[CHNOSZ-commits] r411 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT vignettes

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Sun Feb 24 23:46:53 CET 2019 

Author: jedick
Date: 2019-02-24 23:46:53 +0100 (Sun, 24 Feb 2019)
New Revision: 411

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
   pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
   pkg/CHNOSZ/vignettes/anintro.Rmd
   pkg/CHNOSZ/vignettes/obigt.Rmd
   pkg/CHNOSZ/vignettes/obigt.bib
Log:
OBIGT: add/update Zn species from Akinfiev and Tagirov, 2014


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-02-24 13:48:00 UTC (rev 410)
+++ pkg/CHNOSZ/DESCRIPTION	2019-02-24 22:46:53 UTC (rev 411)
@@ -1,6 +1,6 @@
 Date: 2019-02-24
 Package: CHNOSZ
-Version: 1.2.0-18
+Version: 1.2.0-19
 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/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2019-02-24 13:48:00 UTC (rev 410)
+++ pkg/CHNOSZ/inst/NEWS	2019-02-24 22:46:53 UTC (rev 411)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.2.0-16 (2019-02-24)
+CHANGES IN CHNOSZ 1.2.0-19 (2019-02-25)
 ---------------------------------------
 
 CRAN COMPLIANCE
@@ -50,6 +50,8 @@
 
 - Update Pt+2 and complexes with data from Tagirov et al., 2015.
 
+- Update Zn+2 and complexes with data from Akinfiev and Tagirov, 2015.
+
 DOCUMENTATION
 
 - In demo/NaCl.R, indicate region not considered by Shock et al., 1992

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-24 13:48:00 UTC (rev 410)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-24 22:46:53 UTC (rev 411)
@@ -22,18 +22,25 @@
 PdOH+,Pd(OH)+,Pd(OH)+,aq,"SS98a.3 [S98]",NA,13.Jul.95,-13130,-24120,-3.4,12.8,-13.5,0.1226,-7.4741,8.6697,-2.4699,19.2537,-0.4271,0.6063,1
 Pd(SO4)3-4,Pd(SO4)3-4,Pd(SO4)3-4,aq,"SS98a.3 [S98]",NA,28.Jul.94,-499900,-603950,39.4,-48.2,50.8,10.7074,18.3646,-1.4712,-3.5381,32.1909,-12.8528,5.891,-4
 HCl,HCl,HCl,aq,"MS97.2 [S98]",SLOP98.11,30.Jul.96,-30410,-42054,3.2,NA,NA,1.2547,-4.7177,7.6043,-2.584,16.7134,2.8727,-0.7,0
-AgCl,AgCl,AgCl,aq,"SSH97.1 [S98]",NA,16.Sep.97,-17450,-18270,34.1,6.7,25.24,5.2088,4.9399,3.8015,-2.9832,9.8168,-1.6698,-0.03,0
