[CHNOSZ-commits] r179 - in pkg/CHNOSZ: . R data inst inst/extdata inst/extdata/OBIGT inst/extdata/supcrt man vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Thu Mar 2 14:42:26 CET 2017
Author: jedick
Date: 2017-03-02 14:42:25 +0100 (Thu, 02 Mar 2017)
New Revision: 179
Added:
pkg/CHNOSZ/inst/extdata/supcrt/
pkg/CHNOSZ/inst/extdata/supcrt/compare.R
pkg/CHNOSZ/inst/extdata/supcrt/newnames.csv
pkg/CHNOSZ/inst/extdata/supcrt/read.supcrt.R
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/R/util.misc.R
pkg/CHNOSZ/data/refs.csv
pkg/CHNOSZ/inst/NEWS
pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.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/man/extdata.Rd
pkg/CHNOSZ/vignettes/obigt.Rmd
pkg/CHNOSZ/vignettes/obigt.bib
Log:
obigt.Rmd: document slop98.dat additions
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/DESCRIPTION 2017-03-02 13:42:25 UTC (rev 179)
@@ -1,6 +1,6 @@
-Date: 2017-03-01
+Date: 2017-03-02
Package: CHNOSZ
-Version: 1.0.8-68
+Version: 1.0.8-69
Title: Chemical Thermodynamics and Activity Diagrams
Author: Jeffrey Dick
Maintainer: Jeffrey Dick <j3ffdick at gmail.com>
Modified: pkg/CHNOSZ/R/util.misc.R
===================================================================
--- pkg/CHNOSZ/R/util.misc.R 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/R/util.misc.R 2017-03-02 13:42:25 UTC (rev 179)
@@ -45,6 +45,8 @@
if(thisinfo$state!=thiscr | thisinfo$name!=name) stop(paste("species", thisis, "is not", name, thiscr))
# if we're above cr1, calculate the equivalent GHS at Tr
if(i > 1) {
+ # set the starting GHS to 0 (in case they're NA - we only need the increments over temperature)
+ thisinfo$G <- thisinfo$H <- thisinfo$S <- 0
# the HS increments from 298.15 to Ttr
HSinc <- cgl(c("H", "S"), T=c(298.15, Ttr), ghs=thisinfo, eos=thisinfo)
Hf_Tr <- c(Hf_Tr, Hf - diff(HSinc[[1]]$H))
Modified: pkg/CHNOSZ/data/refs.csv
===================================================================
--- pkg/CHNOSZ/data/refs.csv 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/data/refs.csv 2017-03-02 13:42:25 UTC (rev 179)
@@ -1,13 +1,15 @@
key,author,year,note,citation,URL
Kel60,"K. K. Kelley",1960,"gases Cp","U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
-Kel60.1,"K. K. Kelley",1960,larnite,"U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
-Kel60.2,"K. K. Kelley",1960,"gypsum Cp","U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
+Kel60.1,"K. K. Kelley",1960,larnite Cp,"U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
+Kel60.2,"K. K. Kelley",1960,"iron Cp","U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
+Kel60.3,"K. K. Kelley",1960,"gypsum Cp","U. S. Bureau of Mines Bull. 584",http://www.worldcat.org/oclc/693388901
Pan70,"L. B. Pankratz",1970,chlorargyrite,"U. S. Bureau of Mines Report of Investigations 7430",http://www.worldcat.org/oclc/14154245
PK70,"L. B. Pankratz and E. G. King",1970,"bornite and chalcopyrite","U. S. Bureau of Mines Report of Investigations 7435",http://www.worldcat.org/oclc/14154292
HDNB78,"H. C. Helgeson, J. M. Delany et al.",1978,"minerals and phase transitions","Am. J. Sci. 278A, 1-229",http://www.worldcat.org/oclc/13594862
HDNB78.1,"H. C. Helgeson, J. M. Delany et al.",1978,"litharge S, V, and Cp parameters","Am. J. Sci. 278A, 1-229",http://www.worldcat.org/oclc/13594862
RHF79,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1979,"chlorargyrite, rutile, and titanite","U. S. Geological Survey Bull. 1452",http://pubs.er.usgs.gov/publication/b1452
RHF79.1,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1979,"dickite, fluorphlogopite, halloysite, and pyrope","U. S. Geological Survey Bull. 1452",http://pubs.er.usgs.gov/publication/b1452
+RHF79.2,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1979,"iron","U. S. Geological Survey Bull. 1452",http://pubs.er.usgs.gov/publication/b1452
PB82,"L. N. Plummer and E. Busenberg",1982,"aragonite and calcite","Geochim. Cosmochim. Acta 46, 1011-1040",http://dx.doi.org/10.1016/0016-7037(82)90056-4
WEP+82,"D. D. Wagman, W. H. Evans et al.",1982,"gases GHS","J. Phys. Chem. Ref. Data 11, 1-392",http://dx.doi.org/10.1063/1.555661
