[CHNOSZ-commits] r169 - in pkg/CHNOSZ: . R data inst inst/extdata inst/extdata/OBIGT man vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Wed Feb 22 14:06:36 CET 2017
Author: jedick
Date: 2017-02-22 14:06:35 +0100 (Wed, 22 Feb 2017)
New Revision: 169
Added:
pkg/CHNOSZ/inst/extdata/OBIGT/
pkg/CHNOSZ/inst/extdata/OBIGT/Amend_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/CHNOSZ_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/CHNOSZ_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Canovas_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Dick_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/H2O_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_liq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_liq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Schulte_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Wagman_gas.csv
Removed:
pkg/CHNOSZ/data/OBIGT.csv
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/R/examples.R
pkg/CHNOSZ/data/thermo.R
pkg/CHNOSZ/inst/NEWS
pkg/CHNOSZ/man/CHNOSZ-package.Rd
pkg/CHNOSZ/man/data.Rd
pkg/CHNOSZ/man/extdata.Rd
pkg/CHNOSZ/man/util.plot.Rd
pkg/CHNOSZ/man/wjd.Rd
pkg/CHNOSZ/vignettes/anintro.Rmd
Log:
split OBIGT.csv into multiple files
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2017-02-21 14:34:27 UTC (rev 168)
+++ pkg/CHNOSZ/DESCRIPTION 2017-02-22 13:06:35 UTC (rev 169)
@@ -1,6 +1,6 @@
-Date: 2017-02-21
+Date: 2017-02-22
Package: CHNOSZ
-Version: 1.0.8-58
+Version: 1.0.8-59
Title: Chemical Thermodynamics and Activity Diagrams
Author: Jeffrey Dick
Maintainer: Jeffrey Dick <j3ffdick at gmail.com>
Modified: pkg/CHNOSZ/R/examples.R
===================================================================
--- pkg/CHNOSZ/R/examples.R 2017-02-21 14:34:27 UTC (rev 168)
+++ pkg/CHNOSZ/R/examples.R 2017-02-22 13:06:35 UTC (rev 169)
@@ -24,8 +24,6 @@
if(plot.it) dev.off()
}
if(is.character(do.png)) dev.off()
- # at the end we attempt to restore the old par() (active as of the first call of thermo.plot.new)
- par(get("thermo")$opar)
cat("Time elapsed: ", proc.time() - .ptime, "\n")
}
Deleted: pkg/CHNOSZ/data/OBIGT.csv
===================================================================
--- pkg/CHNOSZ/data/OBIGT.csv 2017-02-21 14:34:27 UTC (rev 168)
+++ pkg/CHNOSZ/data/OBIGT.csv 2017-02-22 13:06:35 UTC (rev 169)
@@ -1,3395 +0,0 @@
-name,abbrv,formula,state,ref1,ref2,date,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
-water,NA,H2O,liq,NA,NA,25.Oct.06,-56687.711481,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
-e-,NA,Z0-1,aq,NA,NA,28.Oct.06,0,0,15.6166,0,0,0,0,0,0,0,0,0,0
-H+,H+,H+,aq,SH88,NA,06.Nov.97,0,0,0,0,0,0,0,0,0,0,0,0,0
-Li+,Li+,Li+,aq,SH88,NA,06.Nov.97,-69933,-66552,2.7,14.2,-0.87,-0.0237,-0.069,11.58,-2.7761,19.2,-0.24,0.4862,1
-Na+,Na+,Na+,aq,SH88,NA,06.Nov.97,-62591,-57433,13.96,9.06,-1.11,1.839,-2.285,3.256,-2.726,18.18,-2.981,0.3306,1
-K+,K+,K+,aq,SH88,NA,06.Nov.97,-67510,-60270,24.15,1.98,9.06,3.559,-1.473,5.435,-2.712,7.4,-1.791,0.1927,1
-Rb+,Rb+,Rb+,aq,SH88,NA,06.Nov.97,-67800,-60020,28.8,-3,14.26,4.2913,-0.9041,7.407,-2.7416,5.7923,-3.6457,0.1502,1
-Cs+,Cs+,Cs+,aq,SH88,NA,06.Nov.97,-69710,-61670,31.75,-6.29,21.42,6.1475,-0.1309,4.2094,-2.7736,6.27,-5.736,0.0974,1
-Mg+2,Mg+2,Mg+2,aq,SH88,NA,06.Nov.97,-108505,-111367,-33,-5.34,-21.55,-0.8217,-8.599,8.39,-2.39,20.8,-5.892,1.5372,2
-Ca+2,Ca+2,Ca+2,aq,SH88,NA,06.Nov.97,-132120,-129800,-13.5,-7.53,-18.06,-0.1947,-7.252,5.2966,-2.4792,9,-2.522,1.2366,2
-Sr+2,Sr+2,Sr+2,aq,SH88,NA,06.Nov.97,-134760,-131670,-7.53,-10.05,-17.41,0.7071,-10.1508,7.0027,-2.3594,10.7452,-5.0818,1.1363,2
-Ba+2,Ba+2,Ba+2,aq,SH88,NA,06.Nov.97,-134030,-128500,2.3,-12.3,-12.6,2.7383,-10.0565,-0.047,-2.3633,3.8,-3.45,0.985,2
-HCO3-,HCO3-,HCO3-,aq,SH88,NA,06.Nov.97,-140282,-164898,23.53,-8.46,24.6,7.5621,1.1505,1.2346,-2.8266,12.9395,-4.7579,1.2733,-1
-CO3-2,CO3-2,CO3-2,aq,SH88,NA,06.Nov.97,-126191,-161385,-11.95,-69.5,-5.02,2.8524,-3.9844,6.4142,-2.6143,-3.3206,-17.1917,3.3914,-2
-Pb+2,Pb+2,Pb+2,aq,SH88,NA,06.Nov.97,-5710,220,4.2,-12.7,-15.6,-0.0051,-7.7939,8.8134,-2.4568,8.6624,-5.6216,1.0788,2
-NO3-,NO3-,NO3-,aq,SH88,NA,06.Nov.97,-26507,-49429,35.12,-16.4,29,7.3161,6.7824,-4.6838,-3.0594,7.7,-6.725,1.0977,-1
-NO2-,NO2-,NO2-,aq,SH88,NA,06.Nov.97,-7700,-25000,29.4,-23.3,25,5.5864,5.859,3.4472,-3.0212,3.426,-7.7808,1.1847,-1
