[CHNOSZ-commits] r622 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Tue Nov 10 12:20:45 CET 2020
Author: jedick
Date: 2020-11-10 12:20:45 +0100 (Tue, 10 Nov 2020)
New Revision: 622
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/inst/CHECKLIST
pkg/CHNOSZ/inst/TODO
pkg/CHNOSZ/inst/extdata/OBIGT/AS04.csv
pkg/CHNOSZ/inst/extdata/OBIGT/OldAA.csv
pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
pkg/CHNOSZ/inst/extdata/OBIGT/biotic_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/organic_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
pkg/CHNOSZ/vignettes/OBIGT.Rmd
pkg/CHNOSZ/vignettes/OBIGT.bib
Log:
Change "CHNOSZ" to "OBIGT" in database references
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/DESCRIPTION 2020-11-10 11:20:45 UTC (rev 622)
@@ -1,6 +1,6 @@
Date: 2020-11-10
Package: CHNOSZ
-Version: 1.3.6-95
+Version: 1.3.6-96
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/CHECKLIST
===================================================================
--- pkg/CHNOSZ/inst/CHECKLIST 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/CHECKLIST 2020-11-10 11:20:45 UTC (rev 622)
@@ -1,6 +1,6 @@
****************************
Release checklist for CHNOSZ
- (updated 2020-07-27)
+ (updated 2020-11-10)
****************************
- Run examples() and demos() and inspect their output (especially plots)
@@ -52,11 +52,9 @@
remove padding-top: 10px; from h2 in
rmarkdown/templates/html_vignette/resources/vignette.css
-- vignettes/OBIGT.bib: check correct year and version for CHNOSZ reference
-
- Documentation links: after installation, run doc/mklinks.sh
- to add links (to Rd files and vignettes) to anintro.html and
- OBIGT.html (for the website)
+ to add links to the vignettes (for posting on the website,
+ so vignettes have links to HTML renditions of Rd files)
***************
R compatibility
Modified: pkg/CHNOSZ/inst/TODO
===================================================================
--- pkg/CHNOSZ/inst/TODO 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/TODO 2020-11-10 11:20:45 UTC (rev 622)
@@ -10,8 +10,6 @@
- move extdata/bison to JMDplots package.
-- OBIGT.Rmd: change "CHNOSZ" references to "OBIGT".
-
- add elements from RH95.
- add check to mosaic() that 'stable' values have the right dimensions.
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/AS04.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/AS04.csv 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/AS04.csv 2020-11-10 11:20:45 UTC (rev 622)
@@ -1,4 +1,4 @@
name,abbrv,formula,state,ref1,ref2,date,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
H4SiO4,NA,H4SiO4,aq,Ste01,NA,2006-08-31,cal,-312919.933078394,-348676.147227533,45.1003824091778,15.0095602294455,52.3,18.7299235181644,-21.2600382409178,18.6199808795411,-1.20004780114723,58.0305927342256,-20.789913957935,0.0869024856596558,0
SiO2,NA,SiO2,aq,AS04,NA,2019-02-08,cal,-199540,-212179,11.128325,-22.324515,15.575422,1.9,1.7,20,-2.7,32.221331,-25.288582,0.342671,0
-HSiO3-,HSiO3-,HSiO3-,aq,SSH97.2,CHNOSZ.8,2019-02-08,cal,-243151,-276276,-1.871675,-21,5,2.9735,-0.5158,5.9467,-2.7575,8.1489,-7.3123,1.5511,-1
+HSiO3-,HSiO3-,HSiO3-,aq,SSH97.2,OBIGT.8,2019-02-08,cal,-243151,-276276,-1.871675,-21,5,2.9735,-0.5158,5.9467,-2.7575,8.1489,-7.3123,1.5511,-1
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/OldAA.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/OldAA.csv 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/OldAA.csv 2020-11-10 11:20:45 UTC (rev 622)
@@ -11,55 +11,55 @@
[UPBB],NA,C2H2NO,aq,DLH06.6,NA,2006-08-25,cal,-21436,-45220,1.62,-4.496,26.296,8.1,-3.75,-6.73,1.13,11.2,-7.5,0.05,0
alanate,NA,C3H6NO2-,aq,SK95.1,AH97b.1,2006-09-03,cal,-75360,-121470,30.71,17.8,61.88,10.6281,17.3648,0.6505,-3.4968,12.685,-4.1859,1.17,-1
glycinate,NA,C2H4NO2-,aq,SK95.1,AH97b.1,2006-09-03,cal,-77610,-114190,30.07,-6.6,43.77,8.1592,11.7696,1.921,-3.2655,12.9389,-4.1859,1.1975,-1
-Ca(Gly)+,NA,Ca(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-211570,-240519,34.375,59.3,32.6,6.2431,7.4595,2.8241,-3.0873,41.4246,9.0464,0.0543,1