WEP+82.1,"D. D. Wagman, W. H. Evans et al.",1982,manganosite,"J. Phys. Chem. Ref. Data 11, 1-392",http://dx.doi.org/10.1063/1.555661
@@ -34,22 +36,32 @@
RH95,"R. A. Robie and B. S. Hemingway",1995,"gypsum GHS","U. S. Geological Survey Bull. 2131",http://pubs.er.usgs.gov/publication/b2131
SK95,"E. L. Shock and C. M. Koretsky",1995,"metal-organic acid complexes","Geochim. Cosmochim. Acta 59, 1497-1532",http://dx.doi.org/10.1016/0016-7037(95)00058-8
Sho95,"E. L. Shock",1995,"carboxylic acids","Am. J. Sci. 295, 496-580",http://dx.doi.org/10.2475/ajs.295.5.496
-Gur96,"S. Gurrieri",1996,sulfur,"personal communication",
AH97b,"J. P. Amend and H. C. Helgeson",1997,"amino acids GHS","J. Chem. Soc., Faraday Trans. 93, 1927-1941",http://dx.doi.org/10.1039/A608126F
DSM+97,"J. D. Dale, E. L. Shock et al.",1997,alkylphenols,"Geochim. Cosmochim. Acta 61, 4017-4024",http://dx.doi.org/10.1016/S0016-7037(97)00212-3
MS97,"T. M. McCollom and E. L. Shock",1997,"MgSO<sub>4</sub>, NaSO<sub>4</sub><sup>-</sup>, and HCl","Geochim. Cosmochim. Acta 61, 4375-4391",http://dx.doi.org/10.1016/S0016-7037(97)00241-X
+MS97.1,"T. M. McCollom and E. L. Shock",1997,"sulfur","Geochim. Cosmochim. Acta 61, 4375-4391",http://dx.doi.org/10.1016/S0016-7037(97)00241-X
SSB97,"E. L. Shock, D. C. Sassani and H. Betz",1997,"uranium species","Geochim. Cosmochim. Acta 61, 4245-4266",http://dx.doi.org/10.1016/S0016-7037(97)00240-8
+SSB97.1,"E. L. Shock, D. C. Sassani and H. Betz",1997,"uraninite","Geochim. Cosmochim. Acta 61, 4245-4266",http://dx.doi.org/10.1016/S0016-7037(97)00240-8
SSH97,"D. A. Sverjensky, E. L. Shock and H. C. Helgeson",1997,"metal complexes","Geochim. Cosmochim. Acta 61, 1359-1412",http://dx.doi.org/10.1016/S0016-7037(97)00009-4
-SSW+97,"E. L. Shock, D. C. Sassani et al.",1997,"inorganic ions and hydroxide complexes","Geochim. Cosmochim. Acta 61, 907-950",http://dx.doi.org/10.1016/S0016-7037(96)00339-0
-SSW+97.1,"E. L. Shock, D. C. Sassani et al.",1997,"zincite and litharge","Geochim. Cosmochim. Acta 61, 907-950",http://dx.doi.org/10.1016/S0016-7037(96)00339-0
+SSWS97,"E. L. Shock, D. C. Sassani et al.",1997,"inorganic ions and hydroxide complexes","Geochim. Cosmochim. Acta 61, 907-950",http://dx.doi.org/10.1016/S0016-7037(96)00339-0
+SSWS97.1,"E. L. Shock, D. C. Sassani et al.",1997,"zincite and litharge","Geochim. Cosmochim. Acta 61, 907-950",http://dx.doi.org/10.1016/S0016-7037(96)00339-0
TSD97,"Y. Tardy, R. Schaul, J. Duplay",1997,"humic acid, microflora, and plants","C. R. Acad. Sci. Paris 324, 969-976",http://dx.doi.org/10.1016/S1251-8050(97)83981-X
HOKR98,"H. C. Helgeson, C. E. Owens et al.",1998,"organic molecules and groups","Geochim. Cosmochim. Acta 62, 985-1081",http://dx.doi.org/10.1016/S0016-7037(97)00219-6
-HS99,"J. R. Haas and E. L. Shock",1998,"chloroethylene species","Geochim. Cosmochim. Acta 63, 3429-3441",http://dx.doi.org/10.1016/S0016-7037(99)00276-8
RH98,"L. Richard and H. C. Helgeson",1998,"organic molecules and groups","Geochim. Cosmochim. Acta 62, 3591-3636",http://dx.doi.org/10.1016/S0016-7037(97)00345-1
-SLOP98,"E. L. Shock et al.",1998,,"slop98.dat computer data file",http://geopig.asu.edu/?q=tools
-SLOP98.1,"E. L. Shock et al.",1998,"zincite and litharge; "These data were used in @SSW+97, but were not tabulated in the paper."","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.1,"E. L. Shock et al.",1998,"zincite and litharge; "These data were used in @SSWS97, but were not tabulated in the paper."","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
SLOP98.2,"E. L. Shock et al.",1998,"daphnite; "G<sub>f</sub> and H<sub>f</sub> from @SS93a TMM"","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
-SS98a,"D. C. Sassani and E. L. Shock",1998,"platinum-group solids","Geochim. Cosmochim. Acta 62, 2643-2671",http://dx.doi.org/10.1016/S0016-7037(98)00049-0
