.9033,-2.6888,8.6686,-9.8178,2.3899,3
-HO2-,HO2(-),HO2-,aq,DEW17,NA,26.Sep.17,cal,-16100,-38320,5.7,-30.2,5.7,3.3684,-1.0761,5.7404,-2.7345,2.7006,-9.1863,1.5449,-1
-HPO4-2,HPO4(-2),HPO4-2,aq,DEW17,NA,26.Sep.17,cal,-260310,-308815,-8,-58.3,5.4,4.1694,-0.3134,5.1009,-2.766,2.7358,-14.9104,3.3363,-2
-HS-,HS(-),HS-,aq,DEW17,NA,26.Sep.17,cal,2860,-3850,16.3,-22.6,20.65,6.222,1.6408,3.4623,-2.8468,6.1991,-7.6376,1.441,-1
-HSe-,HSe(-),HSe-,aq,DEW17,NA,26.Sep.17,cal,10500,3800,19,-12.6,19,5.8535,1.29,3.7565,-2.8323,11.1346,-5.6013,1.3408,-1
-HSeO3-,HSeO3(-),HSeO3-,aq,DEW17,NA,26.Sep.17,cal,-98340,-122980,32.3,4.9,32.3,8.3403,3.6577,1.7712,-2.9302,19.543,-2.0364,1.1402,-1
-HSeO4-,HSeO4(-),HSeO4-,aq,DEW17,NA,26.Sep.17,cal,-108100,-139000,35.7,-41.9,31,8.063,3.3936,1.9926,-2.9193,-8.3614,-11.5697,1.0885,-1
-HSiO3-,HSiO3(-),HSiO3-,aq,DEW17,NA,26.Sep.17,cal,-242855,-273872,-2,10.5,18.2,5.851,1.2876,3.7585,-2.8322,27.608,-0.8958,1.6594,-1
-HSO3-,HSO3(-),HSO3-,aq,DEW17,NA,26.Sep.17,cal,-126130,-149670,33.4,-1.4,33.3,6.7014,8.5816,2.3771,-3.1338,15.6949,-3.3198,1.1233,-1
-HSO4-,HSO4(-),HSO4-,aq,DEW17,NA,26.Sep.17,cal,-180630,-212500,30,5.3,35.2,8.9201,4.2097,1.3083,-2.953,20.096,-1.955,1.1748,-1
-HSO5-,HSO5(-),HSO5-,aq,DEW17,NA,26.Sep.17,cal,-152370,-185380,50.7,29.2,50.7,11.7798,6.9324,-0.9747,-3.0656,31.2126,2.9134,0.8611,-1
-HVO4-2,HVO4(-2),HVO4-2,aq,DEW17,NA,26.Sep.17,cal,-233000,-277000,4,-48.3,17.4,6.4118,1.8216,3.3107,-2.8543,6.9054,-12.8732,3.1527,-2
-In+3,In(+3),In+3,aq,DEW17,NA,26.Sep.17,cal,-23400,-25000,-63,-34.9,-42.2,-8.3223,-2.0934,13.9778,-2.6925,8.7478,-10.1438,2.5003,3
-isobutane,Isobutane,C4H10,aq,DEW17,NA,26.Sep.17,cal,36,-36230,40.02,133.92,82.81,17.46,12.34,-5.51,-3.29,92.3,19.12,-0.3,0
-KCl,KCl(0),KCl,aq,DEW17,NA,26.Sep.17,cal,-98850,,34,-1.5,34,8.1715,3.4969,1.9059,-2.9236,6.2088,-3.3402,0.1,0
+HAsO4-2,HAsO4(-2),HAsO4-2,aq,SSWS97,DEW17.3,26.Sep.17,cal,-170790,-216620,-0.4,-51.8,13,5.5895,1.0386,3.9672,-2.8219,5.471,-13.5863,3.2197,-2
+HCl,HCl(0),HCl,aq,RS87,DEW17.19,26.Sep.17,cal,-30410,-42054,3.2,39,15,4.3376,-0.1533,4.9666,-2.7727,27.1804,4.9097,-0.2,0
+HCN,HCN(0),HCN,aq,SM93,DEW17.3,26.Sep.17,cal,28600,26500,29.8,40.7,45.9,10.3813,5.6008,0.1418,-3.0105,28.9939,5.256,-0.1113,0
+HCO3-,HCO3(-),HCO3-,aq,FDM+14,DEW17.03,26.Sep.17,cal,-140282,-164898,23.53,-8.45,24.23,7.65,0.92,0.6,-2.82,11,-3.8,1.2733,-1
+HCrO4-,HCrO4(-),HCrO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-182800,-209900,44,20.4,44,10.5272,5.7398,0.0253,-3.0163,26.9871,1.121,0.9622,-1
+hexane,HEXANE,C6H14,aq,PS01,DEW17.3,26.Sep.17,cal,4420,-47400,53.2,159.07,114,23.4349,18.0292,-10.2792,-3.5243,108,23,-0.47,0