-Ca(Gly)2,NA,Ca(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-290215,-351722,77.929,131,89,13.9371,26.2517,-4.5733,-3.8641,82.6597,23.6485,-0.03,0
-Mg(Gly)+,NA,Mg(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-190820,-227064,7.788,64.2,28.7,5.8466,6.4953,3.1944,-3.0474,48.0086,10.0502,0.4555,1
-Mg(Gly)2,NA,Mg(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-272534,-343783,43.136,140.6,84.7,13.3443,24.8034,-4.0028,-3.8043,88.2942,25.6069,-0.03,0
-Sr(Gly)+,NA,Sr(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-213664,-241197,42.515,53.6,33.3,6.3007,7.6019,2.7652,-3.0932,36.9719,7.8914,-0.0684,1
-Sr(Gly)2,NA,Sr(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-291859,-351200,88.581,119.9,89.8,14.0476,26.5176,-4.6704,-3.8751,76.1763,21.395,-0.03,0
-Ba(Gly)+,NA,Ba(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-213671,-237698,55.917,48.6,38.7,6.9656,9.2295,2.1164,-3.1604,32.1389,6.8602,-0.2709,1
-Ba(Gly)2,NA,Ba(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-292479,-347082,106.12,110.1,95.8,14.8647,28.514,-5.4575,-3.9577,70.3874,19.383,-0.03,0
-Mn(Gly)+,NA,Mn(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-137101,-167693,26.59,67,33.7,6.4299,7.9186,2.6372,-3.1063,47.0493,10.6185,0.1739,1
-Mn(Gly)2,NA,Mn(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-218761,-282627,67.741,146.1,90.2,14.1002,26.6481,-4.7253,-3.8805,91.4846,26.7157,-0.03,0
-Fe(Gly)+,NA,Fe(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-105368,-137141,21.59,58,28,5.6774,6.0837,3.3533,-3.0304,42.4593,8.7852,0.2482,1
-Fe(Gly)2,NA,Fe(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-187369,-252307,61.198,128.5,83.9,13.2339,24.5311,-3.8903,-3.793,81.1932,23.1388,-0.03,0
-Ni(Gly)+,NA,Ni(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-96871,-131179,13.59,49.9,20.4,4.6813,3.6515,4.3097,-2.9299,38.8214,7.1352,0.3686,1
-Ni(Gly)2,NA,Ni(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-181191,-249835,51.18,112.7,75.4,12.0787,21.7107,-2.7819,-3.6764,71.9311,19.9195,-0.03,0
-Cu(Gly)+,NA,Cu(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-73625,-104298,26.59,63.4,25.3,5.2864,5.1238,3.7413,-2.9907,44.9395,9.8852,0.1739,1
-Cu(Gly)2,NA,Cu(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-161137,-225550,66.18,139,80.9,12.8262,23.5338,-3.4944,-3.7518,87.3679,25.285,-0.03,0
-Zn(Gly)+,NA,Zn(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-120148,-153499,19.59,62.1,25.6,5.3677,5.3226,3.6628,-2.9989,45.1185,9.6102,0.2792,1
-Zn(Gly)2,NA,Zn(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-203799,-271188,58.18,136.4,81.3,12.8771,23.6625,-3.5537,-3.7571,85.8243,24.7484,-0.03,0
-Pb(Gly)+,NA,Pb(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-90780,-114202,58.508,47.7,35.3,6.4949,8.079,2.5712,-3.1129,31.2483,6.6769,-0.3103,1
-Pb(Gly)2,NA,Pb(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-173013,-226772,109.51,108.3,92.1,14.355,27.2722,-4.9746,-3.9063,69.3582,19.0253,-0.03,0
-Co(Gly)+,NA,Co(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-97525,-130972,16.59,58.7,25.5,5.3683,5.3273,3.6539,-2.9991,43.5722,8.9227,0.326,1
-Co(Gly)2,NA,Co(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-180617,-247207,58.18,129.8,81.2,12.8601,23.6197,-3.5341,-3.7553,81.9652,23.407,-0.03,0
-Cd(Gly)+,NA,Cd(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-102566,-133978,28.59,68.4,35.3,6.6477,8.4525,2.4231,-3.1283,47.5446,10.8935,0.1417,1
-Cd(Gly)2,NA,Cd(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-185236,-250387,68.18,148.7,92.1,14.355,27.2722,-4.9746,-3.9063,93.0282,27.2523,-0.03,0
-Eu(Gly)+,NA,Eu(C2H4NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-208959,-236026,49.509,89.8,50.3,8.5841,13.176,0.5767,-3.3236,57.1645,15.2476,-0.1738,1
-Eu(Gly)2,NA,Eu(C2H4NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-288477,-346709,97.734,190.4,108.7,16.6314,32.8272,-7.1514,-4.136,117.4699,35.7476,-0.03,0
-Ca(Ala)+,NA,Ca(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-209172,-247643,35.015,104.6,50.7,8.7124,13.4888,0.454,-3.3365,67.7227,18.2713,0.0279,1
