[CHNOSZ-commits] r549 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT vignettes

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Mon Jul 6 17:39:06 CEST 2020 

Author: jedick
Date: 2020-07-06 17:39:06 +0200 (Mon, 06 Jul 2020)
New Revision: 549

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
   pkg/CHNOSZ/vignettes/OBIGT.Rmd
   pkg/CHNOSZ/vignettes/OBIGT.bib
Log:
OBIGT/SUPCRT92.csv: Add GHS for some minerals from Robie and Hemingway, 1995


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/DESCRIPTION	2020-07-06 15:39:06 UTC (rev 549)
@@ -1,6 +1,6 @@
 Date: 2020-07-06
 Package: CHNOSZ
-Version: 1.3.6-23
+Version: 1.3.6-24
 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	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/inst/NEWS	2020-07-06 15:39:06 UTC (rev 549)
@@ -35,6 +35,10 @@
 - Remove old data file suffixes in references (e.g. [S92] was used to
   indicate that the data first appeared in SUPCRT92).
 
+- Add GHS for almandine, dickite, fluorphlogopite, glaucophane,
+  grunerite, larnite, pyrope (SUPCRT92.csv) and bromellite
+  (inorganic_cr.csv) from Robie and Hemingway, 1995.
+
 DEMOS AND VIGNETTES
 