-AgCl2-,AgCl2-,AgCl2-,aq,"SSH97.1 [S98]",NA,16.Sep.97,-51560,-61130,47,7.8,54.37,9.5149,15.4544,-0.3312,-3.4178,19.185,-1.4457,0.9169,-1
-AgCl3-2,AgCl3-2,AgCl3-2,aq,"SSH97.1 [S98]",NA,2.Oct.97,-82710,-105613,44.5,10.69,86.82,14.504,27.6363,-5.1192,-3.9214,35.8339,-0.857,2.5402,-2
-AuCl,AuCl,AuCl,aq,"SSH97.1 [S98]",NA,2.Oct.97,-3184,-2140,41.47,-9.83,38.61,7.0357,9.4008,2.0481,-3.1676,0.0551,-5.0371,-0.038,0
-AuCl2-,AuCl2-,AuCl2-,aq,"SSH97.1 [S98]",NA,2.Oct.97,-36781,-44725,53.6,-24.52,69.26,11.5192,20.3482,-2.2547,-3.6201,-0.6764,-8.03,0.8173,-1
-CuCl,CuCl,CuCl,aq,"SSH97.1 [S98]",NA,2.Oct.97,-22608,-26338,22.06,19.64,17.22,4.1084,2.253,4.8575,-2.8721,17.3292,0.967,-0.038,0
-CuCl2-,CuCl2-,CuCl2-,aq,"SSH97.1 [S98]",NA,2.Oct.97,-58038,-72903,26.96,32.99,45.43,8.3943,12.7182,0.7442,-3.3047,36.7555,3.6846,1.2219,-1
+ZnCl+,ZnCl+,ZnCl+,aq,"SSH97.3 [S98]",NA,16.Sep.97,-66850,-66240,23,19.9,-1.28,1.6583,-3.7293,7.2088,-2.6248,19.6947,1.0191,0.2025,1
+ZnCl2,ZnCl2,ZnCl2,aq,"SSH97.3 [S98]",NA,16.Sep.97,-98300,-109080,27.03,34.7,24.82,5.1486,4.7929,3.8592,-2.9771,26.1528,4.0338,-0.038,0
+ZnCl3-,ZnCl3-,ZnCl3-,aq,"SSH97.3 [S98]",NA,2.Oct.97,-129310,-151060,25,41.97,53.9,9.5636,15.5732,-0.3779,-3.4227,42.2912,5.5147,1.2513,-1
+Zn(Ac)+,Zn(Ac)+,ZnCH3COO+,aq,"SSH97.4 [S98]",NA,18.Sep.97,-125660,-155120,9.4,86.2,21.52,4.8484,4.06,4.1473,-2.9468,60.4626,14.5244,0.41,1
+Zn(Ac)2,Zn(Ac)2,Zn(CH3COO)2,aq,"SSH97.4 [S98]",NA,18.Sep.97,-216450,-271500,22.47,193.3,73.02,11.7443,20.8978,-2.4707,-3.6429,119.1022,36.3407,-0.038,0
+Zn(Ac)3-,Zn(Ac)3-,Zn(CH3COO)3-,aq,"SSH97.4 [S98]",SLOP15.2,2.Jun.98,-305740,-408093,25,316.5,130.4,20.0332,41.1373,-10.4257,-4.4796,203.1827,61.4365,1.2513,-1
+AgCl,AgCl,AgCl,aq,"SSH97.3 [S98]",NA,16.Sep.97,-17450,-18270,34.1,6.7,25.24,5.2088,4.9399,3.8015,-2.9832,9.8168,-1.6698,-0.03,0
+AgCl2-,AgCl2-,AgCl2-,aq,"SSH97.3 [S98]",NA,16.Sep.97,-51560,-61130,47,7.8,54.37,9.5149,15.4544,-0.3312,-3.4178,19.185,-1.4457,0.9169,-1
+AgCl3-2,AgCl3-2,AgCl3-2,aq,"SSH97.3 [S98]",NA,2.Oct.97,-82710,-105613,44.5,10.69,86.82,14.504,27.6363,-5.1192,-3.9214,35.8339,-0.857,2.5402,-2
+AuCl,AuCl,AuCl,aq,"SSH97.3 [S98]",NA,2.Oct.97,-3184,-2140,41.47,-9.83,38.61,7.0357,9.4008,2.0481,-3.1676,0.0551,-5.0371,-0.038,0