-Ca(Ala)2,NA,Ca(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-285446,-365834,79.755,239.1,127.3,19.1765,39.0448,-9.6021,-4.393,146.0369,45.6768,-0.03,0
-Mg(Ala)+,NA,Mg(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-186539,-232305,8.428,109.5,46.8,8.3169,12.5282,0.821,-3.2968,74.3351,19.275,0.4322,1
-Mg(Ala)2,NA,Mg(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-263631,-353761,44.962,248.8,123,18.5836,37.5967,-9.0318,-4.3331,151.6713,47.6352,-0.03,0
-Sr(Ala)+,NA,Sr(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-211130,-248184,43.155,98.9,51.4,8.77,13.6312,0.3947,-3.3424,63.2691,17.1163,-0.0948,1
-Sr(Ala)2,NA,Sr(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-286831,-365053,90.407,228.1,128.1,19.2869,39.3109,-9.699,-4.404,139.5534,43.4233,-0.03,0
-Ba(Ala)+,NA,Ba(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-210713,-244263,56.557,93.7,56.8,9.4348,15.2528,-0.2391,-3.4095,58.4325,16.085,-0.2977,1
-Ba(Ala)2,NA,Ba(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-286687,-360171,107.946,218.2,134.1,20.104,41.3073,-10.4865,-4.4865,133.7647,41.4112,-0.03,0
-Mn(Ala)+,NA,Mn(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-134280,-173740,29.425,112.3,51.8,8.8873,13.9167,0.2842,-3.3542,73.0237,19.8433,0.1124,1
-Mn(Ala)2,NA,Mn(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-213474,-295365,72.44,254.2,128.5,19.3395,39.4414,-9.7539,-4.4094,154.8617,48.744,-0.03,0
-Fe(Ala)+,NA,Fe(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-103952,-146326,18.518,103.3,46.1,8.1661,12.1558,0.976,-3.2814,69.2856,18.01,0.2792,1
-Fe(Ala)2,NA,Fe(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-184387,-269655,58.166,236.6,122.2,18.4732,37.3244,-8.9189,-4.3219,144.5703,45.1671,-0.03,0
-Ni(Ala)+,NA,Ni(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-94227,-137691,15.46,95.2,38.5,7.1451,9.664,1.9536,-3.1784,64.9703,16.36,0.326,1
-Ni(Ala)2,NA,Ni(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-175945,-264092,50.92,220.8,113.8,17.318,34.504,-7.8105,-4.2053,135.3083,41.9478,-0.03,0
-Cu(Ala)+,NA,Cu(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2019-02-06,cal,-71295,-110530,25.46,108.7,43.4,7.7387,11.1165,1.3762,-3.2385,70.7759,19.11,0.0974,1
-Cu(Ala)2,NA,Cu(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2019-02-06,cal,-156054,-238480,65.92,247.2,119.2,18.0655,36.3271,-8.523,-4.2807,150.7452,47.3132,-0.03,0
-Zn(Ala)+,NA,Zn(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-117313,-161024,17.46,107.4,43.8,7.8514,11.3891,1.2746,-3.2497,71.8106,18.835,0.2956,1
-Zn(Ala)2,NA,Zn(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-198512,-284509,60.92,244.5,119.6,18.1164,36.4558,-8.5823,-4.286,149.2015,46.7767,-0.03,0
-Pb(Ala)+,NA,Pb(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-87891,-120835,59.148,93,53.4,8.964,14.1088,0.1992,-3.3622,57.5413,15.9017,-0.3372,1
-Pb(Ala)2,NA,Pb(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-167671,-240311,111.336,216.4,130.4,19.5944,40.0653,-10.0034,-4.4352,132.7356,41.0535,-0.03,0
-Co(Ala)+,NA,Co(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-94799,-136805,20.46,104,43.6,7.8202,11.3148,1.299,-3.2467,69.3955,18.1475,0.2482,1
-Co(Ala)2,NA,Co(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-175193,-260392,60.92,238,119.4,18.0995,36.4127,-8.5626,-4.2842,145.3423,45.4353,-0.03,0
-Cd(Ala)+,NA,Cd(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-100782,-141576,29.698,113.7,53.4,9.1151,14.4742,0.063,-3.3773,73.7914,20.1183,0.1098,1
-Cd(Ala)2,NA,Cd(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-181340,-264540,72.797,256.8,130.4,19.5944,40.0653,-10.0034,-4.4352,156.4053,49.2806,-0.03,0
-Eu(Ala)+,NA,Eu(C3H6NO2)+,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-206029,-242617,50.149,135,68.4,11.0532,19.2058,-1.7947,-3.5729,83.4588,24.4724,-0.2006,1
-Eu(Ala)2,NA,Eu(C3H6NO2)2,aq,SK95.1,CHNOSZ.2,2006-09-03,cal,-282521,-359634,99.56,298.5,147,21.8707,45.6205,-12.1799,-4.6649,180.847,57.7759,-0.03,0
+Ca(Gly)+,NA,Ca(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-211570,-240519,34.375,59.3,32.6,6.2431,7.4595,2.8241,-3.0873,41.4246,9.0464,0.0543,1
