[CHNOSZ-commits] r184 - in pkg/CHNOSZ: . data inst inst/extdata/OBIGT tests/testthat vignettes
noreply at r-forge.r-project.org
noreply at r-forge.r-project.org
Thu Mar 9 16:05:14 CET 2017
Author: jedick
Date: 2017-03-09 16:05:13 +0100 (Thu, 09 Mar 2017)
New Revision: 184
Added:
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/inorganic_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/organic_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/organic_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/organic_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/organic_liq.csv
Removed:
pkg/CHNOSZ/inst/extdata/OBIGT/Amend_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Dick_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/LaRowe_liq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Majzlan_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Marini_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Other_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Richard_liq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Schulte_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Shock_gas.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Tardy_cr.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Tremaine_aq.csv
pkg/CHNOSZ/inst/extdata/OBIGT/Wagman_gas.csv
Modified:
pkg/CHNOSZ/DESCRIPTION
pkg/CHNOSZ/data/thermo.R
pkg/CHNOSZ/inst/NEWS
pkg/CHNOSZ/tests/testthat/test-info.R
pkg/CHNOSZ/vignettes/anintro.Rmd
pkg/CHNOSZ/vignettes/obigt.Rmd
Log:
OBIGT: name datafiles inorganic, organic, biotic
Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/DESCRIPTION 2017-03-09 15:05:13 UTC (rev 184)
@@ -1,6 +1,6 @@
-Date: 2017-03-08
+Date: 2017-03-09
Package: CHNOSZ
-Version: 1.0.8-72
+Version: 1.0.8-73
Title: Chemical Thermodynamics and Activity Diagrams
Author: Jeffrey Dick
Maintainer: Jeffrey Dick <j3ffdick at gmail.com>
Modified: pkg/CHNOSZ/data/thermo.R
===================================================================
--- pkg/CHNOSZ/data/thermo.R 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/data/thermo.R 2017-03-09 15:05:13 UTC (rev 184)
@@ -9,11 +9,10 @@
local({
# create obigt data frame
- sources_aq <- paste0(c("H2O", "Shock", "Amend", "Schulte", "LaRowe", "Dick",
- "Tremaine", "Marini", "CHNOSZ"), "_aq")
- sources_cr <- paste0(c("Helgeson", "Shock", "Tardy", "Richard", "Majzlan", "LaRowe", "Other"), "_cr")
- sources_liq <- paste0(c("Richard", "LaRowe"), "_liq")
- sources_gas <- paste0(c("Wagman", "Shock", "Richard", "Other"), "_gas")
+ sources_aq <- paste0(c("H2O", "inorganic", "organic", "biotic", "CHNOSZ"), "_aq")
+ sources_cr <- paste0(c("inorganic", "organic"), "_cr")
+ sources_liq <- paste0(c("organic"), "_liq")
+ sources_gas <- paste0(c("inorganic", "organic"), "_gas")
OBIGTdir <- system.file("extdata/OBIGT/", package="CHNOSZ")
# need explicit "/" for Windows
sourcefiles <- paste0(OBIGTdir, "/", c(sources_aq, sources_cr, sources_liq, sources_gas), ".csv")
Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/inst/NEWS 2017-03-09 15:05:13 UTC (rev 184)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.0.8-72 (2017-03-08)
+CHANGES IN CHNOSZ 1.0.8-73 (2017-03-09)
---------------------------------------
DOCUMENTATION:
@@ -100,19 +100,20 @@
NEW AND OLD DATA:
-- Split OBIGT.csv and OBIGT-2.csv into multiple files according to
- author names. All files are now under extdata/OBIGT/. Conflicting data
- from OBIGT-2.csv were removed (see below).
+- Split OBIGT.csv and OBIGT-2.csv into multiple files according to type
+ of substance (inorganic, organic, or biotic). All files are now under
+ extdata/OBIGT/. Conflicting data from OBIGT-2.csv were removed (see
+ below).
- Citations in OBIGT now have a suffix (e.g. [S92] or [S98]) if the data
were first present in sprons92.dat from SUPCRT, slop98.dat, or later
versions of the slop data files (http://geopig.asu.edu/?q=tools).
-- Canovas_aq.csv: Add data for citric acid cycle metabolites from Canovas and
- Shock, 2016.