 - Add demo/comproportionation.R: Gibbs energy of sulfur

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2020-07-06 15:39:06 UTC (rev 549)
@@ -8,8 +8,8 @@
 "albite,high",Hi-Ab,NaAlSi3O8,cr,HDNB78,NA,5.May.78,cal,-884509,-937050,52.3,NA,100.43,61.7,13.9,-15.01,0,0,0,0,623
 "albite,high",Hi-Ab,NaAlSi3O8,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-884768.678,NA,50.4797,NA,100.43,64.17,13.9,-15.01,0,0,0,0,1400
 "albite,low",Lo-Ab,Na(AlSi3)O8,cr,HDNB78,NA,5.May.78,cal,-886308,-939680,49.51,NA,100.07,61.7,13.9,-15.01,0,0,0,0,1400
-almandine,Alm,Fe3Al2Si3O12,cr,HDNB78,NA,5.May.78,cal,NA,NA,75.6,NA,115.28,97.52,33.64,-18.73,0,0,0,0,848
-almandine,Alm,Fe3Al2Si3O12,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-11.741,NA,71.93,NA,115.28,107.09,14.86,-10.63,0,0,0,0,1600
+almandine,Alm,Fe3Al2Si3O12,cr,HDNB78,RH95.3,06.Jul.20,cal,-1181142,-1258293,81.88,NA,115.28,97.52,33.64,-18.73,0,0,0,0,848
+almandine,Alm,Fe3Al2Si3O12,cr2,HDNB78,CHNOSZ.1,06.Jul.20,cal,-1181153.741,NA,78.21,NA,115.28,107.09,14.86,-10.63,0,0,0,0,1600
 alunite,Alu,KAl3(OH)6(SO4)2,cr,HDNB78,NA,5.May.78,cal,-1113600,-1235600,78.4,NA,293.6,153.45,0,-54.95,0,0,0,0,650
 "amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr,HDNB78,NA,5.May.78,cal,NA,NA,108.9,NA,205.4,172.59,34.98,-41.67,0,0,0,0,848
 "amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,3.895,NA,110.1233,NA,205.4,169.4,41.24,-44.37,0,0,0,0,1000
@@ -59,7 +59,7 @@
 "daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,5.May.78,cal,NA,NA,138.9,NA,221.2,172.53,52.28,-37.23,0,0,0,0,848
 "daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,3.159,NA,137.726,NA,221.2,175.72,46.02,-34.63,0,0,0,0,1000
 diaspore,Dsp,AlO(OH),cr,HDNB78,NA,5.May.78,cal,-218402,-237170,8.43,NA,17.76,14.435,4.2,0,0,0,0,0,500
-dickite,Dck,Al2Si2O5(OH)4,cr,HDNB78,RHF78.1,5.May.78,cal,NA,NA,47.1,NA,99.3,72.77,29.2,-21.52,0,0,0,0,1000
+dickite,Dck,Al2Si2O5(OH)4,cr,HDNB78,RH95.3,06.Jul.20,cal,-907266,-984345,47.11,NA,99.3,72.77,29.2,-21.52,0,0,0,0,1000
 diopside,Di,CaMg(SiO3)2,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-723780,-765378,34.2,NA,66.09,52.87,7.84,-15.74,0,0,0,0,1600
 dolomite,Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-517760,-556631,37.09,NA,64.365,41.557,23.952,-9.884,0,0,0,0,1000
 "dolomite,disordered",Dis-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-515653,-553704,39.84,NA,64.39,44.711,17.779,-10.948,0,0,0,0,1000
@@ -86,15 +86,15 @@
 fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr,HDNB78,NA,5.May.78,cal,NA,NA,146.7,NA,272.5,195.23,46.74,-44.92,0,0,0,0,848
 fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-3.895,NA,145.4767,NA,272.5,198.42,40.48,-42.22,0,0,0,0,1000
 fluorite,Fl,CaF2,cr,HDNB78,NA,5.May.78,cal,-280493,-293000,16.39,NA,24.542,14.3,7.28,0.47,0,0,0,0,1424
-fluorphlogopite,F-Phl,KMg3(AlSi3)O10(F)2,cr,HDNB78,RHF78.1,5.May.78,cal,NA,NA,80.38,NA,146.37,96.13,26.74,-20.41,0,0,0,0,1000
+fluorphlogopite,F-Phl,KMg3(AlSi3)O10(F)2,cr,HDNB78,RH95.4,06.Jul.20,cal,-1437787,-1519001,80.38,NA,146.37,96.13,26.74,-20.41,0,0,0,0,1000
 fluortremolite,F-Tr,(Ca2Mg5)Si8O22(F)2,cr,HDNB78,NA,5.May.78,cal,NA,NA,129.4,NA,270.45,183.74,55.25,-43.73,0,0,0,0,800
 forsterite,Fo,Mg2SiO4,cr,HDNB78,NA,5.May.78,cal,-491564,-520000,22.75,NA,43.79,35.81,6.54,-8.52,0,0,0,0,1800
 gehlenite,Gh,Ca2(Al2Si)O7,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-903148,-951225,48.1,NA,90.24,63.74,8,-15.12,0,0,0,0,1800
 gibbsite,Gbs,Al(OH)3,cr,HDNB78,NA,5.May.78,cal,-276168,-309065,16.75,NA,31.956,8.65,45.6,0,0,0,0,0,425
-glaucophane,Gln,Na2(Mg3Al2)Si8O22(OH)2,cr,HDNB78,NA,5.May.78,cal,NA,NA,130,NA,269.7,190.26,59.36,-50.01,0,0,0,0,800
+glaucophane,Gln,Na2(Mg3Al2)Si8O22(OH)2,cr,HDNB78,RH95.3,06.Jul.20,cal,-2684226,-2859465,129.35,NA,269.7,190.26,59.36,-50.01,0,0,0,0,800
 greenalite,Grn,Fe3Si2O5(OH)4,cr,HDNB78,NA,5.May.78,cal,-715340,-644110,72.6,NA,115,81.65,32.6,-15.39,0,0,0,0,1000
 grossular,Grs,Ca3Al2Si3O12,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-1496307,-1582737,60.87,NA,125.3,104.017,17.013,-27.318,0,0,0,0,1000
-grunerite,Gru,Fe7Si8O22(OH)2,cr,HDNB78,NA,5.May.78,cal,NA,NA,163.3,NA,256.67,198.83,60.93,-39.55,0,0,0,0,800
+grunerite,Gru,Fe7Si8O22(OH)2,cr,HDNB78,RH95.3,06.Jul.20,cal,-2142639,-2299952,173.28,NA,256.67,198.83,60.93,-39.55,0,0,0,0,800
 halloysite,Hal,Al2Si2O5(OH)4,cr,HDNB78,RHF78.1,5.May.78,cal,NA,NA,48.52,NA,99.3,72.77,29.2,-21.52,0,0,0,0,1000
 hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr,HDNB78,NA,5.May.78,cal,NA,NA,189.2,NA,280.3,211.57,50.88,-44.88,0,0,0,0,950
 hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-79.315,NA,187.1167,NA,280.3,217.82,41.58,-43.1,0,0,0,0,1050
@@ -113,9 +113,9 @@
 kalsilite,Kls,K(AlSi)O4,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-482526.312,-512142.073,25.2837,NA,59.89,42.5,0,0,0,0,0,0,1800
 kaolinite,Kln,Al2Si2O5(OH)4,cr,HDNB78,NA,5.May.78,cal,-905614,-982221,48.53,NA,99.52,72.77,29.2,-21.52,0,0,0,0,1000
 kyanite,Ky,Al2SiO5,cr,HDNB78,NA,5.May.78,cal,-580956,-616897,20,NA,44.09,41.393132,6.816463,-12.882104,0,0,0,0,466
-larnite,Lrn,Ca2SiO4,cr,HDNB78,Kel60.1,5.May.78,cal,NA,NA,30.5,NA,51.6,34.87,9.74,-6.26,0,0,0,0,970
-larnite,Lrn,Ca2SiO4,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,379.765,NA,30.1022,NA,51.6,32.16,11.02,0,0,0,0,0,1710
-larnite,Lrn,Ca2SiO4,cr3,HDNB78,CHNOSZ.1,5.May.78,cal,-844.027,NA,18.2296,NA,51.6,49,0,0,0,0,0,0,2000
+larnite,Lrn,Ca2SiO4,cr,HDNB78,RH95.5,06.Jul.20,cal,-523709,-551315,30.5,NA,51.6,34.87,9.74,-6.26,0,0,0,0,970
+larnite,Lrn,Ca2SiO4,cr2,HDNB78,CHNOSZ.1,06.Jul.20,cal,-523329.235,NA,30.1022,NA,51.6,32.16,11.02,0,0,0,0,0,1710
+larnite,Lrn,Ca2SiO4,cr3,HDNB78,CHNOSZ.1,06.Jul.20,cal,-524553.027,NA,18.2296,NA,51.6,49,0,0,0,0,0,0,2000
 laumontite,lamt,Ca(Al2Si4)O12*4H2O,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-1596823,-1728664,116.1,NA,207.55,123.2,44.47,-16.43,0,0,0,0,1000
 lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-1073408,-1158104,55.8,NA,101.32,81.8,23.36,-16.26,0,0,0,0,848
 lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-1073411.895,NA,54.5767,NA,101.32,84.99,17.1,-13.56,0,0,0,0,1000
@@ -152,8 +152,8 @@
 phlogopite,Phl,KMg3(AlSi3)O10(OH)2,cr,HDNB78,NA,5.May.78,cal,-1396187,-1488067,76.1,NA,149.66,100.61,28.78,-21.5,0,0,0,0,1000
 prehnite,Prh,Ca2Al2Si3O10(OH)2,cr,HDNB78,SPRONS92.2,15.Mar.90,cal,-1390097,-1481649,65,NA,140.33,91.6,37.82,-19.6,0,0,0,0,848
 prehnite,Prh,Ca2Al2Si3O10(OH)2,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-1390108.741,NA,61.33,NA,140.33,101.17,19.04,-11.5,0,0,0,0,1000
-pyrope,Prp,Mg3Al2Si3O12,cr,HDNB78,RHF78.1,5.May.78,cal,NA,NA,62.3,NA,113.27,91.69,32.64,-20.92,0,0,0,0,848
-pyrope,Prp,Mg3Al2Si3O12,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-11.741,NA,58.63,NA,113.27,101.26,13.86,-12.82,0,0,0,0,1800
+pyrope,Prp,Mg3Al2Si3O12,cr,HDNB78,RH95.3,06.Jul.20,cal,-1418380,-1502151,63.64,NA,113.27,91.69,32.64,-20.92,0,0,0,0,848
+pyrope,Prp,Mg3Al2Si3O12,cr2,HDNB78,CHNOSZ.1,06.Jul.20,cal,-1418391.741,NA,59.97,NA,113.27,101.26,13.86,-12.82,0,0,0,0,1800
 pyrophyllite,Prl,Al2Si4O10(OH)2,cr,HDNB78,NA,5.May.78,cal,-1255997,-1345313,57.2,NA,126.6,79.432,39.214,-17.282,0,0,0,0,800
 quartz,Qtz,SiO2,cr,HDNB78,NA,5.May.78,cal,-204646,-217650,9.88,NA,22.688,11.22,8.2,-2.7,0,0,0,0,848
 quartz,Qtz,SiO2,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-204461.901,-217728.651,8.9986,NA,23.06,14.41,1.94,0,0,0,0,0,2000