+Ca(Gly)2,NA,Ca(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-290215,-351722,77.929,131,89,13.9371,26.2517,-4.5733,-3.8641,82.6597,23.6485,-0.03,0
+Mg(Gly)+,NA,Mg(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-190820,-227064,7.788,64.2,28.7,5.8466,6.4953,3.1944,-3.0474,48.0086,10.0502,0.4555,1
+Mg(Gly)2,NA,Mg(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-272534,-343783,43.136,140.6,84.7,13.3443,24.8034,-4.0028,-3.8043,88.2942,25.6069,-0.03,0
+Sr(Gly)+,NA,Sr(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-213664,-241197,42.515,53.6,33.3,6.3007,7.6019,2.7652,-3.0932,36.9719,7.8914,-0.0684,1
+Sr(Gly)2,NA,Sr(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-291859,-351200,88.581,119.9,89.8,14.0476,26.5176,-4.6704,-3.8751,76.1763,21.395,-0.03,0
+Ba(Gly)+,NA,Ba(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-213671,-237698,55.917,48.6,38.7,6.9656,9.2295,2.1164,-3.1604,32.1389,6.8602,-0.2709,1
+Ba(Gly)2,NA,Ba(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-292479,-347082,106.12,110.1,95.8,14.8647,28.514,-5.4575,-3.9577,70.3874,19.383,-0.03,0
+Mn(Gly)+,NA,Mn(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-137101,-167693,26.59,67,33.7,6.4299,7.9186,2.6372,-3.1063,47.0493,10.6185,0.1739,1
+Mn(Gly)2,NA,Mn(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-218761,-282627,67.741,146.1,90.2,14.1002,26.6481,-4.7253,-3.8805,91.4846,26.7157,-0.03,0
+Fe(Gly)+,NA,Fe(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-105368,-137141,21.59,58,28,5.6774,6.0837,3.3533,-3.0304,42.4593,8.7852,0.2482,1
+Fe(Gly)2,NA,Fe(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-187369,-252307,61.198,128.5,83.9,13.2339,24.5311,-3.8903,-3.793,81.1932,23.1388,-0.03,0
+Ni(Gly)+,NA,Ni(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-96871,-131179,13.59,49.9,20.4,4.6813,3.6515,4.3097,-2.9299,38.8214,7.1352,0.3686,1
+Ni(Gly)2,NA,Ni(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-181191,-249835,51.18,112.7,75.4,12.0787,21.7107,-2.7819,-3.6764,71.9311,19.9195,-0.03,0
+Cu(Gly)+,NA,Cu(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-73625,-104298,26.59,63.4,25.3,5.2864,5.1238,3.7413,-2.9907,44.9395,9.8852,0.1739,1
+Cu(Gly)2,NA,Cu(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-161137,-225550,66.18,139,80.9,12.8262,23.5338,-3.4944,-3.7518,87.3679,25.285,-0.03,0
+Zn(Gly)+,NA,Zn(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-120148,-153499,19.59,62.1,25.6,5.3677,5.3226,3.6628,-2.9989,45.1185,9.6102,0.2792,1
+Zn(Gly)2,NA,Zn(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-203799,-271188,58.18,136.4,81.3,12.8771,23.6625,-3.5537,-3.7571,85.8243,24.7484,-0.03,0
+Pb(Gly)+,NA,Pb(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-90780,-114202,58.508,47.7,35.3,6.4949,8.079,2.5712,-3.1129,31.2483,6.6769,-0.3103,1
+Pb(Gly)2,NA,Pb(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-173013,-226772,109.51,108.3,92.1,14.355,27.2722,-4.9746,-3.9063,69.3582,19.0253,-0.03,0
+Co(Gly)+,NA,Co(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-97525,-130972,16.59,58.7,25.5,5.3683,5.3273,3.6539,-2.9991,43.5722,8.9227,0.326,1
+Co(Gly)2,NA,Co(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-180617,-247207,58.18,129.8,81.2,12.8601,23.6197,-3.5341,-3.7553,81.9652,23.407,-0.03,0
+Cd(Gly)+,NA,Cd(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-102566,-133978,28.59,68.4,35.3,6.6477,8.4525,2.4231,-3.1283,47.5446,10.8935,0.1417,1
+Cd(Gly)2,NA,Cd(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-185236,-250387,68.18,148.7,92.1,14.355,27.2722,-4.9746,-3.9063,93.0282,27.2523,-0.03,0
+Eu(Gly)+,NA,Eu(C2H4NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-208959,-236026,49.509,89.8,50.3,8.5841,13.176,0.5767,-3.3236,57.1645,15.2476,-0.1738,1
+Eu(Gly)2,NA,Eu(C2H4NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-288477,-346709,97.734,190.4,108.7,16.6314,32.8272,-7.1514,-4.136,117.4699,35.7476,-0.03,0
+Ca(Ala)+,NA,Ca(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-209172,-247643,35.015,104.6,50.7,8.7124,13.4888,0.454,-3.3365,67.7227,18.2713,0.0279,1