+AuCl2-,AuCl2-,AuCl2-,aq,"SSH97.3 [S98]",NA,2.Oct.97,-36781,-44725,53.6,-24.52,69.26,11.5192,20.3482,-2.2547,-3.6201,-0.6764,-8.03,0.8173,-1
+CuCl,CuCl,CuCl,aq,"SSH97.3 [S98]",NA,2.Oct.97,-22608,-26338,22.06,19.64,17.22,4.1084,2.253,4.8575,-2.8721,17.3292,0.967,-0.038,0
+CuCl2-,CuCl2-,CuCl2-,aq,"SSH97.3 [S98]",NA,2.Oct.97,-58038,-72903,26.96,32.99,45.43,8.3943,12.7182,0.7442,-3.3047,36.7555,3.6846,1.2219,-1
 Ag(HS)2-,Ag(HS)2-,Ag(HS)2-,aq,"SSH97.1 [S98]",NA,9.Oct.97,0,-8200,44.68,38.1,60.5,10.3654,17.5311,-1.1475,-3.5037,37.2753,4.7273,0.9527,-1
 Au(HS)2-,Au(HS)2-,Au(HS)2-,aq,"SSH97.1 [S98]",NA,9.Oct.97,2429,-2509,56.77,6.06,75.39,12.342,22.3572,-3.0443,-3.7032,16.8038,-1.8007,0.7693,-1
 Ag+,Ag+,Ag+,aq,"SH88.3 [S92]",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
 Au+,Au+,Au+,aq,"SSWS97.2 [S98]",SH88.1,13.Nov.97,39000,47900,25.6,-0.3,12.5,3.5312,0.8428,5.4139,-2.8137,7.5089,-3.0956,0.1648,1
 Cu+,Cu+,Cu+,aq,"SSWS97.2 [S98]",SH88.1,13.Nov.97,11950,17132,9.7,13.7,-8,0.807,-5.804,8.0165,-2.539,17.9233,-0.2438,0.4046,1
+Zn+2,Zn+2,Zn+2,aq,"SSWS97.5 [S98]",SH88.1,07.Nov.97,-35200,-36660,-26.2,-5.33,-24.3,-1.0676,-8.929,6.1282,-2.4098,18.74,-5.37,1.4574,2
 AgOH,AgOH,AgOH,aq,"SSWS97 [S98]",NA,14.Nov.97,-21900,-31800,17.2,-10.6,3.9,2.2885,-2.1912,6.6063,-2.6883,-0.3221,-5.1937,-0.03,0
 AsO4-3,AsO4-3,AsO4-3,aq,"SSWS97.3 [S98]",NA,11.Nov.97,-154970,-212270,-38.9,-116.1,-18.7,1.0308,-5.2609,7.8091,-2.5614,-12.1352,-26.6841,5.399,-3
 HAsO4-2,HAsO4-2,HAsO4-2,aq,"SSWS97.3 [S98]",NA,11.Nov.97,-170790,-216620,-0.4,-47.5,11.3,4.3994,2.9611,4.5853,-2.9013,7.9908,-12.7102,3.2197,-2
@@ -46,11 +53,67 @@
 AlOH+2,AlOH+2,AlOH+2,aq,"SSWS97.4 [S98]",NA,13.Nov.97,-165475,-183300,-44.2,13.2,-2.2,2.0469,-2.7813,6.8376,-2.6639,29.7923,-0.3457,1.7247,2
 AlO+,AlO+,AlO+1,aq,"SSWS97.4 [S98]",NA,13.Nov.97,-158188,-170900,-27,-30,0.6,2.1705,-2.4811,6.7241,-2.6763,-2.5983,-9.1455,0.957,1
 HAlO2,HAlO2(AQ),HAlO2,aq,"SSWS97.4 [S98]",NA,13.Nov.97,-207700,-227500,5,-50,13,3.5338,0.8485,5.4132,-2.814,-23.4129,-13.2195,-0.03,0
+ZnOH+,ZnOH+,ZnOH+1,aq,"SSWS97.5 [S98]",NA,14.Nov.97,-81190,-86990,15,10,-5.3,1.1499,-4.9677,7.6896,-2.5735,15.0306,-0.9975,0.326,1