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv	2020-07-06 15:39:06 UTC (rev 549)
@@ -14,7 +14,7 @@
 bunsenite,Bsn,NiO,cr,HDNB78,NA,5.May.78,cal,-50573,-57300,9.08,NA,10.97,-4.99,37.58,3.89,0,0,0,0,525
 bunsenite,Bsn,NiO,cr2,HDNB78,CHNOSZ.1,5.May.78,cal,-50581.657,-57508.213,8.4107,NA,10.97,13.88,0,0,0,0,0,0,565
 bunsenite,Bsn,NiO,cr3,HDNB78,CHNOSZ.1,5.May.78,cal,-50447.661,-57020.353,9.5976,NA,10.97,11.18,2.02,0,0,0,0,0,2000
-bromellite,Brm,BeO,cr,HDNB78,NA,5.May.78,cal,NA,NA,3.38,NA,8.309,8.45,4,-3.17,0,0,0,0,1200
+bromellite,Brm,BeO,cr,HDNB78,RH95.6,06.Jul.20,cal,-138647,-145650,3.29,NA,8.309,8.45,4,-3.17,0,0,0,0,1200
 celestite,Cls,SrSO4,cr,RA87,HDNB78.2,15.Jan.19,cal,-321736.8,-348671.3,28.66216,NA,46.25,21.8,13.3,0,0,0,0,0,1500
 cerussite,Cer,PbCO3,cr,HDNB78,NA,5.May.78,cal,-150370,-168000,31.3,NA,40.59,12.39,28.6,0,0,0,0,0,800
 chalcocite,Cct,Cu2S,cr,HDNB78,NA,5.May.78,cal,-20626,-19000,28.9,NA,27.48,12.63,18.82,0,0,0,0,0,376