-NH4+,NH4+,NH4+,aq,SH88,NA,06.Nov.97,-18990,-31850,26.57,15.74,18.13,3.8763,2.3448,8.5605,-2.8759,17.45,-0.021,0.1502,1
-H2PO4-,H2PO4-,H2PO4-,aq,SH88,NA,06.Nov.97,-270140,-309820,21.6,-7,31.3,6.4875,8.0594,2.5823,-3.1122,14.0435,-4.4605,1.3003,-1
-HPO4-2,HPO4-2,HPO4-2,aq,SH88,NA,06.Nov.97,-260310,-308815,-8,-58.3,5.4,3.6315,1.0857,5.3233,-2.8239,2.7357,-14.9103,3.3363,-2
-OH-,OH-,OH-,aq,SH88,NA,06.Nov.97,-37595,-54977,-2.56,-32.79,-4.18,1.2527,0.0738,1.8423,-2.7821,4.15,-10.346,1.7246,-1
-HS-,HS-,HS-,aq,SH88,NA,07.Nov.97,2860,-3850,16.3,-22.17,20.65,5.0119,4.9799,3.4765,-2.9849,3.42,-6.27,1.441,-1
-HSO3-,HSO3-,HSO3-,aq,SH88,NA,07.Nov.97,-126130,-149670,33.4,-1.4,33.3,6.7014,8.5816,2.3771,-3.1338,15.6949,-3.3198,1.1233,-1
-SO4-2,SO4-2,SO4-2,aq,SH88,NA,07.Nov.97,-177930,-217400,4.5,-64.38,13.88,8.3014,-1.9846,-6.2122,-2.697,1.64,-17.998,3.1463,-2
-HSO4-,HSO4-,HSO4-,aq,SH88,NA,07.Nov.97,-180630,-212500,30,5.3,35.2,6.9788,9.259,2.1108,-3.1618,20.0961,-1.955,1.1748,-1
-S2O3-2,S2O3-2,S2O3-2,aq,SH88,NA,07.Nov.97,-124900,-155000,16,-57.3,28.5,6.6685,12.4951,-7.7281,-3.2955,-0.0577,-14.7066,2.9694,-2
-S2O8-2,S2O8-2,S2O8-2,aq,SH88,NA,07.Nov.97,-266500,-321400,58.4,-25,79,13.3622,24.8454,-4.0153,-3.8061,12.9632,-8.1271,2.3281,-2
-F-,F-,F-,aq,SH88,NA,07.Nov.97,-67340,-80150,-3.15,-27.23,-1.32,0.687,1.3588,7.6033,-2.8352,4.46,-7.488,1.787,-1
-Cl-,Cl-,Cl-,aq,SH88,NA,07.Nov.97,-31379,-39933,13.56,-29.44,17.79,4.032,4.801,5.563,-2.847,-4.4,-5.714,1.456,-1
-ClO3-,ClO3-,ClO3-,aq,SH88,NA,07.Nov.97,-1900,-24850,38.8,-12.3,36.9,7.1665,9.7172,1.9307,-3.1807,8.5561,-5.5401,1.0418,-1
-Br-,Br-,Br-,aq,SH88,NA,07.Nov.97,-24870,-29040,19.8,-30.42,24.85,5.269,6.594,4.745,-3.143,-3.8,-6.811,1.3858,-1
-BrO3-,BrO3-,BrO3-,aq,SH88,NA,07.Nov.97,4450,-16030,38.65,-20.6,35.4,6.9617,9.2173,2.1272,-3.16,3.7059,-7.2308,1.0433,-1
-I-,I-,I-,aq,SH88,NA,07.Nov.97,-12410,-13600,25.5,-28.25,36.31,7.7623,8.2762,1.4609,-3.1211,-6.27,-4.944,1.2934,-1
-IO3-,IO3-,IO3-,aq,SH88,NA,07.Nov.97,-30600,-52900,28.3,-16.2,25.9,5.7148,6.1725,3.324,-3.0342,7.7293,-6.3345,1.2002,-1
-Ni+2,Ni+2,Ni+2,aq,SH88,NA,07.Nov.97,-10900,-12900,-30.8,-11.7,-29,-1.6942,-11.9181,10.4344,-2.2863,13.1905,-5.4179,1.5067,2
-Ag+,Ag+,Ag+,aq,SH88,NA,07.Nov.97,18427,25275,17.54,7.9,-0.8,1.7285,-3.5608,7.1496,-2.6318,12.7862,-1.4254,0.216,1
-Cd+2,Cd+2,Cd+2,aq,SH88,NA,07.Nov.97,-18560,-18140,-17.4,-3.5,-15.6,0.0537,-10.708,16.5176,-2.3363,15.6573,-3.7476,1.2528,2
-La+3,La+3,La+3,aq,SH88,NA,07.Nov.97,-164000,-169600,-52,-37.2,-38.6,-2.788,-14.3824,10.9602,-2.1844,4.2394,-10.6122,2.1572,3
-Nd+3,Nd+3,Nd+3,aq,SH88,NA,07.Nov.97,-160600,-166500,-49.5,-43.2,-43.1,-3.3707,-14.5452,8.3211,-2.1777,1.6236,-11.8344,2.255,3
-Sm+3,Sm+3,Sm+3,aq,SH88,NA,07.Nov.97,-159100,-165200,-50.7,-43.3,-42,-3.2065,-15.6108,11.8857,-2.1337,1.9385,-11.8548,2.2955,3
-Eu+3,Eu+3,Eu+3,aq,SH88,NA,07.Nov.97,-137300,-144700,-53,-36.6,-41.3,-3.1037,-15.3599,11.7871,-2.144,6.0548,-10.49,2.3161,3
-Gd+3,Gd+3,Gd+3,aq,SH88,NA,07.Nov.97,-158600,-164200,-49.2,-35.9,-40.4,-2.9771,-15.0506,11.6656,-2.1568,6.5606,-10.3474,2.3265,3
-Dy+3,Dy+3,Dy+3,aq,SH88,NA,07.Nov.97,-158700,-166500,-55.2,-31.7,-40.7,-3.0003,-15.1074,11.6879,-2.1545,9.5076,-9.4919,2.3792,3
-Ho+3,Ho+3,Ho+3,aq,SH88,NA,07.Nov.97,-161400,-169000,-54.3,-33.3,-41.6,-3.1198,-15.3992,11.8026,-2.1424,8.6686,-9.8178,2.3899,3
-Er+3,Er+3,Er+3,aq,SH88,NA,07.Nov.97,-159900,-168500,-58.3,-34.3,-43,-3.3041,-15.8492,11.9794,-2.1238,8.2815,-10.0215,2.4115,3
-Tm+3,Tm+3,Tm+3,aq,SH88,NA,07.Nov.97,-159900,-168500,-58.1,-34.3,-43,-3.2967,-15.8312,11.9724,-2.1245,8.4826,-10.0215,2.4333,3
-Yb+3,Yb+3,Yb+3,aq,SH88,NA,07.Nov.97,-153000,-160300,-56.9,-36.4,-44.6,-3.4983,-16.3233,12.1658,-2.1042,7.3533,-10.4493,2.4443,3
-Lu+3,Lu+3,Lu+3,aq,SH88,NA,07.Nov.97,-159400,-167900,-63.1,-32,-45,-3.563,-16.4812,12.2279,-2.0977,9.565,-9.716,2.4554,3
-BO2-,BO2-,BO2-,aq,SH88,NA,06.Nov.97,-162240,-184600,-8.9,-41,-14.5,-2.2428,-6.2065,-6.3216,-2.5224,-1.6521,-11.3863,1.7595,-1
-BF4-,BF4-,BF4-,aq,SH88,NA,16.Feb.88,-355400,-376400,43,-5.6,43,7.9796,11.7027,1.1504,-3.2628,11.8941,-4.1753,0.9779,-1
-SiF6-2,SiF6-2,SiF6-2,aq,SH88,NA,16.Feb.88,-525700,-571000,29.2,-47.1,42.6,8.5311,13.0492,0.6211,-3.3185,4.097,-12.6289,2.7716,-2
-H2AsO3-,H2AsO3-,H2AsO3-,aq,SH88,NA,3.Jul.87,-140330,-170840,26.4,-2.9,26.4,5.7934,6.3646,3.2485,-3.0421,15.8032,-3.6253,1.2305,-1