+Ca(Ala)2,NA,Ca(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-285446,-365834,79.755,239.1,127.3,19.1765,39.0448,-9.6021,-4.393,146.0369,45.6768,-0.03,0
+Mg(Ala)+,NA,Mg(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-186539,-232305,8.428,109.5,46.8,8.3169,12.5282,0.821,-3.2968,74.3351,19.275,0.4322,1
+Mg(Ala)2,NA,Mg(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-263631,-353761,44.962,248.8,123,18.5836,37.5967,-9.0318,-4.3331,151.6713,47.6352,-0.03,0
+Sr(Ala)+,NA,Sr(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-211130,-248184,43.155,98.9,51.4,8.77,13.6312,0.3947,-3.3424,63.2691,17.1163,-0.0948,1
+Sr(Ala)2,NA,Sr(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-286831,-365053,90.407,228.1,128.1,19.2869,39.3109,-9.699,-4.404,139.5534,43.4233,-0.03,0
+Ba(Ala)+,NA,Ba(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-210713,-244263,56.557,93.7,56.8,9.4348,15.2528,-0.2391,-3.4095,58.4325,16.085,-0.2977,1
+Ba(Ala)2,NA,Ba(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-286687,-360171,107.946,218.2,134.1,20.104,41.3073,-10.4865,-4.4865,133.7647,41.4112,-0.03,0
+Mn(Ala)+,NA,Mn(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-134280,-173740,29.425,112.3,51.8,8.8873,13.9167,0.2842,-3.3542,73.0237,19.8433,0.1124,1
+Mn(Ala)2,NA,Mn(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-213474,-295365,72.44,254.2,128.5,19.3395,39.4414,-9.7539,-4.4094,154.8617,48.744,-0.03,0
+Fe(Ala)+,NA,Fe(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-103952,-146326,18.518,103.3,46.1,8.1661,12.1558,0.976,-3.2814,69.2856,18.01,0.2792,1
+Fe(Ala)2,NA,Fe(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-184387,-269655,58.166,236.6,122.2,18.4732,37.3244,-8.9189,-4.3219,144.5703,45.1671,-0.03,0
+Ni(Ala)+,NA,Ni(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-94227,-137691,15.46,95.2,38.5,7.1451,9.664,1.9536,-3.1784,64.9703,16.36,0.326,1
+Ni(Ala)2,NA,Ni(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-175945,-264092,50.92,220.8,113.8,17.318,34.504,-7.8105,-4.2053,135.3083,41.9478,-0.03,0
+Cu(Ala)+,NA,Cu(C3H6NO2)+,aq,SK95.1,OBIGT.2,2019-02-06,cal,-71295,-110530,25.46,108.7,43.4,7.7387,11.1165,1.3762,-3.2385,70.7759,19.11,0.0974,1
+Cu(Ala)2,NA,Cu(C3H6NO2)2,aq,SK95.1,OBIGT.2,2019-02-06,cal,-156054,-238480,65.92,247.2,119.2,18.0655,36.3271,-8.523,-4.2807,150.7452,47.3132,-0.03,0
+Zn(Ala)+,NA,Zn(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-117313,-161024,17.46,107.4,43.8,7.8514,11.3891,1.2746,-3.2497,71.8106,18.835,0.2956,1
+Zn(Ala)2,NA,Zn(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-198512,-284509,60.92,244.5,119.6,18.1164,36.4558,-8.5823,-4.286,149.2015,46.7767,-0.03,0
+Pb(Ala)+,NA,Pb(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-87891,-120835,59.148,93,53.4,8.964,14.1088,0.1992,-3.3622,57.5413,15.9017,-0.3372,1
+Pb(Ala)2,NA,Pb(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-167671,-240311,111.336,216.4,130.4,19.5944,40.0653,-10.0034,-4.4352,132.7356,41.0535,-0.03,0
+Co(Ala)+,NA,Co(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-94799,-136805,20.46,104,43.6,7.8202,11.3148,1.299,-3.2467,69.3955,18.1475,0.2482,1
+Co(Ala)2,NA,Co(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-175193,-260392,60.92,238,119.4,18.0995,36.4127,-8.5626,-4.2842,145.3423,45.4353,-0.03,0
+Cd(Ala)+,NA,Cd(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-100782,-141576,29.698,113.7,53.4,9.1151,14.4742,0.063,-3.3773,73.7914,20.1183,0.1098,1
+Cd(Ala)2,NA,Cd(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-181340,-264540,72.797,256.8,130.4,19.5944,40.0653,-10.0034,-4.4352,156.4053,49.2806,-0.03,0
+Eu(Ala)+,NA,Eu(C3H6NO2)+,aq,SK95.1,OBIGT.2,2006-09-03,cal,-206029,-242617,50.149,135,68.4,11.0532,19.2058,-1.7947,-3.5729,83.4588,24.4724,-0.2006,1
+Eu(Ala)2,NA,Eu(C3H6NO2)2,aq,SK95.1,OBIGT.2,2006-09-03,cal,-282521,-359634,99.56,298.5,147,21.8707,45.6205,-12.1799,-4.6649,180.847,57.7759,-0.03,0
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv 2020-11-10 11:20:45 UTC (rev 622)
@@ -107,8 +107,8 @@