+ZnO,ZnO,ZnO,aq,"SSWS97.5 [S98]",NA,14.Nov.97,-67420,-78290,-2,-10,-21.9,-1.2418,-10.8072,9.9819,-2.3321,0.0295,-5.0715,-0.03,0
+HZnO2-,HZnO2-,HZnO2-1,aq,"SSWS97.5 [S98]",NA,14.Nov.97,-110720,-142370,-16,20,-13.4,0.5623,-6.4047,8.2588,-2.5141,35.0874,1.0394,1.8669,-1
+ZnO2-2,ZnO2-2,ZnO2-2,aq,"SSWS97.5 [S98]",NA,14.Nov.97,-93290,-132100,-40,-15,-26.4,-0.5559,-9.1347,9.3301,-2.4013,32.5837,-6.09,3.8216,-2
 Al(Ac)+2,NA,AlCH3COO+2,aq,"SK93.1 [S98]",NA,5.Apr.93,-207630,-249130,-66.1,72.2,-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,"SK93.1 [S98]",NA,5.Apr.93,-298430,-372080,-59.8,168.7,49.4,8.9971,14.1844,0.1805,-3.3653,117.86,31.3303,1.3918,1
 Al(Ac)3,NA,Al(CH3COO)3,aq,"SK93.1 [S98]",NA,5.Apr.93,-391100,-498280,-57,NA,NA,16.0545,31.4184,-6.597,-4.0777,156.5453,49.3293,-0.03,0
 Al(Mal)+,NA,AlC3H2O4+,aq,"PSK99.1 [S07]",NA,24.Aug.06,-289589,-331497,-16,-17.9,0,0,0,0,0,2.2763,-6.6807,0.7895,1
 Al(Oxal)+,NA,AlC2O4+,aq,"PSK99.1 [S07]",NA,24.Aug.06,-286615,-321675,-25.6,-25.8,0,0,0,0,0,-1.0645,-8.29,0.9437,1
+NaH2AsO4,NA,NaH2AsO4,aq,MA07,MA10,12.Sep.07,-240179,-272608,41.2,37.8,41.1,7.3772,10.2352,1.1421,-3.2022,27.9202,4.6622,-0.038,0
+KH2AsO4,NA,KH2AsO4,aq,MA07,MA10,12.Sep.07,-244935,-274352,54.5,21.9,52.4,8.9277,14.0226,-0.484,-3.3587,18.6125,1.4173,-0.038,0
+MgH2AsO4+,NA,MgH2AsO4+,aq,MA07,MA10,12.Sep.07,-290910,-332717,-10.4,50.7,18.3,4.5105,3.2335,4.1483,-2.9127,42.265,7.2899,0.7009,1
+CaH2AsO4+,NA,CaH2AsO4+,aq,MA07,MA10,12.Sep.07,-314170,-348007,18.5,45.8,22.2,4.8949,4.1724,3.7452,-2.9515,35.3597,6.2862,0.2639,1
+SrH2AsO4+,NA,SrH2AsO4+,aq,MA07,MA10,12.Sep.07,-315896,-347841,27.3,40.1,22.9,4.9488,4.3041,3.6887,-2.957,30.8142,5.1312,0.1301,1
+MnH2AsO4+,NA,MnH2AsO4+,aq,MA07,MA10,12.Sep.07,-236482,-270828,14.5,53.5,23.3,5.0617,4.5799,3.5702,-2.9684,40.4264,7.8583,0.3244,1
+FeH2AsO4+,NA,FeH2AsO4+,aq,MA07,MA10,12.Sep.07,-205693,-243719,1,44.9,17.6,4.3531,2.849,4.3134,-2.8968,37.3097,6.1166,0.5283,1
+CoH2AsO4+,NA,CoH2AsO4+,aq,MA07,MA10,12.Sep.07,-193388,-232357,-1.5,45.2,13.9,3.8628,1.6516,4.8275,-2.8473,37.7921,6.1625,0.5664,1
+NiH2AsO4+,NA,NiH2AsO4+,aq,MA07,MA10,12.Sep.07,-193146,-233785,-7.1,36.4,10,3.358,0.4185,5.3569,-2.7963,33.4496,4.375,0.6516,1