-S2-2,S2-2,S2-2,aq,SH88,NA,3.Jul.87,19000,7200,6.8,-65.1,20.2,5.5797,5.8426,3.4536,-3.0205,-3.3496,-16.2955,3.1083,-2
-S3-2,S3-2,S3-2,aq,SH88,NA,3.Jul.87,17600,6200,15.8,-57.9,29.2,6.7661,8.7396,2.315,-3.1403,-0.3595,-14.8288,2.9749,-2
-S4-2,S4-2,S4-2,aq,SH88,NA,3.Jul.87,16500,5500,24.7,-50.7,38.1,7.9381,11.6012,1.1902,-3.2586,2.6081,-13.3622,2.839,-2
-S5-2,S5-2,S5-2,aq,SH88,NA,3.Jul.87,15700,5100,33.6,-43.6,47,9.1107,14.4645,0.0649,-3.377,5.5361,-11.9159,2.7051,-2
-HF2-,HF2-,HF2-,aq,SH88,NA,12.Jul.87,-138160,-155340,22.1,-33.2,22.1,5.2263,4.9797,3.7928,-2.9849,-1.3751,-9.7974,1.2934,-1
-Br3-,Br3-,Br3-,aq,SH88,NA,12.Jul.87,-25590,-31170,51.5,5.6,51.5,9.0992,14.4364,0.0759,-3.3758,17.2705,-1.8939,0.849,-1
-I3-,I3-,I3-,aq,SH88,NA,12.Jul.87,-12300,-12300,57.2,13.1,57.2,9.85,16.2697,-0.6447,-3.4516,20.8712,-0.3661,0.7628,-1
-Ag+2,Ag+2,Ag+2,aq,SH88,NA,16.Feb.88,64300,64200,-21,-5.3,-19.3,-0.4299,-8.831,9.221,-2.4139,15.2224,-4.1142,1.3201,2
-Hg+2,Hg+2,Hg+2,aq,SH88,NA,1.Jul.87,39360,40670,-8.68,2.2,-19.6,-0.528,-9.0707,9.3152,-2.404,18.0613,-2.5865,1.1512,2
-Cu+2,Cu+2,Cu+2,aq,SH88,NA,07.Nov.97,15675,15700,-23.2,-5.7,-24.6,-1.1021,-10.4726,9.8662,-2.3461,20.3,-4.39,1.4769,2
-He,NA,He,aq,SHS89,NA,13.Jul.87,4658,-150,14.02,37.3,13,3.4722,0.6967,5.4762,-2.8078,26.0707,4.5634,-0.2123,0
-Ar,NA,Ar,aq,SHS89,NA,1.Sep.06,3900,-2870,14.3,52.8,31.71,6.003,6.8698,3.0499,-3.063,35.6471,7.316,-0.3073,0
-Xe,NA,Xe,aq,SHS89,NA,13.Jul.87,3225,-4510,14.62,64.8,42.6,7.5196,10.5793,1.5919,-3.2163,42.1036,10.1652,-0.2214,0
-H2,NA,H2,aq,SHS89,NA,13.Jul.87,4236,-1000,13.8,39.9,25.2,5.1427,4.7758,3.8729,-2.9764,27.6251,5.093,-0.209,0
-O2,NA,O2,aq,SHS89,NA,26.Jun.87,3954,-2900,26.04,56,30.38,5.7889,6.3536,3.2528,-3.0417,35.353,8.3726,-0.3943,0
-NH3,NA,NH3,aq,SSW01,SHS89,11.Oct.07,-6383,-19440,25.77,15.63,24.43,5.0911,2.797,8.6248,-2.8946,28.0865,-6.4728,-0.0769,0
-CO2,NA,CO2,aq,SSW01,SHS89,11.Oct.07,-92250,-98900,28.1,51.09,32.8,6.2466,7.4711,2.8136,-3.0879,38.4529,5.3534,-0.1934,0
-H2S,NA,H2S,aq,SSW01,SHS89,11.Oct.07,-6673,-9001,30,42.88,34.92,6.5097,6.7724,5.9646,-3.059,27.8951,6.7164,-0.1471,0
-B(OH)3,NA,B(OH)3,aq,SHS89,NA,13.Jul.87,-231540,-256820,37,12,39.22,7.0643,8.8547,3.5844,-3.1451,11.3568,-0.5902,-0.2,0
-SiO2,NA,SiO2,aq,SHS89,NA,13.Jan.89,-199190,-209775,18,-76.1,16.1,1.9,1.7,20,-2.7,29.1,-51.2,0.1291,0
-H3PO4,NA,H3PO4,aq,SHS89,NA,11.Jul.87,-273100,-307920,38,23.6,48.1,8.2727,12.4182,0.8691,-3.2924,17.9708,1.7727,-0.22,0
-Ne,NA,Ne,aq,SHS89,NA,13.Jul.87,4565,-870,16.74,39.7,20.4,4.4709,3.1352,4.5177,-2.9086,27.0977,5.0523,-0.2535,0
-Kr,NA,Kr,aq,SHS89,NA,13.Jul.87,3554,-3650,15.06,57.6,33.5,6.2721,7.5333,2.7891,-3.0904,37.8226,8.6985,-0.2281,0
-Rn,NA,Rn,aq,SHS89,NA,13.Jul.87,2790,-5000,16,83,54.1,9.0862,14.4045,0.0884,-3.3745,52.5774,13.8725,-0.2423,0
-N2,NA,N2,aq,SHS89,NA,7.Feb.89,4347,-2495,22.9,56,33.3,6.2046,7.3685,2.8539,-3.0836,35.7911,8.3726,-0.3468,0
-SO2,NA,SO2,aq,SSW01,SHS89,1.Sep.06,-71980,-77194,38.7,35.48,38.5,6.9502,9.189,2.1383,-3.1589,30.8993,2.0024,-0.0559,0
-HF,NA,HF,aq,SHS89,NA,7.Feb.89,-71662,-76835,22.5,14,12.5,3.4753,0.7042,5.4732,-2.8081,14.3647,-0.1828,-0.0007,0
-methane,NA,CH4,aq,SH90,NA,31.Aug.87,-8234,-21010,20.99,66.3,37.3,6.7617,8.7279,2.3212,-3.1397,42.0941,10.4707,-0.3179,0
-ethane,NA,C2H6,aq,SH90,NA,31.Aug.87,-3886,-24710,26.59,88.3,51.2,8.75,13.1051,1.6258,-3.3207,73.8072,2.2242,-0.0627,0
-propane,NA,C3H8,aq,SH90,NA,31.Aug.87,-1963,-30490,33.35,110.6,67,10.768,17.6785,-0.5878,-3.5097,84.546,4.6332,-0.165,0
-butane,NA,C4H10,aq,SH90,NA,15.Jan.93,36,-36230,40.02,133.9,82.8,12.8905,23.696,-3.5683,-3.7585,79.0569,24.2408,-0.6061,0
-pentane,NA,C5H12,aq,SH90,NA,15.Jan.93,2130,-41560,47.5,153,98.6,15.0143,28.8771,-5.5949,-3.9727,89.207,28.1315,-0.7193,0
-hexane,NA,C6H14,aq,SH90,NA,15.Jan.93,4420,-47400,52.9,175.2,114.4,17.1487,34.0927,-7.653,-4.1883,101.4642,32.6536,-0.8011,0
-heptane,NA,C7H16,aq,SH90,NA,15.Jan.93,6470,-52950,60,196.4,130.2,19.2745,39.281,-9.6879,-4.4028,112.898,36.9721,-0.9086,0
-octane,NA,C8H18,aq,SH90,NA,15.Jan.93,8580,-59410,63.8,217.6,146,21.4171,44.5126,-11.7437,-4.6191,124.7924,41.2905,-0.9662,0
-ethylene,NA,C2H4,aq,SH90,NA,4.Sep.87,19450,8570,28.7,62.5,45.5,7.856,12.6391,-1.8737,-3.3014,39.1,9.7,-0.4,0