Am(Oxal)+,NA,AmC2O4+,aq,PSK99,NA,2006-08-24,cal,-313961,-342092,-6.1,-28.9,0,0,0,0,0,-5.36,-8.9214,0.6472,1
Cm(Oxal)+,NA,CmC2O4+,aq,PSK99,NA,2006-08-24,cal,-311797,-340287,-6.3,-28.8,0,0,0,0,0,-5.3012,-8.9011,0.6472,1
Np(Oxal)+2,NA,NpC2O4+2,aq,PSK99,NA,2006-08-24,cal,-290553,-324602,-41.8,6.8,0,0,0,0,0,24.2778,-1.6493,1.6897,2
-NpO2(Oxal),NA,NpO2C2O4,aq,PSK99,CHNOSZ.4,2006-08-24,cal,-327304,-365780,23.7,17.8,0,0,0,0,0,22.4362,0.5913,0.6983,0
-NpO2(Succ),NA,NpO2C4H4O4,aq,PSK99,CHNOSZ.4,2006-08-24,cal,-334413,-389768,32.3,40.6,0,0,0,0,0,39.4934,5.2356,1.1402,0
+NpO2(Oxal),NA,NpO2C2O4,aq,PSK99,OBIGT.4,2006-08-24,cal,-327304,-365780,23.7,17.8,0,0,0,0,0,22.4362,0.5913,0.6983,0
+NpO2(Succ),NA,NpO2C4H4O4,aq,PSK99,OBIGT.4,2006-08-24,cal,-334413,-389768,32.3,40.6,0,0,0,0,0,39.4934,5.2356,1.1402,0
NpO2(Glut),NA,NpO2C5H6O4,aq,PSK99,NA,2006-08-24,cal,-356890,-419969,39,51.4,0,0,0,0,0,34.195,7.4356,-0.2506,0
NaH2AsO4,NA,NaH2AsO4,aq,MA07,MA10,2007-09-12,cal,-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,MA10,2007-09-12,cal,-244935,-274352,54.5,21.9,52.4,8.9277,14.0226,-0.484,-3.3587,18.6125,1.4173,-0.038,0
Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv 2020-11-10 10:40:16 UTC (rev 621)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv 2020-11-10 11:20:45 UTC (rev 622)
@@ -1,18 +1,18 @@
name,abbrv,formula,state,ref1,ref2,date,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
aegerine,Agt,NaFe(SiO3)2,cr,HDNB78,NA,1978-05-05,cal,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,CHNOSZ.1,1978-05-05,cal,-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,CHNOSZ.1,1978-05-05,cal,478.346,NA,36.6502,NA,64.37,50.27,10.89,-7.68,0,0,0,0,1400
+aegerine,Agt,NaFe(SiO3)2,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-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,OBIGT.1,1978-05-05,cal,478.346,NA,36.6502,NA,64.37,50.27,10.89,-7.68,0,0,0,0,1400
akermanite,Ak,Ca2MgSi2O7,cr,HDNB78,SPRONS92.2,1990-03-15,cal,-879362,-926497,50.03,NA,92.81,60.09,11.4,-11.4,0,0,0,0,1700
albite,Ab,Na(AlSi3)O8,cr,HDNB78,NA,1978-05-05,cal,-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,CHNOSZ.1,1978-05-05,cal,-886096.268,NA,53.9193,NA,100.25,81.88,3.554,-50.154,0,0,0,0,1200
+albite,Ab,Na(AlSi3)O8,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-886096.268,NA,53.9193,NA,100.25,81.88,3.554,-50.154,0,0,0,0,1200
"albite,high",Hi-Ab,NaAlSi3O8,cr,HDNB78,NA,1978-05-05,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.1,1978-05-05,cal,-884768.678,NA,50.4797,NA,100.43,64.17,13.9,-15.01,0,0,0,0,1400
+"albite,high",Hi-Ab,NaAlSi3O8,cr2,HDNB78,OBIGT.1,1978-05-05,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,1978-05-05,cal,-886308,-939680,49.51,NA,100.07,61.7,13.9,-15.01,0,0,0,0,1400
almandine,Alm,Fe3Al2Si3O12,cr,HDNB78,RH95.3,2020-07-06,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.1,2020-07-06,cal,-1181153.741,NA,78.21,NA,115.28,107.09,14.86,-10.63,0,0,0,0,1600
+almandine,Alm,Fe3Al2Si3O12,cr2,HDNB78,OBIGT.1,2020-07-06,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,1978-05-05,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,1978-05-05,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.1,1978-05-05,cal,3.895,NA,110.1233,NA,205.4,169.4,41.24,-44.37,0,0,0,0,1000
+"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,cal,3.895,NA,110.1233,NA,205.4,169.4,41.24,-44.37,0,0,0,0,1000
"amesite,7A",Ams-7A,Mg2Al(AlSi)O5(OH)4,cr,HDNB78,NA,1978-05-05,cal,NA,NA,52,NA,103,81.03,24.738,-20.23,0,0,0,0,1000
"amorphous silica",Amor-Sl,SiO2,cr,HDNB78,NA,1978-05-05,cal,-202892,-214568,14.34,NA,29,5.93,47.2,-22.78,0,0,0,0,622
analcime,Anl,NaAlSi2O6*H2O,cr,HDNB78,NA,1978-05-05,cal,-738098,-790193,56,NA,97.1,53.49,24.14,-8.88,0,0,0,0,1000
@@ -22,16 +22,16 @@
annite,Ann,KFe3(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,cal,-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,SPRONS92.2,1990-03-15,cal,-954078,-1007552,49.1,NA,100.79,63.311,14.794,-15.44,0,0,0,0,1700