+HFeO2-,HFeO2(-),HFeO2-,aq,SSWS97,DEW17.13,26.Sep.17,cal,-94400,,-15,22,20,6.295,1.7103,3.404,-2.8497,36.1614,1.4468,1.85626,-1
+Hg+2,Hg(+2),Hg+2,aq,SSWS97,DEW17.2,26.Sep.17,cal,39360,40670,-8.68,2.2,-19.6,-0.4745,-9.2099,9.293,-2.3983,18.0614,-2.5866,1.1512,2
+Hg2+2,Hg2(+2),Hg2+2,aq,SSWS97,DEW17.3,26.Sep.17,cal,36710,39870,-15.66,17.1,14.4,4.7103,0.2016,4.6691,-2.7873,23.7435,0.4486,0.8201,2
+Ho+3,Ho(+3),Ho+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-161400,-169000,-54.3,-33.3,-41.6,-8.2013,-2.1821,13.9033,-2.6888,8.6686,-9.8178,2.3899,3
+HO2-,HO2(-),HO2-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-16100,-38320,5.7,-30.2,5.7,3.3684,-1.0761,5.7404,-2.7345,2.7006,-9.1863,1.5449,-1
+HPO4-2,HPO4(-2),HPO4-2,aq,SSWS97,DEW17.3,26.Sep.17,cal,-260310,-308815,-8,-58.3,5.4,4.1694,-0.3134,5.1009,-2.766,2.7358,-14.9104,3.3363,-2
+HS-,HS(-),HS-,aq,SSWS97,DEW17.3,26.Sep.17,cal,2860,-3850,16.3,-22.6,20.65,6.222,1.6408,3.4623,-2.8468,6.1991,-7.6376,1.441,-1
+HSe-,HSe(-),HSe-,aq,SSWS97,DEW17.3,26.Sep.17,cal,10500,3800,19,-12.6,19,5.8535,1.29,3.7565,-2.8323,11.1346,-5.6013,1.3408,-1
+HSeO3-,HSeO3(-),HSeO3-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-98340,-122980,32.3,4.9,32.3,8.3403,3.6577,1.7712,-2.9302,19.543,-2.0364,1.1402,-1
+HSeO4-,HSeO4(-),HSeO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-108100,-139000,35.7,-41.9,31,8.063,3.3936,1.9926,-2.9193,-8.3614,-11.5697,1.0885,-1
+HSiO3-,HSiO3(-),HSiO3-,aq,KUP+05,DEW17.20,26.Sep.17,cal,-242855,-273872,-2,10.5,18.2,5.851,1.2876,3.7585,-2.8322,27.608,-0.8958,1.6594,-1
+HSO3-,HSO3(-),HSO3-,aq,SSWS97,DEW17.21,26.Sep.17,cal,-126130,-149670,33.4,-1.4,33.3,6.7014,8.5816,2.3771,-3.1338,15.6949,-3.3198,1.1233,-1
+HSO4-,HSO4(-),HSO4-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-180630,-212500,30,5.3,35.2,8.9201,4.2097,1.3083,-2.953,20.096,-1.955,1.1748,-1
+HSO5-,HSO5(-),HSO5-,aq,SSWS97,DEW17.3,26.Sep.17,cal,-152370,-185380,50.7,29.2,50.7,11.7798,6.9324,-0.9747,-3.0656,31.2126,2.9134,0.8611,-1
+HVO4-2,HVO4(-2),HVO4-2,aq,SSWS97,DEW17.3,26.Sep.17,cal,-233000,-277000,4,-48.3,17.4,6.4118,1.8216,3.3107,-2.8543,6.9054,-12.8732,3.1527,-2
+In+3,In(+3),In+3,aq,SSWS97,DEW17.2,26.Sep.17,cal,-23400,-25000,-63,-34.9,-42.2,-8.3223,-2.0934,13.9778,-2.6925,8.7478,-10.1438,2.5003,3
+isobutane,Isobutane,C4H10,aq,SH90,DEW17.22,26.Sep.17,cal,36,-36230,40.02,133.92,82.81,17.46,12.34,-5.51,-3.29,92.3,19.12,-0.3,0
+KCl,KCl(0),KCl,aq,OH88,DEW17.23,26.Sep.17,cal,-98850,,34,-1.5,34,8.1715,3.4969,1.9059,-2.9236,6.2088,-3.3402,0.1,0