+SLOP98.3,"E. L. Shock et al.",1998,""Corrected values based on data from @SH90 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.4,"E. L. Shock et al.",1998,""Corrected values based on data from @SSH97 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.5,"E. L. Shock et al.",1998,""Corrected values based on data from @SS93 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.6,"E. L. Shock et al.",1998,""Corrected values based on data from @SK93 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.7,"E. L. Shock et al.",1998,""Corrected values based on data from @Sho95 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.8,"E. L. Shock et al.",1998,""These data were used in @SK95, but were not tabulated in the paper."","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.9,"E. L. Shock et al.",1998,""Corrected values based on data from @SK95 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.10,"E. L. Shock et al.",1998,""Corrected values based on data from @HSS95 "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SLOP98.11,"E. L. Shock et al.",1998,""Data and parameters as used by @MS97. "","slop98.dat computer data file",http://geopig.asu.edu/?q=tools
+SS98a,"D. C. Sassani and E. L. Shock",1998,"platinum-group ions and complexes","Geochim. Cosmochim. Acta 62, 2643-2671",http://dx.doi.org/10.1016/S0016-7037(98)00049-0
+SS98a.1,"D. C. Sassani and E. L. Shock",1998,"platinum-group solids","Geochim. Cosmochim. Acta 62, 2643-2671",http://dx.doi.org/10.1016/S0016-7037(98)00049-0
+HS99,"J. R. Haas and E. L. Shock",1998,"chloroethylene species","Geochim. Cosmochim. Acta 63, 3429-3441",http://dx.doi.org/10.1016/S0016-7037(99)00276-8
PSK99,"P. Prapaipong, E. L. Shock and C. M. Koretsky",1999,"metal-dicarboxylate complexes","Geochim. Cosmochim. Acta 63, 2547-2577",http://dx.doi.org/10.1016/S0016-7037(99)00146-5
SAJ00,"R. E. Stoffregen, C. N. Alpers and J. L. Jambor",2000,"jarosite, natroalunite, and natrojarosite","Rev. Mineral. Geochem. 40, 453-479",http://dx.doi.org/10.2138/rmg.2000.40.9
AP01,"J. P. Amend and A. V. Plyasunov",2001,carbohydrates,"Geochim. Cosmochim. Acta 65, 3901-3917",http://dx.doi.org/10.1016/S0016-7037(01)00707-4
Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/inst/NEWS 2017-03-02 13:42:25 UTC (rev 179)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.0.8-68 (2017-03-01)
+CHANGES IN CHNOSZ 1.0.8-69 (2017-03-02)
---------------------------------------
DOCUMENTATION:
@@ -94,6 +94,10 @@
and database values of transition temperatures and heat capacity
parameters, and GHS at Tr of the low-temperature phase.
+- Add extdata/supcrt/ directory with files read.supcrt.R, compare.R,
+ newnames.csv; used to compare data in SUPCRT and slop files
+ (http://geopig.asu.edu/?q=tools) to data in thermo$obigt.
+
NEW AND OLD DATA:
- Split OBIGT.csv and OBIGT-2.csv into multiple files according to
@@ -129,6 +133,10 @@
- extdata: Add fasta/rubisco.fasta and cpetc/*.csv files SS98_Fig5a,
SS98_Fig5b, PM90 (all used in anintro.Rmd).
+- Replace data for sulfur (cr) from Gurrieri, 1996, personal
+ communication with that "as used by" McCollom and Shock, 1997 (from
+ slop98.dat).
+
BUG FIXES:
- Correct charge (-2) of NAD(red)-2 in LaRowe_aq.csv. Thanks to Peter
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv 2017-03-02 13:42:25 UTC (rev 179)
@@ -5,7 +5,7 @@
aegerine,Agt,NaFe(SiO3)2,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,36.7,NA,64.37,46.16,19.31,-9.46,0,0,0,0,950
aegerine,Agt,NaFe(SiO3)2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-82.386,NA,34.6051,NA,64.37,52.42,10.01,-7.68,0,0,0,0,1050
aegerine,Agt,NaFe(SiO3)2,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,478.346,NA,36.6502,NA,64.37,50.27,10.89,-7.68,0,0,0,0,1400
-akermanite,Ak,Ca2MgSi2O7,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-879362,-926497,50.03,NA,92.81,60.09,11.4,-11.4,0,0,0,0,1700
+akermanite,Ak,Ca2MgSi2O7,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-879362,-926497,50.03,NA,92.81,60.09,11.4,-11.4,0,0,0,0,1700
alabandite,Alb,MnS,cr,"HDNB78 [S92]",NA,5.May.78,-52178,-51000,19.2,NA,21.46,11.4,1.8,0,0,0,0,0,1803
albite,Ab,Na(AlSi3)O8,cr1,"HDNB78 [S92]",NA,5.May.78,-886308,-939680,49.51,NA,100.25,61.7,13.9,-15.01,0,0,0,0,473
albite,Ab,Na(AlSi3)O8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-886096.268,NA,53.9193,NA,100.25,81.88,3.554,-50.154,0,0,0,0,1200