-propene,NA,C3H6,aq,SH90,NA,4.Sep.87,17910,-290,36.7,83.7,61.3,9.9655,16.5518,-0.7564,-3.4632,50.0997,14.0151,-0.5558,0
-butene,NA,C4H8,aq,SH90,NA,4.Sep.87,20310,-5635,43.4,104.9,77.1,12.0932,21.7476,-2.7991,-3.6779,61.5894,18.3335,-0.6572,0
-pentene,NA,C5H10,aq,SH90,NA,4.Sep.87,22470,-11200,50.1,126.1,92.9,14.221,26.9431,-4.8413,-3.8927,73.0791,22.652,-0.7587,0
-hexene,NA,C6H12,aq,SH90,NA,4.Sep.87,24370,-17025,56.8,147.3,108.7,16.3488,32.1387,-6.8838,-4.1075,84.5689,26.9704,-0.8602,0
-heptene,NA,C7H14,aq,SH90,NA,4.Sep.87,26450,-22670,63.5,168.5,124.5,18.4766,37.3342,-8.926,-4.3223,96.0586,31.2889,-0.9616,0
-octene,NA,C8H16,aq,SH90,NA,4.Sep.87,28720,-28120,70.2,189.7,140.3,20.6044,42.5297,-10.9682,-4.5371,107.5483,35.6073,-1.0631,0
-ethyne,NA,C2H2,aq,SH90,NA,31.Aug.87,51890,50700,30,53,49.3,8.3577,12.6272,0.7833,-3.3009,33.0423,7.7615,-0.4543,0
-1-propyne,NA,C3H4,aq,SH90,NA,4.Sep.87,47880,38970,36.7,74.2,65.1,10.4855,17.8227,-1.2588,-3.5157,44.5321,12.0799,-0.5558,0
-1-butyne,NA,C4H6,aq,SH90,NA,4.Sep.87,50030,33400,43.4,95.4,80.9,12.6132,23.0185,-3.3011,-3.7305,56.0218,16.3984,-0.6572,0
-1-pentyne,NA,C5H8,aq,SH90,NA,4.Sep.87,52160,27800,50.1,116.6,96.7,14.741,28.214,-5.3433,-3.9453,67.5117,20.7168,-0.7587,0
-1-hexyne,NA,C6H10,aq,SH90,NA,4.Sep.87,54420,22340,56.8,137.8,112.5,16.8688,33.4096,-7.3857,-4.1601,79.0012,25.0353,-0.8602,0
-1-heptyne,NA,C7H12,aq,SH90,NA,4.Sep.87,56730,16980,63.7,159,128.3,18.9956,38.6015,-9.4245,-4.3747,90.4632,29.3537,-0.9647,0
-1-octyne,NA,C8H14,aq,SH90,NA,4.Sep.87,58860,11330,70.2,180.2,144.1,21.1244,43.8006,-11.4705,-4.5896,101.9808,33.6721,-1.0631,0
-benzene,NA,C6H6,aq,SH90,NA,4.Sep.87,32000,12230,35.5,86.3,83.5,13.1244,18.1143,11.8225,-3.5277,80.8626,1.7799,-0.1976,0
-toluene,NA,C6H5CH3,aq,SH90,NA,4.Sep.87,30260,3280,43.9,102.8,97.71,15.0259,21.9153,12.1349,-3.6849,93.924,2.8953,-0.3248,0
-ethylbenzene,NA,C6H5C2H5,aq,SH90,NA,4.Sep.87,32440,-2500,49.8,120.5,113.8,17.5572,33.0675,-2.9124,-4.1459,102.5478,6.6974,-0.2,0
-n-propylbenzene,NA,C6H5C3H7,aq,SH90,SLOP98,31.Aug.87,34370,-8630,55.3,144.8,129.6,20.1912,39.0352,-4.2632,-4.3926,123.7758,9.3452,-0.208,0
-n-butylbenzene,NA,C6H5C4H9,aq,SH90,SLOP98,31.Aug.87,36110,-13820,63,166,145.4,22.4936,44.2553,-5.4521,-4.6084,132.7179,10.3925,-0.1697,0
-n-pentylbenzene,NA,C6H5C5H11,aq,SH90,SLOP98,2.Sep.87,38790,-19400,69.7,187.2,161.2,24.3697,48.5078,-6.4198,-4.7842,146.7939,12.082,-0.1253,0
-n-hexylbenzene,NA,C6H5C6H13,aq,SH90,SLOP98,2.Sep.87,40880,-24990,76.4,208.4,177,26.6289,53.6288,-7.5847,-4.9959,160.8699,13.7715,-0.0809,0
-n-heptylbenzene,NA,C6H5C7H15,aq,SH90,SLOP98,2.Sep.87,43350,-123420,83.1,229.6,192.8,28.8881,58.7499,-8.7498,-5.2076,174.9459,15.461,-0.0364,0
-n-octylbenzene,NA,C6H5C8H17,aq,SH90,SLOP98,2.Sep.87,45400,-138400,89.8,250.8,208.6,31.1472,63.8712,-9.9148,-5.4193,189.022,17.1504,0.008,0
-methanol,NA,CH3OH,aq,SH90,NA,2.Sep.87,-42050,-58870,32.2,37.8,38.17,6.9383,5.5146,11.4018,-3.0069,39.4852,-1.4986,-0.1476,0
-ethanol,NA,C2H5OH,aq,SH90,NA,2.Sep.87,-43330,-68650,35.9,62.2,55.08,9.2333,9.9581,12.1445,-3.1906,60.0175,0.1507,-0.2037,0
-propanol,1-propanol,C3H7OH,aq,SH90,NA,2.Sep.87,-41910,-75320,41.4,84.3,70.7,11.3426,14.3252,12.1079,-3.3711,78.3142,1.6447,-0.2869,0
-butanol,1-butanol,C4H9OH,aq,SH90,NA,2.Sep.87,-38840,-80320,46.9,104.4,86.6,13.4902,17.94,14.1816,-3.5205,94.8858,3.0034,-0.3702,0
-pentanol,1-pentanol,C5H11OH,aq,SH90,NA,2.Sep.87,-38470,-87730,53.4,125.2,102.68,15.6573,22.623,13.6464,-3.7141,111.9216,4.4095,-0.4687,0
-hexanol,NA,C6H13OH,aq,SH90,SLOP98,2.Jun.98,-37060,-92690,64.8,144.4,118.65,17.7843,27.4289,12.589,-3.9128,126.8936,5.7074,-0.6413,0
-heptanol,NA,C7H15OH,aq,SH90,SLOP98,2.Jun.98,-34095,-97270,72.1,174.2,133.43,19.7695,31.3977,12.9129,-4.0769,151.5815,7.7219,-0.7519,0
-octanol,NA,C8H17OH,aq,SH90,NA,2.Sep.87,-30250,-103060,72.3,195,149.2,21.9264,35.7093,13.267,-4.2551,169.4962,9.128,-0.7549,0
-acetone,NA,C3H6O,aq,SH90,NA,2.Sep.87,-38500,-61720,44.4,57.7,66.92,10.81,13.4912,11.435,-3.3366,54.9496,-0.1534,-0.3324,0
-butanone,2-butanone,C4H8O,aq,SH90,NA,2.Sep.87,-36730,-67880,50.3,80.4,82.52,12.9145,17.6967,11.7839,-3.5105,73.7083,1.381,-0.4217,0
-2-pentanone,NA,C5H10O,aq,SH90,NA,2.Sep.87,-34390,-73460,56.3,101.6,98,15.0021,21.8653,12.1372,-3.6828,91.1588,2.8142,-0.5126,0