KOH,KOH(0),KOH,aq,HP97,SHA14.3,26.Sep.17,cal,-102800,-180000,36.3,-6.5,20.3,5.6931,1.1373,3.8845,-2.826,6.7794,-4.3587,0.48,0
-Kr,Kr(0),Kr,aq,DEW17,NA,26.Sep.17,cal,3554,-3650,15.06,57.6,33.5,6.2721,7.5333,2.7891,-3.0904,37.8226,8.6985,-0.2281,0
-KSO4-,KSO4(-),KSO4-,aq,DEW17,NA,26.Sep.17,cal,-246570,-276980,34,-22,50.7,11.8943,7.0414,-1.066,-3.0701,3.4037,-7.516,1.0996,-1
-La+3,La(+3),La+3,aq,DEW17,NA,26.Sep.17,cal,-164000,-169600,-52,-37.2,-38.6,-7.3053,-2.8394,13.3515,-2.6616,4.2393,-10.6121,2.1572,3
-lactate,LACTATE,C3H5O3-,aq,DEW17,NA,26.Sep.17,cal,-122530,-164070,31.9,26.7,56.25,8.4977,19.7863,-0.0855,-3.597,32.3804,2.4041,1.1469,-1
-"lactic acid",LACTIC-ACID,C3H6O3,aq,DEW17,NA,26.Sep.17,cal,-127800,-164000,49.8,66.7,69.38,14.8713,9.8758,-3.4427,-3.1873,42.8872,10.5521,-0.2572,0
-leucine,LEUCINE,C6H13NO2,aq,DEW17,NA,26.Sep.17,cal,-82000,-151070,51.5,95.1,107.57,22.2006,16.854,-9.2938,-3.4757,57.8483,16.3373,-0.4399,0
-Lu+3,Lu(+3),Lu+3,aq,DEW17,NA,26.Sep.17,cal,-159400,-167900,-63.1,-32.8,-45,-9.398,-1.3044,14.6401,-2.7251,9.5649,-9.716,2.4554,3
-CH4,,CH4,aq,PS01.1,DEW17.101,26.Sep.17,cal,-8234,-21010,20.99,57.69,36,8.32,3.64,1.79,-2.93,40.9,6.45,-0.4,0
-methanol,METHANOL,CH3OH,aq,DEW17,NA,26.Sep.17,cal,-42050,-58870,31.6,37.73,38.69,8.4,4.1,-0.24,-1.43,34.4,0.96,-0.15,0
-Mg(HCO3)+,Mg(HCO3)(+),Mg(HCO3)+,aq,DEW17,NA,26.Sep.17,cal,-250280,-275750,-5,59,25.9,6.8514,2.2401,2.9598,-2.8716,46.5246,8.9837,0.62742,1
-Mg(HSiO3)+,Mg(HSiO3)(+),Mg(HSiO3)+,aq,DEW17,NA,26.Sep.17,cal,-353025,-385700,-23.78,37.82,2.5,2.4433,-1.9569,6.4789,-2.6981,36.7319,4.6693,0.91182432,1
-MgCl+,MgCl(+),MgCl+,aq,DEW17,DEW17.102,26.Sep.17,cal,-139700,-150933,-19,25,1.25,3.21,-4.92,6.27,-2.58,28.6,2.058,0.8449,1
-MgCO3,MgCO3(0),MgCO3,aq,DEW17,NA,26.Sep.17,cal,-238760,-270570,-24,-24.8,17.9,5.1407,0.6113,4.3256,-2.8043,-5.6039,-8.0864,0.3,0
-MgOH+,MgOH(+),MgOH+,aq,DEW17,NA,26.Sep.17,cal,-149225,-152955,-17,40,-7,0.5662,-3.7441,7.9775,-2.6242,37.393,5.1134,0.8449,1
-MgSO4,MgSO4,MgSO4,aq,DEW17,NA,26.Sep.17,cal,-289449,-327449,-1,20,35,8.3417,3.659,1.77,-2.9303,18.3485,1.0394,0.05,0
-Mn+2,Mn(+2),Mn+2,aq,DEW17,NA,26.Sep.17,cal,-54500,-52724,-17.6,-4.1,-17.1,-1.1288,-5.3578,9.3306,-2.5575,16.6673,-3.8698,1.4006,2
-MnCl+,MnCl(+),MnCl+,aq,DEW17,NA,26.Sep.17,cal,-86290,-88280,12,24.63,6.3,2.9207,-1.5023,6.0978,-2.7169,23.9969,1.9824,0.3686,1
-MnO4-,MnO4(-),MnO4-,aq,DEW17,NA,26.Sep.17,cal,-106900,-129400,45.7,-1.8,42,6.8923,13.7707,1.6822,-3.3483,13.7425,-3.4012,0.9368,-1
-MnO4-2,MnO4(-2),MnO4-2,aq,DEW17,NA,26.Sep.17,cal,-119700,-156000,14,-59.3,27.4,11.8564,-5.6954,0.3402,-2.5436,-0.9265,-15.1141,3.0024,-2