@@ -22,11 +22,11 @@
analcime,Anl,NaAlSi2O6*H2O,cr,"HDNB78 [S92]",NA,5.May.78,-738098,-790193,56,NA,97.1,53.49,24.14,-8.88,0,0,0,0,1000
"analcime,dehydrated",Dhyd-Anl,NaAlSi2O6,cr,"HDNB78 [S92]",NA,5.May.78,-674989,-714678,41.9,NA,89.1,42.09,24.14,-8.88,0,0,0,0,1000
andalusite,And,Al2SiO5,cr,"HDNB78 [S92]",NA,5.May.78,-580587,-615866,22.2,NA,51.53,41.310833,6.292556,-12.392063,0,0,0,0,1043
-andradite,Adr,Ca3Fe2Si3O12,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1296819,-1380345,70.13,NA,131.85,113.532,15.636,-30.889,0,0,0,0,1100
+andradite,Adr,Ca3Fe2Si3O12,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1296819,-1380345,70.13,NA,131.85,113.532,15.636,-30.889,0,0,0,0,1100
anglesite,Ang,PbSO4,cr,"HDNB78 [S92]",NA,5.May.78,-194353,-219870,35.51,NA,47.95,10.96,31,4.2,0,0,0,0,1100
anhydrite,Anh,CaSO4,cr,"HDNB78 [S92]",NA,5.May.78,-315925,-342760,25.5,NA,45.94,16.78,23.6,0,0,0,0,0,1453
annite,Ann,KFe3(AlSi3)O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-1147156,-1232195,95.2,NA,154.32,106.43,29.77,-19.31,0,0,0,0,1000
-anorthite,An,Ca(Al2Si2)O8,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-954078,-1007552,49.1,NA,100.79,63.311,14.794,-15.44,0,0,0,0,1700
+anorthite,An,Ca(Al2Si2)O8,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-954078,-1007552,49.1,NA,100.79,63.311,14.794,-15.44,0,0,0,0,1700
anthophyllite,Ath,Mg7Si8O22(OH)2,cr1,"HDNB78 [S92]",NA,5.May.78,-2715430,-2888749,128.6,NA,264.4,180.682,60.574,-38.462,0,0,0,0,903
anthophyllite,Ath,Mg7Si8O22(OH)2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-2718479.297,NA,108.796,NA,264.4,197.542,41.614,-13.342,0,0,0,0,1258
anthophyllite,Ath,Mg7Si8O22(OH)2,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-2719529.932,NA,105.9454,NA,264.4,199.522,41.614,-13.342,0,0,0,0,1800
@@ -45,7 +45,7 @@
bunsenite,Bsn,NiO,cr1,"HDNB78 [S92]",NA,5.May.78,-50573,-57300,9.08,NA,10.97,-4.99,37.58,3.89,0,0,0,0,525
bunsenite,Bsn,NiO,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-50581.657,-57508.213,8.4107,NA,10.97,13.88,0,0,0,0,0,0,565
bunsenite,Bsn,NiO,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-50447.661,-57020.353,9.5976,NA,10.97,11.18,2.02,0,0,0,0,0,2000
-ca-al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-742067,-783793,35,NA,63.5,54.13,6.42,-14.9,0,0,0,0,1400
+ca-al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-742067,-783793,35,NA,63.5,54.13,6.42,-14.9,0,0,0,0,1400
ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,166.6,NA,265,145.82,52.67,-19.13,0,0,0,0,848
ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-3.895,NA,165.3767,NA,265,149.01,46.41,-16.43,0,0,0,0,1000
calcite,Cal,CaCO3,cr,"HDNB78 [S92]","PB82 [S92]",9.Mar.90,-269880,-288552,22.15,NA,36.934,24.98,5.24,-6.2,0,0,0,0,1200
@@ -66,7 +66,7 @@
"clinochlore,14a",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]",NA,5.May.78,-1961703,-2116964,111.2,NA,207.11,166.5,42.1,-37.47,0,0,0,0,900
"clinochlore,7a",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr1,"HDNB78 [S92]",NA,5.May.78,-1957101,-2113197,106.5,NA,211.5,162.82,50.62,-40.88,0,0,0,0,848
"clinochlore,7a",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-1957104.895,NA,105.2767,NA,211.5,166.01,44.36,-38.18,0,0,0,0,900
-clinozoisite,Czo,Ca2Al3Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1549240,-1643781,70.64,NA,136.2,106.118,25.214,-27.145,0,0,0,0,700
+clinozoisite,Czo,Ca2Al3Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1549240,-1643781,70.64,NA,136.2,106.118,25.214,-27.145,0,0,0,0,700
coesite,Cos,SiO2,cr1,"HDNB78 [S92]",NA,5.May.78,-203541,-216614,9.65,NA,20.641,11,8.2,-2.7,0,0,0,0,848
coesite,Cos,SiO2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-203544.895,NA,8.4267,NA,20.641,14.19,1.94,0,0,0,0,0,2000
copper,Cu,Cu,cr,"HDNB78 [S92]",NA,5.May.78,0,0,7.923,NA,7.113,5.41,1.5,0,0,0,0,0,1357
@@ -83,22 +83,22 @@
"cronstedtite,7a",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,957.096,NA,73.4065,NA,110.9,93.01,25,-8.93,0,0,0,0,1500
cummingtonite,Cum,Mg7Si8O22(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,127.5,NA,271.9,185.24,58.61,-44.66,0,0,0,0,800