anthophyllite,Ath,Mg7Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,cal,-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,CHNOSZ.1,1978-05-05,cal,-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,CHNOSZ.1,1978-05-05,cal,-2719529.932,NA,105.9454,NA,264.4,199.522,41.614,-13.342,0,0,0,0,1800
+anthophyllite,Ath,Mg7Si8O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-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,OBIGT.1,1978-05-05,cal,-2719529.932,NA,105.9454,NA,264.4,199.522,41.614,-13.342,0,0,0,0,1800
antigorite,Atg,Mg48Si34O85(OH)62,cr,HDNB78,NA,1978-05-05,cal,-15808020,-17070891,861.36,NA,1749.13,1228.45,513.76,-286.68,0,0,0,0,848
-antigorite,Atg,Mg48Si34O85(OH)62,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-15808027.845,NA,858.9133,NA,1749.13,1234.83,501.24,-281.28,0,0,0,0,1000
+antigorite,Atg,Mg48Si34O85(OH)62,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-15808027.845,NA,858.9133,NA,1749.13,1234.83,501.24,-281.28,0,0,0,0,1000
aragonite,Arg,CaCO3,cr,HDNB78,PB82,1990-03-09,cal,-269683,-288531,21.56,NA,34.15,20.13,10.24,-3.34,0,0,0,0,600
boehmite,Bhm,AlO(OH),cr,HDNB78,NA,1978-05-05,cal,-217250,-235078,11.58,NA,19.535,14.435,4.2,0,0,0,0,0,500
brucite,Brc,Mg(OH)2,cr,HDNB78,NA,1978-05-05,cal,-199646,-221390,15.09,NA,24.63,24.147,4.0124,-6.11,0,0,0,0,900
Ca-Al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,HDNB78,SPRONS92.2,1990-03-15,cal,-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,cr,HDNB78,NA,1978-05-05,cal,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,CHNOSZ.1,1978-05-05,cal,-3.895,NA,165.3767,NA,265,149.01,46.41,-16.43,0,0,0,0,1000
+Ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-3.895,NA,165.3767,NA,265,149.01,46.41,-16.43,0,0,0,0,1000
calcite,Cal,CaCO3,cr,HDNB78,PB82,1990-03-09,cal,-269880,-288552,22.15,NA,36.934,24.98,5.24,-6.2,0,0,0,0,1200
celadonite,Cln,K(MgAl)Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,cal,NA,NA,74.9,NA,157.1,80.25,25.3,-18.54,0,0,0,0,1000
chabazite,Cbz,Ca(Al2Si4)O12*6H2O,cr,HDNB78,NA,1978-05-05,cal,NA,NA,152.9,NA,247.76,146,44.47,-16.43,0,0,0,0,1000
@@ -40,24 +40,24 @@
chrysotile,Ctl,Mg3Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,cal,-964871,-1043123,52.9,NA,108.5,75.82,31.6,-17.58,0,0,0,0,1000
"clinochlore,14A",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,1978-05-05,cal,-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,cr,HDNB78,NA,1978-05-05,cal,-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,CHNOSZ.1,1978-05-05,cal,-1957104.895,NA,105.2767,NA,211.5,166.01,44.36,-38.18,0,0,0,0,900
+"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-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,SPRONS92.2,1990-03-15,cal,-1549240,-1643781,70.64,NA,136.2,106.118,25.214,-27.145,0,0,0,0,700
coesite,Cos,SiO2,cr,HDNB78,NA,1978-05-05,cal,-203541,-216614,9.65,NA,20.641,11,8.2,-2.7,0,0,0,0,848
-coesite,Cos,SiO2,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-203544.895,NA,8.4267,NA,20.641,14.19,1.94,0,0,0,0,0,2000
+coesite,Cos,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-203544.895,NA,8.4267,NA,20.641,14.19,1.94,0,0,0,0,0,2000
"cordierite,dry",Crd,Mg2Al3(AlSi5)O18,cr,HDNB78,NA,1978-05-05,cal,-2061279,-2183199,97.33,NA,233.22,143.83,25.8,-38.6,0,0,0,0,1700
"cordierite,hydrous",Hyd-Crd,Mg2Al3(AlSi5)O18*H2O,cr,HDNB78,NA,1978-05-05,cal,-2121350,-2255676,111.43,NA,241.22,155.23,25.8,-38.6,0,0,0,0,1700
corundum,Crn,Al2O3,cr,HDNB78,NA,1978-05-05,cal,-374824,-397145,12.18,NA,25.575,27.49,2.82,-8.38,0,0,0,0,1800
cristobalite,Crs,SiO2,cr,HDNB78,NA,1978-05-05,cal,-203895,-216755,10.372,NA,25.74,13.98,3.34,-3.81,0,0,0,0,543
-cristobalite,Crs,SiO2,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-203677.53,-216037.379,12.0495,NA,25.74,17.39,0.31,-9.89,0,0,0,0,2000
+cristobalite,Crs,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-203677.53,-216037.379,12.0495,NA,25.74,17.39,0.31,-9.89,0,0,0,0,2000
"cristobalite,alpha",A-Crs,SiO2,cr,HDNB78,NA,1978-05-05,cal,-203895,-216755,10.372,NA,25.74,13.98,3.34,-3.81,0,0,0,0,1000
"cristobalite,beta",B-Crs,SiO2,cr,HDNB78,NA,1978-05-05,cal,-203290,-215675,11.963,NA,27.38,17.39,0.31,-9.89,0,0,0,0,2000