-MnSO4,MnSO4(0),MnSO4,aq,DEW17,NA,26.Sep.17,cal,-235640,-266750,5,-21.48,29.2,7.1731,2.5464,2.703,-2.8843,-6.7719,-7.41,-0.038,0
-MoO4-2,MoO4(-2),MoO4-2,aq,DEW17,NA,26.Sep.17,cal,-199900,-238500,6.5,-47.5,30.4,12.64,-5.4721,-0.2288,-2.5528,7.0223,-12.7103,3.1145,-2
-N2,N2(0),N2,aq,DEW17,NA,26.Sep.17,cal,4347,-2495,22.9,56,33.3,7.8213,3.1635,2.1855,-2.9098,35.7911,8.3726,-0.3468,0
-Na(Ac),NaCH3COO(0),NaCH3COO,aq,DEW17,NA,26.Sep.17,cal,-150720,-173540,34.2,75.1,49,11.1806,6.3619,-0.4963,-3.042,52.9437,12.2633,0.3,0
-Na(Ac)2-,Na(CH3COO)2(-1),Na(CH3COO)2-1,aq,DEW17,NA,26.Sep.17,cal,-238470,-292400,44,170,103.2,22.0247,16.6865,-9.1534,-3.4688,114.6669,31.5944,0.962764,-1
-NaCl,NaCl(0),NaCl,aq,DEW17,DEW17.103,26.Sep.17,cal,-92910,-96120,28,8.51,24,6.1632,1.5849,3.5092,-2.8445,10.8029,-1.3014,-0.038,0
-NaCO3-,NaCO3(-),NaCO3-,aq,DEW17,NA,26.Sep.17,cal,-190562,,8,-1,27.8,7.6427,2.9935,2.3281,-2.9028,19.473,-3.2383,1.507948,-1
-NaHCO3,NaHCO3(0),NaHCO3,aq,DEW17,NA,26.Sep.17,cal,-203088,-150000,31,73.9,36.72,9.61,2.56,1.01,-2.88,55.5,12,0.65,0
-NaHSiO3,NaHSiO3(0),NaHSiO3,aq,DEW17,NA,26.Sep.17,cal,-307140,-333044,19,2.34,18.7,5.1339,0.6048,4.3309,-2.804,7.188,-2.5579,-0.038,0
-NaOH,NaOH(0),NaOH,aq,DEW17,NA,26.Sep.17,cal,-100900,,6.5,42,12,3.9469,-0.5253,5.2786,-2.7573,32.6238,5.5208,0.2,0
-Nd+3,Nd(+3),Nd+3,aq,DEW17,NA,26.Sep.17,cal,-160600,-166500,-49.5,-43.2,-43.1,-8.8788,-1.6852,14.3204,-2.7093,1.6237,-11.8344,2.255,3
-NH3,NH3(0),NH3,aq,DEW17,NA,26.Sep.17,cal,-6383,-19440,25.77,18.38,24.43,6.241,1.6589,3.4471,-2.8476,16.4796,0.71,-0.05,0
-NH4+,NH4(+),NH4+,aq,DEW17,NA,26.Sep.17,cal,-18990,-31850,26.57,16.02,18.13,5.1135,0.5854,4.3472,-2.8032,16.9412,0.2294,0.1502,1
-Ni+2,Ni(+2),Ni+2,aq,DEW17,NA,26.Sep.17,cal,-10900,-12900,-30.8,-11.7,-29,-2.5121,-9.7907,10.7725,-2.3743,13.1906,-5.4179,1.5067,2
-NO2-,NO2(-),NO2-,aq,DEW17,NA,26.Sep.17,cal,-7700,-25000,29.4,-23.3,25,5.111,7.0957,3.6437,-3.0723,3.4259,-7.7808,1.1847,-1
-NO3-,NO3(-),NO3-,aq,DEW17,NA,26.Sep.17,cal,-26507,-49429,35.12,-16.08,29,5.5224,8.6374,3.1906,-3.1361,6.8564,-6.3098,1.0977,-1
-OH-,OH(-),OH-,aq,DEW17,NA,26.Sep.17,cal,-37595,-54977,-5,-19.01,-9.1,2.1,-5,1,-2.7,12.12,-7.52,1.72,-1
-Pb+2,Pb(+2),Pb+2,aq,DEW17,NA,26.Sep.17,cal,-5710,220,4.2,-12.7,-15.6,0.4392,-8.9495,8.6297,-2.409,8.6624,-5.6216,1.0788,2
-PbCl+,PbCl(+),PbCl+,aq,DEW17,NA,26.Sep.17,cal,-39050,-38630,28,4.9,13.8,4.2619,-0.2253,5.0271,-2.7697,10.2183,-2.0365,0.1281,1
[TRUNCATED]
To get the complete diff run:
svnlook diff /svnroot/chnosz -r 534
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