cuprite,Cpr,Cu2O,cr,"HDNB78 [S92]",NA,5.May.78,-35384,-40830,22.08,NA,23.437,14.08,5.88,-0.76,0,0,0,0,1515
-"daphnite,14a",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]","SLOP98.2 [S98]",5.May.78,-1550482,-1695426,142.5,NA,213.42,176.21,43.76,-33.82,0,0,0,0,1000
+"daphnite,14a",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,"HDNB78 [S92]","SLOP98.2",5.May.78,-1550482,-1695426,142.5,NA,213.42,176.21,43.76,-33.82,0,0,0,0,1000
"daphnite,7a",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,3.159,NA,137.726,NA,221.2,175.72,46.02,-34.63,0,0,0,0,1000
diaspore,Dsp,AlO(OH),cr,"HDNB78 [S92]",NA,5.May.78,-218402,-237170,8.43,NA,17.76,14.435,4.2,0,0,0,0,0,500
dickite,Dck,Al2Si2O5(OH)4,cr,"HDNB78 [S92]","RHF79.1 [S92]",5.May.78,NA,NA,47.1,NA,99.3,72.77,29.2,-21.52,0,0,0,0,1000
-diopside,Di,CaMg(SiO3)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-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 [S92]","SPRONS92.2 [S92]",15.Mar.90,-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 [S92]","SPRONS92.2 [S92]",15.Mar.90,-515653,-553704,39.84,NA,64.39,44.711,17.779,-10.948,0,0,0,0,1000
-"dolomite,ordered",Ord-Dol,CaMg(CO3)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-517760,-556631,37.09,NA,64.34,44.711,17.779,-10.948,0,0,0,0,1000
+diopside,Di,CaMg(SiO3)2,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-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 [S92]","SPRONS92.2",15.Mar.90,-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 [S92]","SPRONS92.2",15.Mar.90,-515653,-553704,39.84,NA,64.39,44.711,17.779,-10.948,0,0,0,0,1000
+"dolomite,ordered",Ord-Dol,CaMg(CO3)2,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-517760,-556631,37.09,NA,64.34,44.711,17.779,-10.948,0,0,0,0,1000
edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,161,NA,271,199.71,48.78,-46.01,0,0,0,0,848
edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-3.895,NA,159.7767,NA,271,202.9,42.52,-43.31,0,0,0,0,1000
enstatite,En,MgSiO3,cr1,"HDNB78 [S92]",NA,5.May.78,-348930,-369686,16.2,NA,31.276,24.55,4.74,-6.28,0,0,0,0,903
enstatite,En,MgSiO3,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-349581.153,-371758.464,11.4328,NA,31.296,28.765,0,0,0,0,0,0,1258
enstatite,En,MgSiO3,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-349546.21,-371843.59,11.0302,NA,32.386,29.26,0,0,0,0,0,0,1800
-epidote,Ep,Ca2FeAl2Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1450906,-1543992,75.28,NA,139.2,117.622,12.816,-31.864,0,0,0,0,1100
-"epidote,ordered",Ord-Ep,Ca2FeAl2Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1450906,-1544016,75.2,NA,139.2,113.78,14.69,-28.92,0,0,0,0,1100
+epidote,Ep,Ca2FeAl2Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1450906,-1543992,75.28,NA,139.2,117.622,12.816,-31.864,0,0,0,0,1100
+"epidote,ordered",Ord-Ep,Ca2FeAl2Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1450906,-1544016,75.2,NA,139.2,113.78,14.69,-28.92,0,0,0,0,1100
epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,152.9,NA,267.56,157.04,60.87,-21.83,0,0,0,0,848
epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-7.845,NA,150.4533,NA,267.56,163.42,48.35,-16.43,0,0,0,0,1000
fayalite,Fa,Fe2SiO4,cr,"HDNB78 [S92]",NA,5.May.78,-330233,-354119,35.45,NA,46.39,36.51,9.36,-6.7,0,0,0,0,1490
@@ -119,20 +119,20 @@
fluortremolite,F-Tr,(Ca2Mg5)Si8O22(F)2,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,129.4,NA,270.45,183.74,55.25,-43.73,0,0,0,0,800
forsterite,Fo,Mg2SiO4,cr,"HDNB78 [S92]",NA,5.May.78,-491564,-520000,22.75,NA,43.79,35.81,6.54,-8.52,0,0,0,0,1800
galena,Gn,PbS,cr,"HDNB78 [S92]",NA,5.May.78,-23115,-23500,21.8,NA,31.49,11.17,2.2,0,0,0,0,0,1388
-gehlenite,Gh,Ca2(Al2Si)O7,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-903148,-951225,48.1,NA,90.24,63.74,8,-15.12,0,0,0,0,1800
+gehlenite,Gh,Ca2(Al2Si)O7,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-903148,-951225,48.1,NA,90.24,63.74,8,-15.12,0,0,0,0,1800
gibbsite,Gbs,Al(OH)3,cr,"HDNB78 [S92]",NA,5.May.78,-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 [S92]",NA,5.May.78,NA,NA,130,NA,269.7,190.26,59.36,-50.01,0,0,0,0,800