-2-hexanone,NA,C6H12O,aq,SH90,NA,2.Sep.87,-32480,-79220,63.4,122.8,113.7,17.1141,26.0886,12.4806,-3.8574,108.456,4.2473,-0.6201,0
-2-heptanone,NA,C7H14O,aq,SH90,NA,2.Sep.87,-30430,-84890,70.1,144,129.5,19.2419,30.3392,12.8366,-4.0331,125.8091,5.6804,-0.7216,0
-2-octanone,NA,C8H16O,aq,SH90,NA,2.Sep.87,-28380,-90560,76.8,165.2,145.3,21.3697,34.596,13.1769,-4.2091,143.162,7.1135,-0.8231,0
-methanamine,NA,CH3NH2,aq,SH90,NA,4.Sep.87,5040,-16320,30.5,37,41.88,7.4547,6.7824,10.8884,-3.0593,39.0324,-1.5527,-0.1219,0
-ethanamine,NA,C2H5NH2,aq,SH90,NA,1.Oct.87,6300,-23830,33.6,56.8,58.61,9.7281,11.3257,11.2651,-3.2471,55.6799,-0.2142,-0.1688,0
-propanamine,NA,C3H7NH2,aq,SH90,NA,4.Sep.87,7010,-30680,40.8,78,74.15,11.8178,15.5013,11.6113,-3.4197,72.9633,1.2188,-0.2779,0
-butanamine,NA,C4H9NH2,aq,SH90,NA,4.Sep.87,9410,-36110,47.2,101,89.8,13.9266,19.7205,11.9476,-3.5941,91.9109,2.7736,-0.3748,0
-pentanamine,NA,C5H11NH2,aq,SH90,NA,1.Oct.87,12800,-40650,53.5,123,105.7,16.0701,24.0048,12.301,-3.7713,110.0099,4.2608,-0.4702,0
-hexanamine,NA,C6H13NH2,aq,SH90,NA,4.Sep.87,14860,-46320,60.2,144,121.6,18.2115,28.2822,12.6611,-3.9481,127.1903,5.6804,-0.5717,0
-heptanamine,NA,C7H15NH2,aq,SH90,NA,4.Sep.87,16910,-51990,66.9,162.8,137.6,20.3667,32.5921,13.0098,-4.1263,142.4729,6.9513,-0.6731,0
-octanamine,NA,C8H17NH2,aq,SH90,NA,4.Sep.87,18960,-57660,73.6,184,153.2,22.4671,36.7896,13.3574,-4.2998,159.8259,8.3844,-0.7746,0
-"a-aminobutyric acid",NA,C4H9NO2,aq,SH90,NA,4.Sep.87,-87120,-138180,46.7,53.1,76.5,12.1092,16.0862,11.6529,-3.4439,50.6605,-0.4643,-0.3672,0
-alanylglycine,NA,C5H10N2O3,aq,Sho92,NA,28.Feb.92,-116730,-186110,50.7,60.3,95.22,14.6503,21.164,12.0751,-3.6538,54.7374,0.7979,-0.4278,0
-leucylglycine,NA,C8H16N2O3,aq,Sho92,NA,27.Aug.06,-110620,-202660,72.6,118.8,145.34,21.3967,34.6501,13.1805,-4.2113,98.6389,6.4783,-0.7594,0
-diglycine,NA,C4H8N2O3,aq,Sho92,NA,28.Feb.92,-117020,-175640,54.2,38,76.27,12.0393,15.9447,11.6466,-3.4381,36.349,-1.3673,-0.4808,0
-diketopiperazine,NA,C4H6N2O2,aq,Sho92,NA,28.Feb.92,-57440,-99300,53.5,17,76.73,12.1058,16.0764,11.6608,-3.4435,19.5904,-3.4064,-0.4702,0
-ethylacetate,NA,CH3COOCH2CH3,aq,Sho93,NA,18.Mar.93,-79300,-116840,53.4,94.8,88.8,13.8375,24.6396,-1.0033,-3.7975,83.6983,4.4052,-0.2334,0
-Pb(Ac)+,NA,PbCH3COO+,aq,SK93,NA,16.Feb.91,-97250,-115880,36,71.4,32.1,6.1543,7.2429,2.9082,-3.0783,48.0824,11.5161,0.0057,1
-Pb(Ac)2,NA,Pb(CH3COO)2,aq,SK93,NA,16.Feb.91,-186890,-229460,69.8,165,85.2,13.409,24.9584,-4.057,-3.8107,102.6053,30.5811,-0.03,2
-Ca(Ac)+,NA,CaCH3COO+,aq,SK93,NA,5.Apr.93,-221660,-245620,12.5,83.1,29.3,5.9002,6.6232,3.1505,-3.0527,58.1976,13.8857,0.3636,1
-Mg(Ac)+,NA,MgCH3COO+,aq,SK93,NA,17.Mar.93,-198520,-229480,-13.1,88,25.4,5.4981,5.6424,3.5341,-3.0122,64.6297,14.8894,0.7483,1
-Li(Ac),NA,LiCH3COO,aq,SK93,NA,17.Aug.92,-158610,-184240,19.5,86.7,48.5,8.388,12.6976,0.7639,-3.3038,56.6767,14.6175,-0.03,0
-Na(Ac),NA,NaCH3COO,aq,SK93,NA,17.Aug.92,-150720,-173540,34.2,75.1,48.2,8.3514,12.6125,0.7884,-3.3003,49.8989,12.2617,-0.03,0
-K(Ac),NA,KCH3COO,aq,SK93,NA,17.Aug.92,-155420,-175220,47.6,59.2,59.5,9.902,16.3937,-0.6874,-3.4566,40.5631,9.0167,-0.03,0
-Sr(Ac)+,NA,SrCH3COO+,aq,SK93,NA,17.Aug.92,-224510,-247220,20,77.4,30.1,5.9602,6.7718,3.0884,-3.0588,53.8109,12.7307,0.2482,1
-Ba(Ac)+,NA,BaCH3COO+,aq,SK93,NA,17.Aug.92,-223650,-242850,33.5,72.3,35.4,6.6253,8.3926,2.4574,-3.1259,48.9806,11.6995,0.0459,1
-Mn(Ac)+,NA,MnCH3COO+,aq,SK93,NA,17.Aug.92,-144430,-169560,6.3,90.8,30.4,6.0776,7.057,2.9786,-3.0706,63.5668,15.4577,0.4555,1
-Mn(Ac)2,NA,Mn(CH3COO)2,aq,SK93,NA,10.Sep.92,-233850,-287670,24.2,202.8,83.3,13.1542,24.3405,-3.8236,-3.7851,124.7315,38.2716,-0.03,2
-Co(Ac)+,NA,CoCH3COO+,aq,SK93,NA,17.Aug.92,-103260,-132080,-6.5,82.5,22.3,5.0294,4.4992,3.9806,-2.9649,60.4543,13.7619,0.6472,1
-Ni(Ac)+,NA,NiCH3COO+,aq,SK93,NA,17.Aug.92,-101120,-131450,-11.7,73.7,17.1,4.3556,2.8512,4.6343,-2.8968,56.0621,11.9745,0.7287,1
-Cu(Ac)+,NA,CuCH3COO+,aq,SK93,NA,19.Aug.92,-75640,-103120,-1.3,87.2,22,4.9722,4.362,4.029,-2.9592,62.495,14.7244,0.5681,1
-Cu(Ac)2,NA,Cu(CH3COO)2,aq,SK93,NA,19.Aug.92,-165820,-222690,14.2,195.8,74,11.8801,21.2264,-2.5925,-3.6564,120.615,36.8408,-0.03,2
-Cd(Ac)+,NA,CdCH3COO+,aq,SK93,NA,17.Aug.92,-109460,-135920,6.6,92.1,32.1,6.3043,7.6112,2.7593,-3.0935,64.3035,15.7327,0.4496,1