+- Canovas_aq.csv: Add data for citric acid cycle metabolites from
+ Canovas and Shock, 2016.
-- CHNOSZ_aq.csv: Add H4SiO4 pseudospecies (pseudo-H4SiO4); see calculations
- in eos-regress.Rmd.
+- CHNOSZ_aq.csv: Add H4SiO4 pseudospecies (pseudo-H4SiO4); see
+ calculations in eos-regress.Rmd.
- Dick_aq.csv: Add data for aqueous phenanthrene and methylphenanthrene
from Dick et al., 2013.
@@ -162,8 +163,8 @@
OTHER CHANGES:
- Remove msgout(), and replace previous calls to that function with
- message() from base R. As a result, the messages don't appear in Sweave
- vignettes, but can be turned on or off in knitr vignettes.
+ message() from base R. As a result, the messages don't appear in
+ Sweave vignettes, but can be turned on or off in knitr vignettes.
- Remove HTCC1062.faa.xz.
Deleted: pkg/CHNOSZ/inst/extdata/OBIGT/Amend_aq.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/Amend_aq.csv 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/Amend_aq.csv 2017-03-09 15:05:13 UTC (rev 184)
@@ -1,40 +0,0 @@
-name,abbrv,formula,state,ref1,ref2,date,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
-alanine,Ala,C3H7NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-88810,-132500,38.83,33.6,60.4,14.9,1.74,7.16,-3.69,49.5,-7,0.18,0
-arginine,Arg,C6H14N4O2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-57360,-143060,80.06,67.4,123.9,28.83,8.21,7.2,-5.95,94.8,-12.5,0.22,0
-argininium,Arg+,C6H15N4O2+,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-69930,-154880,82.57,77.6,122.5,31.72,0.22,5.46,-5.15,103.8,-9.6,0.73,0
-argininate,Arg-,C6H13N4O2-,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-40340,-129420,68.72,81.1,143,31.28,13.76,32.12,-9.94,141.9,-19.6,2.3,0
-asparagine,Asn,C4H8N2O3,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-125490,-182700,57.88,30.8,77.4,19.83,2.37,3.76,-4.81,56.5,-11.7,0.21,0
-"aspartic acid",Asp,C4H7NO4,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-172510,-226340,55.22,32.4,74.7,18.96,3.05,-6.62,-2.23,58.1,-11.9,0.17,0
-aspartate,Asp-,C4H6NO4-,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-167170,-224540,43.34,2.7,64.8,16.96,5.77,10.11,-6.37,56.3,-15.3,2.47,0
-cysteine,Cys,C3H7NO2S,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-80330,-124070,46.32,47.1,73.5,18.14,2.4,9.31,-4.97,59.8,-5.6,0.15,0
-cysteinate,Cys-,C3H6NO2S-,aq,"AH97b [S07]","DLH06.1 [S07]",28.Nov.06,-68920,-115440,37.01,19.1,60.6,14.44,5.08,12.24,-3.68,61,-9.5,2.59,0
-glutamine,Gln,C5H10N2O3,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-126280,-191860,62.41,43.8,93.7,23.22,3.58,5.44,-5.23,68.6,-11.4,0.18,0
-"glutamic acid",Glu,C5H9NO4,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-173050,-234820,61.2,43.5,90.2,22.3,4.23,6.55,-5.84,65.2,-10,0.15,0
-glutamate,Glu-,C5H8NO4-,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-167210,-234150,43.86,7.6,80,20.49,6.96,10.86,-7.02,47.6,-7.8,2.65,0
-glycine,Gly,C2H5NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-90950,-124780,39.29,9.3,43.2,11.3,0.71,3.99,-3.04,28.5,-8.4,0.23,0
-glycinium,Gly+,C2H6NO2+,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-94160,-125720,46.91,40,56.4,19.57,-7.58,-40.35,5.41,49,-1.8,0.59,0
-histidine,His,C6H9N3O2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-48420,-108200,66,56.2,99.3,24.32,4.8,7.52,-6.05,81.6,-11.3,0.27,0
-histidinium,His+,C6H10N3O2+,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-56700,-115250,70.13,59.1,97,26.64,-3.4,-0.88,-3.07,88,-12,0.5,0