gold,Au,Au,cr,"HDNB78 [S92]",NA,5.May.78,0,0,11.33,NA,10.215,5.66,1.24,0,0,0,0,0,1336
graphite,Gr,C,cr,"HDNB78 [S92]",NA,5.May.78,0,0,1.372,NA,5.298,4.03,1.14,-2.04,0,0,0,0,2500
greenalite,Grn,Fe3Si2O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,-715340,-644110,72.6,NA,115,81.65,32.6,-15.39,0,0,0,0,1000
-grossular,Grs,Ca3Al2Si3O12,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1496307,-1582737,60.87,NA,125.3,104.017,17.013,-27.318,0,0,0,0,1000
+grossular,Grs,Ca3Al2Si3O12,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-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 [S92]",NA,5.May.78,NA,NA,163.3,NA,256.67,198.83,60.93,-39.55,0,0,0,0,800
halite,Hl,NaCl,cr,"HDNB78 [S92]",NA,5.May.78,-91807,-98260,17.24,NA,27.015,10.98,3.9,0,0,0,0,0,1073
halloysite,Hal,Al2Si2O5(OH)4,cr,"HDNB78 [S92]","RHF79.1 [S92]",5.May.78,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,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,-79.315,NA,187.1167,NA,280.3,217.82,41.58,-43.1,0,0,0,0,1050
hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,477.644,NA,189.1492,NA,280.3,215.68,42.46,-43.1,0,0,0,0,1500
-hedenbergite,Hd,CaFe(SiO3)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",5.Mar.90,-638998,-678276,40.7,NA,68.27,54.81,8.17,-15.01,0,0,0,0,1600
+hedenbergite,Hd,CaFe(SiO3)2,cr,"HDNB78 [S92]","SPRONS92.2",5.Mar.90,-638998,-678276,40.7,NA,68.27,54.81,8.17,-15.01,0,0,0,0,1600
hematite,Hem,Fe2O3,cr1,"HDNB78 [S92]",NA,5.May.78,-178155,-197720,20.94,NA,30.274,23.49,18.6,-3.55,0,0,0,0,950
hematite,Hem,Fe2O3,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-178206.12,-198965.094,16.9353,NA,30.274,36,0,0,0,0,0,0,1050
hematite,Hem,Fe2O3,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-177088.429,-196631.631,21.0129,NA,30.274,31.71,1.76,0,0,0,0,0,1800
@@ -140,10 +140,10 @@
heulandite,Hul,Ca(Al2Si7)O18*6H2O,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-11.741,NA,178.73,NA,316.37,189.23,50.29,-16.43,0,0,0,0,1000
huntite,Hun,CaMg3(CO3)4,cr,"HDNB78 [S92]",NA,5.May.78,-1004710,-1082600,71.59,NA,122.9,84.17,42.86,-20.44,0,0,0,0,1000
hydromagnesite,Hydro-Mgs,Mg5(OH)2(CO3)4*4H2O,cr,"HDNB78 [S92]",NA,5.May.78,-1401687,-1557090,129.38,NA,208.8,141.46,65.28,-21.67,0,0,0,0,1000
-iron,Fe,Fe,cr1,"RHF79 [S92]","Kel60 [S92]",5.May.78,0,0,6.52,NA,7.092,3.04,7.58,0.6,0,0,0,0,1033
-iron,Fe,Fe,cr2,"RHF79 [S92]",CHNOSZ.1,5.May.78,-618.237,-1768.418,2.662,NA,7.092,11.13,0,0,0,0,0,0,1183
-iron,Fe,Fe,cr3,"RHF79 [S92]",CHNOSZ.1,5.May.78,1293.526,1865.343,8.438,NA,7.092,5.8,1.98,0,0,0,0,0,1673
-iron,Fe,Fe,cr4,"RHF79 [S92]",CHNOSZ.1,5.May.78,979.29,1252.891,7.438,NA,7.092,6.74,1.6,0,0,0,0,0,1812
+iron,Fe,Fe,cr1,"RHF79.2 [S92]","Kel60.2 [S92]",5.May.78,0,0,6.52,NA,7.092,3.04,7.58,0.6,0,0,0,0,1033
+iron,Fe,Fe,cr2,"RHF79.2 [S92]",CHNOSZ.1,5.May.78,-618.237,-1768.418,2.662,NA,7.092,11.13,0,0,0,0,0,0,1183
+iron,Fe,Fe,cr3,"RHF79.2 [S92]",CHNOSZ.1,5.May.78,1293.526,1865.343,8.438,NA,7.092,5.8,1.98,0,0,0,0,0,1673
+iron,Fe,Fe,cr4,"RHF79.2 [S92]",CHNOSZ.1,5.May.78,979.29,1252.891,7.438,NA,7.092,6.74,1.6,0,0,0,0,0,1812
jadeite,Jd,NaAl(SiO3)2,cr,"HDNB78 [S92]",NA,5.May.78,-679445,-722116,31.9,NA,60.4,48.16,11.42,-11.87,0,0,0,0,1400
k-feldspar,K-Fs,K(AlSi3)O8,cr,"HDNB78 [S92]",NA,5.May.78,-895374,-949188,51.13,NA,108.87,76.617,4.311,-29.945,0,0,0,0,1400
k-phillipsite,K-Php,K2(Al2Si5)O14*5H2O,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,172.1,NA,265,152.66,60.24,-18.45,0,0,0,0,848
@@ -155,8 +155,8 @@
larnite,Lrn,Ca2SiO4,cr1,"HDNB78 [S92]","Kel60.1 [S92]",5.May.78,NA,NA,30.5,NA,51.6,34.87,9.74,-6.26,0,0,0,0,970
larnite,Lrn,Ca2SiO4,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,379.765,NA,30.1022,NA,51.6,32.16,11.02,0,0,0,0,0,1710
larnite,Lrn,Ca2SiO4,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-844.027,NA,18.2296,NA,51.6,49,0,0,0,0,0,0,2000
-laumontite,lamt,Ca(Al2Si4)O12*4H2O,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1596823,-1728664,116.1,NA,207.55,123.2,44.47,-16.43,0,0,0,0,1000
-lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr1,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1073408,-1158104,55.8,NA,101.32,81.8,23.36,-16.26,0,0,0,0,848