+CuH2AsO4+,NA,CuH2AsO4+,aq,MA07,MA10,12.Sep.07,-166866,-204382,4.1,49.9,14.9,3.9712,1.9164,4.7138,-2.8583,39.7683,7.1249,0.4813,1
+ZnH2AsO4+,NA,ZnH2AsO4+,aq,MA07,MA10,12.Sep.07,-215927,-255372,-0.3,50.7,15.3,4.0397,2.0836,4.642,-2.8652,40.8741,7.2945,0.5485,1
+PbH2AsO4+,NA,PbH2AsO4+,aq,MA07,MA10,12.Sep.07,-187896,-215577,44.7,34.1,25,5.1359,4.7611,3.4924,-2.9759,24.9084,3.9167,-0.1328,1
+AlH2AsO4+2,NA,AlH2AsO4+2,aq,MA07,MA10,12.Sep.07,-299978,-350717,-57,34.9,-7.1,1.4491,-4.244,7.3587,-2.6036,44.5413,4.0694,1.9508,2
+FeH2AsO4+2,NA,FeH2AsO4+2,aq,MA07,MA10,12.Sep.07,-189949,-235535,-39.9,66.2,1.1,2.4901,-1.7013,6.267,-2.7087,60.4374,10.4402,1.6927,2
+NaHAsO4-,NA,NaHAsO4-,aq,MA07,MA10,12.Sep.07,-234025,-272938,19.4,11,16.4,4.464,3.12,4.197,-2.908,24.8601,-0.79,1.3274,-1
+KHAsO4-,NA,KHAsO4-,aq,MA07,MA10,12.Sep.07,-238754,-275247,30.7,3.9,26.1,5.7282,6.2078,2.8713,-3.0357,19.1455,-2.2322,1.1561,-1
+MgHAsO4,NA,MgHAsO4,aq,MA07,MA10,12.Sep.07,-282655,-326456,-17.1,-3.4,-0.5,1.6885,-3.6591,7.1076,-2.6278,3.8675,-3.7233,-0.038,0
+CaHAsO4,NA,CaHAsO4,aq,MA07,MA10,12.Sep.07,-306038,-344341,3.5,-5.6,2,2.0228,-2.8426,6.757,-2.6615,2.5879,-4.1694,-0.038,0
+SrHAsO4,NA,SrHAsO4,aq,MA07,MA10,12.Sep.07,-307750,-344917,9.8,-8.1,2.4,2.0851,-2.6905,6.6917,-2.6678,1.1155,-4.6827,-0.038,0
+MnHAsO4,NA,MnHAsO4,aq,MA07,MA10,12.Sep.07,-229564,-268033,0.7,-2.1,2.7,2.1148,-2.618,6.6606,-2.6708,4.592,-3.4707,-0.038,0
+FeHAsO4,NA,FeHAsO4,aq,MA07,MA10,12.Sep.07,-196961,-237958,-8.9,-5.9,-0.9,1.6263,-3.8112,7.1729,-2.6215,2.3717,-4.2448,-0.038,0
+CoHAsO4,NA,CoHAsO4,aq,MA07,MA10,12.Sep.07,-187516,-229240,-10.7,-5.8,-3.2,1.3102,-4.5832,7.5044,-2.5896,2.4302,-4.2244,-0.038,0
+NiHAsO4,NA,NiHAsO4,aq,MA07,MA10,12.Sep.07,-185083,-227995,-14.7,-9.7,-5.7,0.9749,-5.4021,7.8559,-2.5557,0.1514,-5.0188,-0.038,0
+CuHAsO4,NA,CuHAsO4,aq,MA07,MA10,12.Sep.07,-160044,-200797,-6.7,-3.7,-2.6,1.3964,-4.3727,7.414,-2.5983,3.6572,-3.7966,-0.038,0
+ZnHAsO4,NA,ZnHAsO4,aq,MA07,MA10,12.Sep.07,-209827,-252128,-9.9,-3.4,-2.4,1.4251,-4.3025,7.3838,-2.6012,3.8733,-3.7213,-0.038,0
+PbHAsO4,NA,PbHAsO4,aq,MA07,MA10,12.Sep.07,-180119,-214509,22.2,-10.7,3.7,2.2585,-2.267,6.5099,-2.6853,-0.4328,-5.2225,-0.038,0