-Cd(Ac)2,NA,Cd(CH3COO)2,aq,SK93,NA,17.Aug.92,-199400,-254520,24.6,205.4,85.2,13.409,24.9584,-4.057,-3.8107,126.2752,38.8081,-0.03,2
-Hg(Ac)+,NA,HgCH3COO+,aq,SK93,NA,17.Aug.92,-54760,-79390,18.5,105,27.6,5.6341,5.9787,3.3935,-3.0261,70.1764,18.3452,0.2712,1
-Hg(Ac)2,NA,Hg(CH3COO)2,aq,SK93,NA,17.Aug.92,-146580,-198780,40.1,230.4,80.2,12.7295,23.3004,-3.408,-3.7421,140.9402,43.9053,-0.03,2
-Ag(Ac),NA,AgCH3COO,aq,SK93,NA,17.Aug.92,-70840,-91650,38.9,72.5,48.6,8.3987,12.7257,0.7485,-3.305,48.3694,11.73,-0.03,0
-Ag(Ac)2-,NA,Ag(CH3COO)2-,aq,SK93,NA,17.Aug.92,-158990,-210560,49.9,164.9,103.5,16.2287,31.8418,-6.7592,-4.0952,110.8373,30.5473,0.8741,-1
-Tl(Ac),NA,TlCH3COO,aq,SK93,NA,17.Aug.92,-95860,-113350,55.2,45.3,69.7,11.2955,19.8003,-2.0347,-3.5974,32.4138,6.1843,-0.03,0
-Al(Ac)+2,NA,AlCH3COO+2,aq,SK93,SLOP98,5.Apr.93,-208420,-249360,-63.1,72.2,-0.03,2.4411,-1.8235,6.4722,-2.7035,67.0012,11.6689,2.0115,2
-Al(Ac)2+,NA,Al(CH3COO)2+,aq,SK93,SLOP98,5.Apr.93,-300240,-373010,-55.7,168.7,49.4,8.9971,14.1844,0.1805,-3.3653,117.86,31.3303,1.3918,1
-Bi(Ac)+2,NA,BiCH3COO+2,aq,SK93,NA,26.Sep.92,-67750,-96420,-15.2,153.5,21.7,5.169,4.8386,3.8508,-2.9789,107.9465,28.2236,1.286,2
-Bi(Ac)2+,NA,Bi(CH3COO)2+,aq,SK93,NA,26.Sep.92,-157070,-212380,9.6,327.3,73.6,11.976,21.4619,-2.6877,-3.6661,201.695,63.6303,0.4046,1
-Eu(Ac)+2,NA,EuCH3COO+2,aq,SK93,NA,10.Sep.92,-229390,-264280,-31.1,63,3.4,2.75,-1.0666,6.169,-2.7348,57.1309,9.7898,1.5269,2
-La(Ac)+2,NA,LaCH3COO+2,aq,SK93,NA,17.Aug.92,-255750,-288710,-29.6,61.6,6.4,3.1548,-0.0804,5.7863,-2.7756,56.153,9.5148,1.5067,2
-La(Ac)2+,NA,La(CH3COO)2+,aq,SK93,NA,17.Aug.92,-346160,-407330,-10.1,148.1,56.5,9.7487,16.0216,-0.5464,-3.4412,99.3969,27.1273,0.7003,1
-Nd(Ac)+2,NA,NdCH3COO+2,aq,SK93,NA,17.Aug.92,-252510,-285470,-26.1,48.1,1.4,2.4521,-1.7961,6.4594,-2.7046,47.7869,6.7648,1.4574,2
-Nd(Ac)2+,NA,Nd(CH3COO)2+,aq,SK93,NA,17.Aug.92,-343330,-404110,-5.3,121.7,51,8.9606,14.099,0.2066,-3.3618,83.3168,21.7619,0.6305,1
-Sm(Ac)+2,NA,SmCH3COO+2,aq,SK93,NA,17.Aug.92,-251240,-284550,-27.8,47.9,2.7,2.6264,-1.3667,6.2827,-2.7224,47.8346,6.719,1.4769,2
-Sm(Ac)2+,NA,Sm(CH3COO)2+,aq,SK93,NA,17.Aug.92,-342190,-403500,-7.6,121.3,52.4,9.159,14.5839,0.0138,-3.3818,83.3717,21.6725,0.6644,1
-Yb(Ac)+2,NA,YbCH3COO+2,aq,SK93,NA,17.Aug.92,-244760,-280040,-36.6,63.4,-0.1,2.2906,-2.1905,6.6154,-2.6883,58.1718,9.8814,1.6113,2
-Yb(Ac)2+,NA,Yb(CH3COO)2+,aq,SK93,NA,17.Aug.92,-335520,-399750,-19.6,151.6,49.3,8.7953,13.6959,0.3628,-3.3451,102.7868,27.8427,0.8449,1
-U(Ac)+2,NA,UCH3COO+2,aq,SK93,NA,17.Aug.92,-205480,-235460,-21.3,144.6,19.3,4.8662,4.1031,4.1308,-2.9485,103.6659,26.4274,1.3823,2
-U(Ac)2+,NA,U(CH3COO)2+,aq,SK93,SLOP98,2.Jun.98,-296950,-354300,1.3,310.1,70.9,11.6455,20.6554,-2.3718,-3.6328,192.7896,60.1258,0.5324,1
-U(Ac)3,NA,U(CH3COO)3,aq,SK93,NA,17.Aug.92,-387360,-473790,17.7,496,128.4,19.329,39.4128,-9.7374,-4.4082,296.5739,97.9996,-0.03,0
-UO2(Ac)+,NA,UO2CH3COO+,aq,SK93,SLOP98,2.Jun.98,-320100,-363559,-1.7,123,55.8,9.599,15.6588,-0.4099,-3.4262,83.5297,22.0118,0.5756,1
-UO2(Ac)2,NA,UO2(CH3COO)2,aq,SK93,NA,09.Dec.94,-411840,-484700,13.7,265.6,111.7,17.0325,33.8044,-7.5309,-4.1764,161.5228,51.0592,-0.03,0
-UO2(Ac)3-,NA,UO2(CH3COO)3-,aq,SK93,NA,09.Dec.94,-502400,-607960,18.3,438,173.8,26.0101,55.7294,-16.1571,-5.0828,275.3211,86.1855,1.3526,-1
-Li(Ac)2-,NA,Li(CH3COO)2-,aq,SK93,NA,10.Sep.92,-246810,-304670,25.5,192.5,103.5,16.3412,32.1211,-6.8785,-4.1068,130.4373,36.181,1.2422,-1
-Na(Ac)2-,NA,Na(CH3COO)2-,aq,SK93,NA,10.Sep.92,-238470,-292400,44,170,103.2,16.2062,31.7884,-6.7416,-4.093,114.6437,31.5846,0.9633,-1
-K(Ac)2-,NA,K(CH3COO)2-,aq,SK93,NA,10.Sep.92,-242990,-292900,60.7,138.9,115.8,17.8481,35.7984,-8.3193,-4.2588,94.0916,25.2533,0.7097,-1
-Mg(Ac)2,NA,Mg(CH3COO)2,aq,SK93,SLOP98,2.Jun.98,-287830,-349327,-1.2,197.3,77.8,12.3982,22.4898,-3.0853,-3.7086,121.5413,37.1627,-0.03,0
-Ca(Ac)2,NA,Ca(CH3COO)2,aq,SK93,SLOP98,2.Jun.98,-311570,-363720,32.3,187.7,82.1,12.9911,23.9379,-3.6556,-3.7685,115.9068,35.2043,-0.03,0
-Sr(Ac)2,NA,Sr(CH3COO)2,aq,SK93,NA,10.Sep.92,-313610,-363740,42.2,176.7,82.9,13.1015,24.2102,-3.7685,-3.7797,109.4234,32.9508,-0.03,0
-Ba(Ac)2,NA,Ba(CH3COO)2,aq,SK93,NA,10.Sep.92,-312620,-358010,59.7,166.8,88.9,13.9186,26.2066,-4.5556,-3.8623,103.6344,30.9388,-0.03,0
-Mn(Ac)3-,NA,Mn(CH3COO)3-,aq,SK93,NA,10.Sep.92,-322580,-408280,31.5,331.9,142.3,21.6217,45.0124,-11.9409,-4.6397,211.3036,64.5717,1.1536,-1