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv	2020-07-06 15:39:06 UTC (rev 549)
@@ -1,6 +1,5 @@
 key,author,year,citation,note,URL
 Kel60,"K. K. Kelley",1960,"U. S. Bureau of Mines Bull. 584","gases Cp",http://www.worldcat.org/oclc/693388901
-Kel60.1,"K. K. Kelley",1960,"U. S. Bureau of Mines Bull. 584","larnite Cp",http://www.worldcat.org/oclc/693388901
 Kel60.2,"K. K. Kelley",1960,"U. S. Bureau of Mines Bull. 584","iron Cp",http://www.worldcat.org/oclc/693388901
 Kel60.3,"K. K. Kelley",1960,"U. S. Bureau of Mines Bull. 584","gypsum Cp",http://www.worldcat.org/oclc/693388901
 Pan70,"L. B. Pankratz",1970,"U. S. Bureau of Mines Report of Investigations 7430",chlorargyrite,http://www.worldcat.org/oclc/14154245
@@ -11,7 +10,7 @@
 HDNB78.1,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","litharge S, V, and Cp parameters",http://www.worldcat.org/oclc/13594862
 HDNB78.2,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","celestite V and Cp parameters",http://www.worldcat.org/oclc/13594862
 RHF78,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452",chlorargyrite,http://pubs.er.usgs.gov/publication/b1452
-RHF78.1,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","dickite, fluorphlogopite, halloysite, and pyrope",http://pubs.er.usgs.gov/publication/b1452
+RHF78.1,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","halloysite",http://pubs.er.usgs.gov/publication/b1452
 RHF78.2,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452",iron,http://pubs.er.usgs.gov/publication/b1452
 RHF78.3,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","gibbsite GHS",http://pubs.er.usgs.gov/publication/b1452
 RHF78.4,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452","rutile and titanite",http://pubs.er.usgs.gov/publication/b1452
@@ -64,6 +63,10 @@
 RH95,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","gypsum GHS",http://pubs.er.usgs.gov/publication/b2131
 RH95.1,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","hydrogen fluoride and hydrogen chloride",http://pubs.er.usgs.gov/publication/b2131
 RH95.2,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","dawsonite: Cp coefficients corrected in @TKSS14; Cp value at 25 °C from @BPAH07, citing @FSR76",http://pubs.er.usgs.gov/publication/b2131
+RH95.3,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","almandine, dickite, glaucophane, grunerite, pyrope (G and H not in SUPCRT92)",http://pubs.er.usgs.gov/publication/b2131
+RH95.4,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","fluorphlogopite (Al/Si disordered) (G and H not in SUPCRT92)",http://pubs.er.usgs.gov/publication/b2131
+RH95.5,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","larnite (G and H not in SUPCRT92); Cp from @Kel60",http://pubs.er.usgs.gov/publication/b2131
+RH95.6,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","bromellite (G and H not in SUPCRT92)",http://pubs.er.usgs.gov/publication/b2131
 SK95,"E. L. Shock and C. M. Koretsky",1995,"Geochim. Cosmochim. Acta 59, 1497-1532","metal-organic acid complexes",https://doi.org/10.1016/0016-7037(95)00058-8
 SK95.1,"E. L. Shock and C. M. Koretsky",1995,"Geochim. Cosmochim. Acta 59, 1497-1532","alanate, glycinate and their complexes with metals. Values are taken from slop98.dat, which notes corrected values for some species.",https://doi.org/10.1016/0016-7037(95)00058-8
 Sho95,"E. L. Shock",1995,"Am. J. Sci. 295, 496-580","carboxylic acids",https://doi.org/10.2475/ajs.295.5.496