+AlHAsO4+,NA,AlHAsO4+,aq,MA07,MA10,12.Sep.07,-295884,-343378,-46.1,-37.3,-8.2,1.0572,-5.2011,7.7697,-2.564,-4.1613,-10.6336,1.242,1
+FeHAsO4+,NA,FeHAsO4+,aq,MA07,MA10,12.Sep.07,-188188,-232211,-34.7,-23.4,-4.9,1.4545,-4.2306,7.353,-2.6042,2.37,-7.8022,1.0694,1
+NaAsO4-2,NA,NaAsO4-2,aq,MA07,MA10,12.Sep.07,-223700,-253943,48.5,-38.4,-17,0.2824,-7.0935,8.5822,-2.4858,6.8433,-10.8648,2.5085,-2
+KAsO4-2,NA,KAsO4-2,aq,MA07,MA10,12.Sep.07,-228428,-249049,84,-45.5,-9.64,1.1121,-5.0669,7.712,-2.5696,-2.2416,-12.307,1.9714,-2
+MgAsO4-,NA,MgAsO4-,aq,MA07,MA10,12.Sep.07,-271474,-307316,9.64,-55,-25.98,-1.3284,-11.0278,10.2713,-2.3232,-12.33,-14.2311,1.3662,-1
+CaAsO4-,NA,CaAsO4-,aq,MA07,MA10,12.Sep.07,-294913,-323114,37.4,-57.2,-25.5,-1.3685,-11.1259,10.3134,-2.3191,-17.4821,-14.6772,1.0531,-1
+SrAsO4-,NA,SrAsO4-,aq,MA07,MA10,12.Sep.07,-296243,-323239,43.9,-59.7,-25.41,-1.3889,-11.1758,10.3349,-2.317,-19.8655,-15.1905,0.9562,-1
+MnAsO4-,NA,MnAsO4-,aq,MA07,MA10,12.Sep.07,-218289,-247805,30.7,-53.7,-25.37,-1.2541,-10.8464,10.1934,-2.3307,-14.5434,-13.9785,1.339,-1
+FeAsO4-,NA,FeAsO4-,aq,MA07,MA10,12.Sep.07,-186668,-218541,21.7,-57.5,-26.07,-1.3653,-11.1181,10.3101,-2.3194,-15.504,-14.7525,1.2932,-1
+CoAsO4-,NA,CoAsO4-,aq,MA07,MA10,12.Sep.07,-177190,-210481,17.6,-57.4,-26.53,-1.4073,-11.2205,10.3541,-2.3152,-14.8722,-14.7322,1.3555,-1
+NiAsO4-,NA,NiAsO4-,aq,MA07,MA10,12.Sep.07,-176304,-211320,11.8,-61.3,-27.01,-1.4432,-11.3083,10.3918,-2.3116,-16.3404,-15.5266,1.4434,-1
+CuAsO4-,NA,CuAsO4-,aq,MA07,MA10,12.Sep.07,-151743,-183607,23.1,-55.3,-26.4,-1.4178,-11.2463,10.3651,-2.3141,-14.418,-14.3044,1.2716,-1
+ZnAsO4-,NA,ZnAsO4-,aq,MA07,MA10,12.Sep.07,-200121,-233853,18.9,-55,-26.36,-1.3907,-11.1799,10.3366,-2.3169,-13.6104,-14.229,1.3358,-1
+PbAsO4-,NA,PbAsO4-,aq,MA07,MA10,12.Sep.07,-169793,-194437,54.9,-62.3,-25.16,-1.4108,-11.2291,10.3577,-2.3148,-22.9414,-15.7303,0.7904,-1
+AlAsO4,NA,AlAsO4,aq,MA07,MA10,12.Sep.07,-285558,-330011,-35.9,-60.2,-9.75,0.418,-6.7624,8.44,-2.4995,-29.3427,-15.3014,-0.038,0
+FeAsO4,NA,FeAsO4,aq,MA07,MA10,12.Sep.07,-177862,-218546,-23.5,-84.8,-13.09,-0.0391,-7.8787,8.9193,-2.4533,-43.7161,-20.3124,-0.038,0