-Co(Ac)2,NA,Co(CH3COO)2,aq,SK93,NA,10.Sep.92,-192770,-251460,7.5,186.5,74.2,11.9141,21.312,-2.6321,-3.6599,115.2121,34.9629,-0.03,0
-Co(Ac)3-,NA,Co(CH3COO)3-,aq,SK93,NA,10.Sep.92,-281890,-373730,10.4,304.4,132.2,20.3474,41.8989,-10.7127,-4.511,198.142,58.9793,1.4714,-1
-Ni(Ac)2,NA,Ni(CH3COO)2,aq,SK93,SLOP98,2.Jun.98,-190610,-251340,0.7,169.4,68.5,11.1327,19.4031,-1.8801,-3.581,105.1782,31.4753,-0.03,0
-Ni(Ac)3-,NA,Ni(CH3COO)3-,aq,SK93,SLOP98,2.Jun.98,-279690,-374124,1.9,275.5,125.8,19.5212,39.8827,-9.9226,-4.4277,182.3942,53.0847,1.603,-1
-Cu(Ac)3-,NA,Cu(CH3COO)3-,aq,SK93,NA,10.Sep.92,-255810,-345320,18.99,320,131.9,20.2654,41.7019,-10.6422,-4.5029,206.07,62.1534,1.3408,-1
-Cd(Ac)3-,NA,Cd(CH3COO)3-,aq,SK93,SLOP98,2.Jun.98,-288030,-375080,31.9,336.3,144.3,21.9033,45.7036,-12.2199,-4.6683,213.8505,65.4786,1.1469,-1
-Hg(Ac)3-,NA,Hg(CH3COO)3-,aq,SK93,NA,10.Sep.92,-239020,-321900,51.4,378.6,138.8,21.0462,43.6061,-11.3861,-4.5816,235.9096,74.0939,0.8508,-1
-Pb(Ac)3-,NA,Pb(CH3COO)3-,aq,SK93,NA,08.Apr.93,-277750,-348760,88.6,268.1,144.3,21.6128,44.9921,-11.9361,-4.6389,165.9232,51.5732,0.2871,-1
-Tl(Ac)2-,NA,Tl(CH3COO)2-,aq,SK93,NA,20.Sep.92,-183600,-230620,70.3,111.7,127.1,19.3516,39.4721,-9.7684,-4.4107,76.8519,19.7269,0.5643,-1
-Bi(Ac)3,NA,Bi(CH3COO)3,aq,SK93,NA,26.Sep.92,-245540,-329240,28.6,525.1,131.5,19.7454,40.4309,-10.1406,-4.4503,313.616,103.923,-0.03,0
-Eu(Ac)2+,NA,Eu(CH3COO)2+,aq,SK93,NA,2.Jun.98,-320420,-383670,-12,150.7,53.3,9.3029,14.9307,-0.1123,-3.3961,101.2917,27.6639,0.7384,1
-Eu(Ac)3,NA,Eu(CH3COO)3,aq,SK93,NA,2.Jun.98,-410690,-504320,0.2,226.6,108.8,16.6413,32.8512,-7.1605,-4.137,138.7162,43.1323,-0.03,0
-La(Ac)3,NA,La(CH3COO)3,aq,SK93,SLOP98,2.Jun.98,-436550,-527986,2.8,222.2,112.5,17.1523,34.102,-7.6583,-4.1887,136.1072,42.2254,-0.03,0
-Nd(Ac)3,NA,Nd(CH3COO)3,aq,SK93,NA,10.Sep.92,-433560,-524090,9.1,177.7,106.3,16.3006,32.0216,-6.8393,-4.1027,110.0156,33.1567,-0.03,0
-Sm(Ac)3,NA,Sm(CH3COO)3,aq,SK93,SLOP98,2.Jun.98,-432630,-524009,6,176.9,107.8,16.5088,32.5307,-7.0412,-4.1237,109.5807,33.0056,-0.03,0
-Yb(Ac)3,NA,Yb(CH3COO)3,aq,SK93,NA,10.Sep.92,-425590,-520890,-9.7,228.1,104.4,16.0356,31.3743,-6.5843,-4.0759,139.5859,43.4346,-0.03,0
-Rb(Ac),NA,RbCH3COO,aq,SK93,NA,19.Aug.92,-156110,-174950,53.7,48,65.3,10.6948,18.3352,-1.4623,-3.5369,33.9961,6.7343,-0.03,0
-Rb(Ac)2-,NA,Rb(CH3COO)2-,aq,SK93,NA,10.Sep.92,-244000,-292490,68.3,117,122.2,18.6924,37.8608,-9.1318,-4.3441,80.2139,20.8,0.5941,-1
-Cs(Ac),NA,CsCH3COO,aq,SK93,NA,19.Aug.92,-158010,-176320,57.5,40.6,73.3,11.7865,20.9974,-2.502,-3.6469,29.6579,5.2264,-0.03,0
-Cs(Ac)2-,NA,Cs(CH3COO)2-,aq,SK93,NA,10.Sep.92,-245900,-293570,73.2,102.6,131.1,19.8839,40.767,-10.2671,-4.4642,71.0739,17.858,0.5208,-1
-Cu(Ac),NA,CuCH3COO,aq,SK93,NA,19.Aug.92,-76770,-99970,28.7,85.5,40.5,7.3009,10.0483,1.7946,-3.1943,56.0175,14.3883,-0.03,0
-Cu(Ac)2-,NA,Cu(CH3COO)2-,aq,SK93,NA,10.Sep.92,-165000,-219740,37,190.3,94.6,15.0715,29.0205,-5.6592,-3.9786,127.5564,35.7339,1.0691,-1
-Au(Ac),NA,AuCH3COO,aq,SK93,NA,10.Sep.92,-49870,-68310,48,56.1,61.8,10.213,17.1576,-0.9969,-3.4882,38.7432,8.3843,-0.03,0
-Au(Ac)2-,NA,Au(CH3COO)2-,aq,SK93,NA,10.Sep.92,-138240,-186750,61.3,132.8,118.3,18.1917,36.6392,-8.6534,-4.2936,90.461,24.0193,0.701,-1
-NH4(Ac),NA,NH4CH3COO,aq,SK93,NA,10.Sep.92,-107550,-147230,50.7,90.1,69.6,11.2849,19.7719,-2.0187,-3.5963,58.7075,15.3233,-0.03,0
-NH4(Ac)2-,NA,NH4(CH3COO)2-,aq,SK93,NA,10.Sep.92,-195640,-265200,64.7,199.3,127,19.3685,39.509,-9.7736,-4.4122,128.9386,37.5581,0.6495,-1
-Be(Ac)+,NA,BeCH3COO+,aq,SK93,NA,11.Mar.93,-174020,-213040,-45.6,97.1,21.1,5.0795,4.6238,3.9264,-2.97,74.547,16.741,1.2465,1
-Be(Ac)2,NA,Be(CH3COO)2,aq,SK93,NA,11.Mar.93,-263740,-336230,-43.8,215.1,73,11.7442,20.8961,-2.4661,-3.6427,131.9355,40.7754,-0.03,0
-Ra(Ac)+,NA,RaCH3COO+,aq,SK93,NA,11.Mar.93,-223900,-239380,48,67.6,37.6,6.8554,8.9566,2.2315,-3.1492,44.1726,10.737,-0.1754,1
-Ra(Ac)2,NA,Ra(CH3COO)2,aq,SK93,NA,11.Mar.93,-312940,-353260,78.8,157.6,91.4,14.2584,27.0324,-4.8725,-3.8964,98.2315,29.0609,-0.03,0
-Sc(Ac)+2,NA,ScCH3COO+2,aq,SK93,NA,10.Sep.92,-233010,-268100,-42.4,65.7,2.8,2.7175,-1.1437,6.1937,-2.7316,60.3195,10.3398,1.7013,2
-Sc(Ac)2+,NA,Sc(CH3COO)2+,aq,SK93,NA,10.Sep.92,-324640,-389320,-27.5,156,52.5,9.2794,14.8737,-0.0899,-3.3938,106.5183,28.737,0.9706,1