Modified: pkg/CHNOSZ/vignettes/OBIGT.Rmd
===================================================================
--- pkg/CHNOSZ/vignettes/OBIGT.Rmd	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/vignettes/OBIGT.Rmd	2020-07-06 15:39:06 UTC (rev 549)
@@ -10,7 +10,7 @@
 bibliography: OBIGT.bib
 # so that these appear in the bibliography
 nocite: | 
-  @SPRONS92, @SLOP98, @SLOP07, @SLOP16, @CHNOSZ, @JOH92, @WP02, @CWM89, @PRPG97, @TH88, @Kul06, @Sho09, @HP11
+  @SPRONS92, @SLOP98, @SLOP07, @SLOP16, @CHNOSZ, @JOH92, @WP02, @CWM89, @PRPG97, @TH88, @Kul06, @Sho09, @HKF81
 csl: elementa.csl
 ---
 <style>
@@ -192,11 +192,13 @@
 This vignette, produced on `r Sys.Date()`, lists the references for thermodynamic data in the OBIGT database in CHNOSZ version `r sessionInfo()$otherPkgs$CHNOSZ$Version`.
 Except for Optional Data, all data are present in the default database, which is loaded when the package is attached, or by running `reset()` or `OBIGT()`.
 
-Each button below corresponds to one of the CSV data files in the `extdata/OBIGT` package directory.
-Clicking on a button opens a list of primary citations (`ref1` in `thermo()$OBIGT`) in chronological order; any secondary citations (`ref2`) are listed with bullet points.
-Each citation is followed by the number of species, and a note taken from `thermo()$refs`.
+Each section below corresponds to one of the CSV data files in the `extdata/OBIGT` package directory.
+Clicking on a button opens that section, which contains a list of primary references (from column `ref1` in the file) in chronological order.
+Any secondary references (`ref2`) are listed with bullet points under the primary reference.
+Each citation is followed by the number of species, and a note taken from the file `extdata/OBIGT/refs.csv`.
+Additional comments (from this vignette) are present for some sections.
 
-Abbreviations: Cp (heat capacity), GHS (standard Gibbs energy, enthalpy, entropy), HKF (Helgeson-Kirkham-Flowers equations), V (volume), T (temperature), P (pressure).
+Abbreviations: T (temperature), P (pressure), GHS (standard Gibbs energy, enthalpy, entropy), Cp (heat capacity), V (volume), HKF (<abbr title="Tanger and Helgeson, 1988">revised</abbr> <abbr title="Helgeson et al., 1981">Helgeson-Kirkham-Flowers</abbr> equations).
 
 <!-- All buttons at top -->
 
@@ -389,8 +391,7 @@
 *Press a button above to show the citations in that data file.*
 *Or, <a href = "#showall" onclick='OpenAllDivs()'>press here</a> to show all citations.*
 
-### Total count of species
-References were found for `r length(used)` of `r nrow(thermo()$OBIGT)` species in the default OBIGT database and `r length(optused)` optional species.
+<b>Total count of species</b>: References were found for `r length(used)` of `r nrow(thermo()$OBIGT)` species in the default OBIGT database and `r length(optused)` optional species.
 </div>
 
 # References

Modified: pkg/CHNOSZ/vignettes/OBIGT.bib
===================================================================
--- pkg/CHNOSZ/vignettes/OBIGT.bib	2020-07-06 14:00:37 UTC (rev 548)
+++ pkg/CHNOSZ/vignettes/OBIGT.bib	2020-07-06 15:39:06 UTC (rev 549)
@@ -221,6 +221,18 @@
   url       = {http://www.worldcat.org/oclc/13594862},
 }
 
+ at Article{HKF81,
+  author     = {Helgeson, Harold C. and Kirkham, David H. and Flowers, George C.},
+  journal    = {American Journal of Science},
+  title      = {{T}heoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: {IV}. {C}alculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°{C} and 5 {K}b},
+  year       = {1981},
+  number     = {10},
+  pages      = {1249--1516},
+  volume     = {281},
+  doi        = {10.2475/ajs.281.10.1249},
+  size       = {268 p.},
+}
+
 @Article{HOKR98,
   author    = {Helgeson, Harold C. and Owens, Christine E. and Knox, Annette M. and Richard, Laurent},
   journal   = {Geochimica et Cosmochimica Acta},

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