+NaH2AsO3,NA,NaH2AsO3,aq,MA07,MA10,12.Sep.07,-203270,-228832,39.7,28.4,32.7,6.2236,7.4178,2.3518,-3.0857,22.4338,2.7495,-0.038,0
+AgH2AsO3,NA,AgH2AsO3,aq,MA07,MA10,12.Sep.07,-123526,-147071,44.3,25.8,33,6.2709,7.5332,2.3022,-3.0905,20.9088,2.2178,-0.038,0
+MgH2AsO3+,NA,MgH2AsO3+,aq,MA07,MA10,12.Sep.07,-251410,-286183,-11.3,41.3,9.9,3.3617,0.4276,5.353,-2.7967,36.9078,5.3772,0.7149,1
+CaH2AsO3+,NA,CaH2AsO3+,aq,MA07,MA10,12.Sep.07,-274922,-301872,17.1,36.4,13.8,3.7486,1.3726,4.9473,-2.8358,30.0706,4.3735,0.2853,1
+SrH2AsO3+,NA,SrH2AsO3+,aq,MA07,MA10,12.Sep.07,-275601,-300702,25.8,30.7,14.5,3.8032,1.506,4.89,-2.8413,25.5459,3.2185,0.1538,1
+BaH2AsO3+,NA,BaH2AsO3+,aq,MA07,MA10,12.Sep.07,-276315,-297936,40.1,25.6,19.9,4.4634,3.1185,4.1977,-2.908,20.5926,2.1872,-0.0628,1
+CuH2AsO3+,NA,CuH2AsO3+,aq,MA07,MA10,12.Sep.07,-134368,-164924,3,40.5,6.5,2.8237,-0.8865,5.9172,-2.7424,34.4453,5.2122,0.499,1
+PbH2AsO3+,NA,PbH2AsO3+,aq,MA07,MA10,12.Sep.07,-153138,-174063,42.8,24.7,16.5,3.9918,1.9667,4.6922,-2.8603,19.6811,2.0039,-0.1047,1
+AlH2AsO3+2,NA,AlH2AsO3+2,aq,MA07,MA10,12.Sep.07,-266611,-309612,-55.5,25.5,-15.6,0.2882,-7.0795,8.5761,-2.4864,38.8545,2.1567,1.929,2
+FeH2AsO3+2,NA,FeH2AsO3+2,aq,MA07,MA10,12.Sep.07,-154392,-192413,-39.1,56.8,-7.3,1.3321,-4.5295,7.4813,-2.5918,54.8314,8.5274,1.6797,2
 PdCl+,PdCl+,PdCl+,aq,"SS98a.3 [S98]",NA,16.Aug.15,3310,-3820,-3.9,21,5.1,2.6729,-1.2577,6.2503,-2.7269,24.1532,1.2501,0.6143,1
 PdCl2,PdCl2,PdCl2,aq,"SS98a.3 [S98]",NA,16.Aug.15,-34080,-51390,4.2,37.8,32.4,6.1933,7.3404,2.8664,-3.0824,28.0429,4.665,-0.03,0
 PdCl3-,PdCl3-,PdCl3-,aq,"SS98a.3 [S98]",NA,16.Aug.15,-68390,-98890,2.5,44.6,62.9,10.9057,18.8497,-1.6645,-3.5581,46.9452,6.0491,1.5895,-1

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-24 13:48:00 UTC (rev 410)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-24 22:46:53 UTC (rev 411)
@@ -1,4 +1,4 @@
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-ß‘‘D£’¦¿î(´ùÉYò¡5'Ï(;^Ê{Nü¡mO,,‰·|Ój f6¬Y%gv%¾Mø3Á4DºÓùr Ožc(¬ŠTÊ"í¸DˆmHFµ„ꢄÛÄGVÜ·Cê;ƒÃÃ@¥¼„©>í8_„M'NHÔ=Y«¢XR⊻¨~t/!éåzBZx6ŠkÆý¶#HlÈ0RúÍŽ/t„{r8¾Ý7"àîðƒ
[TRUNCATED]

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    svnlook diff /svnroot/chnosz -r 411

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