+laumontite,lamt,Ca(Al2Si4)O12*4H2O,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1596823,-1728664,116.1,NA,207.55,123.2,44.47,-16.43,0,0,0,0,1000
+lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr1,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-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 [S92]",CHNOSZ.1,5.May.78,-1073411.895,NA,54.5767,NA,101.32,84.99,17.1,-13.56,0,0,0,0,1000
leonhardite,Lnr,Ca2(Al4Si8)O24*7H2O,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,220.4,NA,407.86,235,88.94,-32.86,0,0,0,0,1000
lime,Lim,CaO,cr,"HDNB78 [S92]",NA,5.May.78,-144366,-151790,9.5,NA,16.764,11.67,1.08,-1.56,0,0,0,0,2000
@@ -171,9 +171,9 @@
magnetite,Mag,Fe3O4,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-240960.953,NA,34.9818,NA,44.524,48,0,0,0,0,0,0,1800
malachite,Mal,Cu2(OH)2(CO3),cr,"HDNB78 [S92]",NA,5.May.78,-214204,-251900,44.5,NA,54.86,27.76,43.78,-1.34,0,0,0,0,780
manganosite,Mng,MnO,cr,"HDNB78 [S92]","WEP+82.1 [S92]",5.May.78,-86735,-92070,14.27,NA,13.221,11.11,1.94,-0.88,0,0,0,0,1800
-margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr1,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1394150,-1485803,63.8,NA,129.4,102.5,16.35,-28.05,0,0,0,0,848
+margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr1,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1394150,-1485803,63.8,NA,129.4,102.5,16.35,-28.05,0,0,0,0,848
margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr2,"HDNB78 [S92]",CHNOSZ.1,15.Mar.90,-1394146.105,NA,65.0233,NA,129.4,99.31,22.61,-30.75,0,0,0,0,1000
-merwinite,Mer,Ca3Mg(SiO4)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1036526,-1090796,60.5,NA,104.4,72.97,11.96,-14.44,0,0,0,0,1700
+merwinite,Mer,Ca3Mg(SiO4)2,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1036526,-1090796,60.5,NA,104.4,72.97,11.96,-14.44,0,0,0,0,1700
metacinnabar,Met-Cin,HgS,cr,"HDNB78 [S92]",NA,5.May.78,-10437,-11800,21.2,NA,30.169,10.52,3.63,0,0,0,0,0,1000
"microcline,maximum",Max-Mc,K(AlSi3)O8,cr,"HDNB78 [S92]",NA,5.May.78,-895374,-949188,51.13,NA,108.741,63.83,12.9,-17.05,0,0,0,0,1400
minnesotaite,Mnn,Fe3Si4O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,83.5,NA,147.86,88.31,42.61,-11.15,0,0,0,0,800
@@ -189,7 +189,7 @@
nickel,Ni,Ni,cr1,"HDNB78 [S92]",NA,5.May.78,0,0,7.14,NA,6.588,4.06,7.04,0,0,0,0,0,633
nickel,Ni,Ni,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,79.615,167.295,7.434,NA,6.588,6,1.8,0,0,0,0,0,1725
paragonite,Pg,NaAl2(AlSi3)O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-1326012,-1416963,66.4,NA,132.53,97.43,24.5,-26.44,0,0,0,0,1000
-pargasite,Prg,Na(Ca2Mg4Al)(Al2Si6)O22(OH)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-2846728,-3016624,160,NA,273.5,205.8,41.66,-50.21,0,0,0,0,1000
+pargasite,Prg,Na(Ca2Mg4Al)(Al2Si6)O22(OH)2,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-2846728,-3016624,160,NA,273.5,205.8,41.66,-50.21,0,0,0,0,1000
pd-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,68.5,NA,143.2,88.34,54.12,-18.06,0,0,0,0,848
pd-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-11.741,NA,64.83,NA,143.2,97.91,35.34,-9.96,0,0,0,0,950
pd-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-255.019,NA,58.562,NA,143.2,116.68,7.44,-4.63,0,0,0,0,1050
@@ -197,7 +197,7 @@
periclase,Per,MgO,cr,"HDNB78 [S92]",NA,5.May.78,-136086,-143800,6.44,NA,11.248,10.18,1.74,-1.48,0,0,0,0,2100
phlogopite,Phl,KMg3(AlSi3)O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-1396187,-1488067,76.1,NA,149.66,100.61,28.78,-21.5,0,0,0,0,1000
"potassium oxide",K-Ox,K2O,cr,"HDNB78 [S92]",NA,5.May.78,-77056,-86800,22.5,NA,40.38,18.51,8.65,-0.88,0,0,0,0,1100
-prehnite,Prh,Ca2Al2Si3O10(OH)2,cr1,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1390097,-1481649,65,NA,140.33,91.6,37.82,-19.6,0,0,0,0,848
+prehnite,Prh,Ca2Al2Si3O10(OH)2,cr1,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1390097,-1481649,65,NA,140.33,91.6,37.82,-19.6,0,0,0,0,848
prehnite,Prh,Ca2Al2Si3O10(OH)2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-1390108.741,NA,61.33,NA,140.33,101.17,19.04,-11.5,0,0,0,0,1000