-Sc(Ac)3,NA,Sc(CH3COO)3,aq,SK93,NA,10.Sep.92,-415370,-511840,-20,235.6,108,16.5277,32.5748,-7.0539,-4.1255,143.9346,44.946,-0.03,0
-Pr(Ac)+2,NA,PrCH3COO+2,aq,SK93,NA,10.Sep.92,-254570,-287880,-26.8,38,2.5,2.6078,-1.4116,6.2996,-2.7205,41.9424,4.7024,1.4671,2
-Pr(Ac)2+,NA,Pr(CH3COO)2+,aq,SK93,NA,10.Sep.92,-345500,-406710,-6.2,102,52.3,9.1362,14.525,0.0441,-3.3794,71.8931,17.7378,0.6472,1
-Pr(Ac)3,NA,Pr(CH3COO)3,aq,SK93,NA,10.Sep.92,-435690,-526750,7.8,144.3,107.7,16.4898,32.4806,-7.0127,-4.1216,90.447,26.3552,-0.03,0
-Ce(Ac)+2,NA,CeCH3COO+2,aq,SK93,NA,10.Sep.92,-253590,-286390,-25.4,58.5,5.1,2.9487,-0.5825,5.9809,-2.7548,53.6757,8.8731,1.4382,2
-Ce(Ac)2+,NA,Ce(CH3COO)2+,aq,SK93,NA,2.Jun.98,-344550,-405090,-4.3,141.9,55.1,9.5157,15.4527,-0.3219,-3.4177,95.0022,25.8754,0.6143,1
-Ce(Ac)3,NA,Ce(CH3COO)3,aq,SK93,NA,10.Sep.92,-434760,-524960,10.3,211.8,110.9,16.9252,33.5426,-7.4282,-4.1656,130.0191,40.1094,-0.03,0
-Gd(Ac)+2,NA,GdCH3COO+2,aq,SK93,NA,10.Sep.92,-250490,-283100,-25.7,64.5,4.4,2.8605,-0.7945,6.0567,-2.7461,57.3241,10.1106,1.4477,2
-Gd(Ac)2+,NA,Gd(CH3COO)2+,aq,SK93,NA,10.Sep.92,-341350,-401740,-4.7,153.8,54.4,9.4165,15.2134,-0.2342,-3.4078,102.023,28.2899,0.6223,1
-Gd(Ac)3,NA,Gd(CH3COO)3,aq,SK93,NA,10.Sep.92,-431490,-521580,9.8,231.8,110,16.8116,33.2662,-7.3215,-4.1541,141.7603,44.1903,-0.03,0
-Tb(Ac)+2,NA,TbCH3COO+2,aq,SK93,NA,10.Sep.92,-251390,-286400,-32.5,54.2,4.7,2.9247,-0.6382,5.9963,-2.7525,52.1779,8.0023,1.5475,2
-Tb(Ac)2+,NA,Tb(CH3COO)2+,aq,SK93,NA,10.Sep.92,-342250,-405780,-14,133.6,54.6,9.4965,15.4094,-0.3132,-3.4159,91.4417,24.1763,0.7584,1
-Tb(Ac)3,NA,Tb(CH3COO)3,aq,SK93,NA,10.Sep.92,-432390,-526470,-2.3,197.7,110.3,16.8495,33.3603,-7.3624,-4.158,121.7569,37.2376,-0.03,0
-Dy(Ac)+2,NA,DyCH3COO+2,aq,SK93,NA,11.Sep.92,-250590,-286150,-34.2,74,4.1,2.8591,-0.797,6.0561,-2.746,64.072,12.0356,1.579,2
-Dy(Ac)2+,NA,Dy(CH3COO)2+,aq,SK93,NA,11.Sep.92,-341450,-405710,-16.3,172.2,54,9.4257,15.233,-0.2363,-3.4086,114.4678,32.0457,0.8002,1
-Dy(Ac)3,NA,Dy(CH3COO)3,aq,SK93,SLOP98,2.Jun.98,-431590,-526752,-5.4,263,109.6,16.7548,33.1279,-7.2677,-4.1484,160.0243,50.5384,-0.03,0
-Ho(Ac)+2,NA,HoCH3COO+2,aq,SK93,NA,11.Sep.92,-253270,-288520,-32.9,70.4,3.1,2.7148,-1.1553,6.2089,-2.7311,61.7679,11.3023,1.5579,2
-Ho(Ac)2+,NA,Ho(CH3COO)2+,aq,SK93,NA,11.Sep.92,-344120,-407930,-14.6,165.2,52.9,9.2621,14.8317,-0.0744,-3.392,110.0599,30.6149,0.7686,1
-Ho(Ac)3,NA,Ho(CH3COO)3,aq,SK93,SLOP98,2.Jun.98,-434250,-528736,-3.1,251.1,108.4,16.5845,32.713,-7.107,-4.1313,153.0665,48.1201,-0.03,0
-Er(Ac)+2,NA,ErCH3COO+2,aq,SK93,NA,11.Sep.92,-251770,-288520,-38.6,68.1,1.5,2.5305,-1.6022,6.3787,-2.7127,61.2455,10.8439,1.6444,2
-Er(Ac)2+,NA,Er(CH3COO)2+,aq,SK93,NA,11.Sep.92,-342620,-408540,-22.3,160.8,51.2,9.0662,14.3528,0.1146,-3.3722,108.6293,29.7206,0.8926,1
-Er(Ac)3,NA,Er(CH3COO)3,aq,SK93,NA,11.Sep.92,-432750,-529992,-13.2,243.7,106.4,16.3195,32.0657,-6.852,-4.1045,148.7181,46.6086,-0.03,0
-Tm(Ac)+2,NA,TmCH3COO+2,aq,SK93,NA,11.Sep.92,-251770,-288500,-38.3,68.1,1.5,2.5268,-1.6112,6.3814,-2.7123,61.1431,10.8439,1.6332,2
-Tm(Ac)2+,NA,Tm(CH3COO)2+,aq,SK93,NA,11.Sep.92,-342620,-408490,-21.9,160.8,51.2,9.0621,14.3448,0.1131,-3.3719,108.5166,29.7206,0.8803,1
-Tm(Ac)3,NA,Tm(CH3COO)3,aq,SK93,NA,11.Sep.92,-432750,-529900,-12.7,243.7,106.4,16.3195,32.0657,-6.852,-4.1045,148.7181,46.6086,-0.03,0
-Lu(Ac)+2,NA,LuCH3COO+2,aq,SK93,NA,10.Sep.92,-251290,-288534,-45.4,73.3,-0.7,2.2608,-2.2622,6.6412,-2.6854,65.2386,11.8981,1.7486,2
-Lu(Ac)2+,NA,Lu(CH3COO)2+,aq,SK93,NA,10.Sep.92,-342150,-409310,-31.6,170.9,48.7,8.7721,13.6382,0.3879,-3.3427,115.7906,31.7774,1.0276,1
-Lu(Ac)3,NA,Lu(CH3COO)3,aq,SK93,NA,10.Sep.92,-432290,-531620,-25.3,260.8,103.7,15.9409,31.1419,-6.4897,-4.0663,158.7197,50.085,-0.03,0
-Y(Ac)+2,NA,YCH3COO+2,aq,SK93,NA,10.Sep.92,-255670,-291130,-41,65,4,2.8774,-0.7576,6.0516,-2.7476,59.7114,10.2023,1.6782,2
-Y(Ac)2+,NA,Y(CH3COO)2+,aq,SK93,NA,10.Sep.92,-346520,-411420,-25.6,154.7,53.9,9.4572,15.3127,-0.2736,-3.4119,105.4982,28.4687,0.9437,1
-Y(Ac)3,NA,Y(CH3COO)3,aq,SK93,NA,10.Sep.92,-436650,-533170,-17.5,233.3,109.5,16.7359,33.0838,-7.255,-4.1466,142.63,44.4926,-0.03,0
[TRUNCATED]
To get the complete diff run:
svnlook diff /svnroot/chnosz -r 169
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