"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr,HDNB78,NA,1978-05-05,cal,NA,NA,73.5,NA,110.9,84.79,41.84,-12.476,0,0,0,0,950
-"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-160.595,NA,69.3289,NA,110.9,97.3,23.24,-8.93,0,0,0,0,1050
-"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,HDNB78,CHNOSZ.1,1978-05-05,cal,957.096,NA,73.4065,NA,110.9,93.01,25,-8.93,0,0,0,0,1500
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-160.595,NA,69.3289,NA,110.9,97.3,23.24,-8.93,0,0,0,0,1050
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,HDNB78,OBIGT.1,1978-05-05,cal,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,NA,2015-08-16,cal,NA,NA,127.5,NA,271.9,185.24,58.61,-41.66,0,0,0,0,800
"daphnite,14A",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,HDNB78,SLOP98.2,1978-05-05,cal,-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,cr,HDNB78,NA,1978-05-05,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.1,1978-05-05,cal,3.159,NA,137.726,NA,221.2,175.72,46.02,-34.63,0,0,0,0,1000
+"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,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,1978-05-05,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,RH95.3,2020-07-06,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,SPRONS92.2,1990-03-15,cal,-723780,-765378,34.2,NA,66.09,52.87,7.84,-15.74,0,0,0,0,1600
@@ -65,26 +65,26 @@
"dolomite,disordered",Dis-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,cal,-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,SPRONS92.2,1990-03-15,cal,-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),cr,HDNB78,NA,1978-05-05,cal,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,CHNOSZ.1,1978-05-05,cal,-3.895,NA,159.7767,NA,271,202.9,42.52,-43.31,0,0,0,0,1000
+edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr2,HDNB78,OBIGT.1,1978-05-05,cal,-3.895,NA,159.7767,NA,271,202.9,42.52,-43.31,0,0,0,0,1000
enstatite,En,MgSiO3,cr,HDNB78,NA,1978-05-05,cal,-348930,-369686,16.2,NA,31.276,24.55,4.74,-6.28,0,0,0,0,903
-enstatite,En,MgSiO3,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-349581.153,-371758.464,11.4328,NA,31.296,28.765,0,0,0,0,0,0,1258
-enstatite,En,MgSiO3,cr3,HDNB78,CHNOSZ.1,1978-05-05,cal,-349546.21,-371843.59,11.0302,NA,32.386,29.26,0,0,0,0,0,0,1800
+enstatite,En,MgSiO3,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-349581.153,-371758.464,11.4328,NA,31.296,28.765,0,0,0,0,0,0,1258
+enstatite,En,MgSiO3,cr3,HDNB78,OBIGT.1,1978-05-05,cal,-349546.21,-371843.59,11.0302,NA,32.386,29.26,0,0,0,0,0,0,1800
epidote,Ep,Ca2FeAl2Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,cal,-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,SPRONS92.2,1990-03-15,cal,-1450906,-1544016,75.2,NA,139.2,113.78,14.69,-28.92,0,0,0,0,1100
epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr,HDNB78,NA,1978-05-05,cal,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,CHNOSZ.1,1978-05-05,cal,-7.845,NA,150.4533,NA,267.56,163.42,48.35,-16.43,0,0,0,0,1000
+epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-7.845,NA,150.4533,NA,267.56,163.42,48.35,-16.43,0,0,0,0,1000
fayalite,Fa,Fe2SiO4,cr,HDNB78,NA,1978-05-05,cal,-330233,-354119,35.45,NA,46.39,36.51,9.36,-6.7,0,0,0,0,1490
ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr,HDNB78,NA,1978-05-05,cal,NA,NA,193.7,NA,280.9,209.42,50.44,-42.36,0,0,0,0,848
-ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-3.895,NA,192.4767,NA,280.9,212.61,44.18,-39.66,0,0,0,0,1000
+ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,cal,-3.895,NA,192.4767,NA,280.9,212.61,44.18,-39.66,0,0,0,0,1000
ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,cal,NA,NA,153.5,NA,265.9,196.27,58.39,-39.01,0,0,0,0,903
-ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr2,HDNB78,CHNOSZ.1,1978-05-05,cal,-1524.649,NA,143.598,NA,265.9,204.7,48.91,-26.45,0,0,0,0,1258
-ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr3,HDNB78,CHNOSZ.1,1978-05-05,cal,-2049.966,NA,142.1727,NA,265.9,205.69,48.91,-26.45,0,0,0,0,1500
[TRUNCATED]
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svnlook diff /svnroot/chnosz -r 622
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