pyrite,Py,FeS2,cr,"HDNB78 [S92]",NA,5.May.78,-38293,-41000,12.65,NA,23.94,17.88,1.32,-3.05,0,0,0,0,1000
pyrope,Prp,Mg3Al2Si3O12,cr1,"HDNB78 [S92]","RHF79.1 [S92]",5.May.78,NA,NA,62.3,NA,113.27,91.69,32.64,-20.92,0,0,0,0,848
@@ -233,11 +233,11 @@
sylvite,Sy,KCl,cr,"HDNB78 [S92]",NA,5.May.78,-97735,-104370,19.73,NA,37.524,9.89,5.2,0.77,0,0,0,0,1043
talc,Tcl,Mg3Si4O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-1320188,-1410920,62.34,NA,136.25,82.482,41.614,-13.342,0,0,0,0,800
tenorite,Tn,CuO,cr,"HDNB78 [S92]",NA,5.May.78,-30568,-37200,10.18,NA,12.22,11.53,1.88,-1.76,0,0,0,0,1600
-tremolite,Tr,(Ca2Mg5)Si8O22(OH)2,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-2770245,-2944038,131.19,NA,272.92,188.222,57.294,-44.822,0,0,0,0,800
-wairakite,Wai,Ca(Al2Si4)O12*2H2O,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1477432,-1579333,105.1,NA,186.87,100.4,44.47,-16.43,0,0,0,0,1000
-wollastonite,Wo,CaSiO3,cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-369225,-389590,19.6,NA,39.93,26.64,3.6,-6.52,0,0,0,0,1400
+tremolite,Tr,(Ca2Mg5)Si8O22(OH)2,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-2770245,-2944038,131.19,NA,272.92,188.222,57.294,-44.822,0,0,0,0,800
+wairakite,Wai,Ca(Al2Si4)O12*2H2O,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1477432,-1579333,105.1,NA,186.87,100.4,44.47,-16.43,0,0,0,0,1000
+wollastonite,Wo,CaSiO3,cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-369225,-389590,19.6,NA,39.93,26.64,3.6,-6.52,0,0,0,0,1400
wurtzite,Wur,ZnS,cr,"HDNB78 [S92]",NA,5.May.78,-44810,-45850,14.064,NA,23.846,11.82,1.16,-1.04,0,0,0,0,1300
-zoisite,Zo,Ca2Al3Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2 [S92]",15.Mar.90,-1549179,-1643691,70.74,NA,135.9,106.118,25.214,-27.145,0,0,0,0,700
+zoisite,Zo,Ca2Al3Si3O12(OH),cr,"HDNB78 [S92]","SPRONS92.2",15.Mar.90,-1549179,-1643691,70.74,NA,135.9,106.118,25.214,-27.145,0,0,0,0,700
berndtite,Brn,SnS2,cr,"JH85 [S92]",NA,5.May.78,-34750,-36700,20.9,NA,40.96,15.51,4.2,0,0,0,0,0,1000
cassiterite,Cst,SnO2,cr,"JH85 [S92]",NA,5.May.78,-124260,-138800,12.5,NA,21.55,17.246,2.8026,-4.9001,0,0,0,0,1500
romarchite,Sn-Ox,SnO,cr,"JH85 [S92]",NA,5.May.78,-61459,-68340,13.66,NA,20.895,9.55,3.5,0,0,0,0,0,1237
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.csv 2017-03-01 13:12:27 UTC (rev 178)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.csv 2017-03-02 13:42:25 UTC (rev 179)
@@ -1,13 +1,10 @@
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
chlorargyrite,Crg,AgCl,cr,RHF79 [S92],Pan70 [S92],5.May.78,-26247,-30370,23,NA,25.727,14.33,1.821,-2.43,0,0,0,0,728
rutile,TiO2,TiO2,cr,RHF79 [S92],BH83 [S92],31.Mar.92,-212883,-226101,12.02,NA,18.82,15.01442,2.720501,-2.365364,0,0,0,0,1800
-titanite,Ti-SPHENE,CaTiSiO5,cr,RHF79 [S92],SPRONS92.1 [S92],31.Mar.92,-587349,-621180,30.88,NA,55.65,42.23422,5.703951,-9.525038,0,0,0,0,1800
-sulfur,Sul,S,cr1,Gur96,NA,5.Jul.04,0,0,7.6,,15.511,3.58,6.24,0,0,0,0,0,368.6
-sulfur,NA,S,cr2,Gur96,NA,5.Jul.04,14.792,70.499,7.7868,NA,16.49,3.56,6.96,0,0,0,0,0,392
-sulfur,NA,S,cr3,Gur96,NA,5.Jul.04,99.029,371.29,8.5131,NA,17.627,5.4,5,0,0,0,0,0,717.8
+titanite,Ti-SPHENE,CaTiSiO5,cr,RHF79 [S92],SPRONS92.1,31.Mar.92,-587349,-621180,30.88,NA,55.65,42.23422,5.703951,-9.525038,0,0,0,0,1800
natroalunite,NA,NaAl3(SO4)2(OH)6,cr,SAJ00,NA,13.Apr.09,-1104780.1,-1226570.3,76.74,NA,NA,153.322,-1.881,-55.956,0,0,0,0,NA
jarosite,NA,KFe3(SO4)2(OH)6,cr,SAJ00,NA,13.Apr.09,-791061.2,-887930.2,92.949,NA,NA,147.44,23.599,-47.706,0,0,0,0,NA
natrojarosite,NA,NaFe3(SO4)2(OH)6,cr,SAJ00,NA,13.Apr.09,-778370,-877892,91.396,NA,NA,147.321,21.8,-48.7,0,0,0,0,NA
melanterite,NA,FeSO4*7H2O,cr,PK95,NA,13.Apr.09,-599366.6,-720028.7,97.801,NA,NA,0,0,0,0,0,0,0,NA
-gypsum,NA,CaSO4*2H2O,cr,RH95,Kel60.2,22.Nov.15,-429493,-483509,46.32,NA,74.69,21.84,76,0,0,0,0,0,400
+gypsum,NA,CaSO4*2H2O,cr,RH95,Kel60.3,22.Nov.15,-429493,-483509,46.32,NA,74.69,21.84,76,0,0,0,0,0,400
MgSO4,NA,MgSO4,cr,WEP+82.2,NA,24.Nov.15,-279780,-307100,21.89,NA,NA,23.06,0,0,0,0,0,0,NA
[TRUNCATED]
To get the complete diff run:
svnlook diff /svnroot/chnosz -r 179
More information about the CHNOSZ-commits
mailing list