-isoleucine,Ile,C6H13NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-81990,-151600,49.7,91.6,105.8,24.49,6.55,18.16,-7.76,99.7,-3.6,0.09,0
-leucine,Leu,C6H13NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-84200,-153600,50.41,95.2,107.8,24.68,7.51,19.93,-8.37,102.7,-3.3,0.09,0
-lysine,Lys,C6H14N2O2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-80680,-159330,57.91,63.8,108.6,24.56,8.3,24.43,-9.53,86.6,-10.9,0.07,0
-lysinium,Lys+,C6H15N2O2+,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-92890,-170370,61.82,67.9,107.5,28.62,-1.51,4.47,-3.99,95.2,-8,1.21,0
-lysinate,Lys-,C6H13N2O2-,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-66310,-146340,53.27,72.8,112.2,28.29,10.53,2.97,-7.61,133.7,-18,2.67,0
-phenylalanine,Phe,C9H11NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-49430,-108900,56.6,93.8,122.1,28.27,8.8,19.34,-9.38,108.1,-6.5,0.12,0
-proline,Pro,C5H9NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-73560,-124100,49.83,43,82.6,19.39,4.87,11.88,-5.68,63.6,-9.5,0.14,0
-serine,Ser,C3H7NO3,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-123930,-172420,47.24,27.8,60.6,15.69,0.73,3.87,-3.49,48.5,-9.4,0.18,0
-threonine,Thr,C4H9NO3,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-119830,-178940,44.23,50.1,77.6,18.94,2.83,8.87,-4.87,65.5,-7.1,0.11,0
-tryptophan,Trp,C11H12N2O2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-26820,-97590,59.96,99.6,143.6,33.91,9.21,14.78,-9.36,116.8,-7.8,0.15,0
-tyrosine,Tyr,C9H11NO3,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-91800,-157740,59.41,80.2,124.5,30.06,8.49,8.36,-8.58,106.2,-12.4,0.09,0
-tyrosinate,Tyr-,C9H10NO3-,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-79380,-149420,45.66,51.2,111.8,26.34,10.49,16.42,-7.59,109,-16,2.78,0
-valine,Val,C5H11NO2,aq,"AH97b [S07]","DLH06.1 [S07]",25.Aug.06,-85330,-146420,45.68,74,90.9,21.35,4.48,14.58,-6.12,83.8,-4.3,0.12,0
-xylose,xylose,C5H10O5,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-179252,-249771,48.7,65.97,95.7,22.5,5.016,7.715,-4.681,107.74,-19.896,0.1672,0
-arabinose,arabinose,C5H10O5,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-177279,-249305,43.64,67.16,93.3,22.48,4.92,6.903,-5.398,110.75,-20.78,0.1672,0
-lyxose,lyxose,C5H10O5,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-178929,-249998,47.05,67.4,94.2,22.64,5.493,4.419,-5.064,110.97,-20.78,0.1672,0
-xylulose,xylulose,C5H10O5,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-178215,-245928,58.11,76.24,94.7,22.33,5.971,7.715,-5.493,119.81,-20.78,0.1672,0
-ribulose,ribulose,C5H10O5,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-175776,-244344,55.25,76.24,94.7,22.33,5.971,7.715,-5.493,119.81,-20.78,0.1672,0
-glucose,glucose,C6H12O6,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-218759,-301469,64.85,86.76,112.2,26.3,6.831,10.485,-6.306,115.89,-12.826,0.215,0
-mannose,mannose,C6H12O6,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-217586,-300626,63.75,81.26,111.9,26.56,5.446,6.712,-5.064,111.78,-14.14,0.215,0
-galactose,galactose,C6H12O6,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-217094,-299800,64.87,90.58,110.7,27.25,4.825,2.508,-5.279,128.07,-17.77,0.215,0
-fructose,fructose,C6H12O6,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-218666,-300798,66.78,84.13,111,26.23,7.5,9.554,-6.998,127.95,-20.756,0.215,0
-sorbose,sorbose,C6H12O6,aq,"AP01 [S07]",SLOP07.2,13.Nov.07,-217816,-301734,60.81,84.13,111,26.23,7.5,9.554,-6.998,127.95,-20.756,0.215,0
Deleted: pkg/CHNOSZ/inst/extdata/OBIGT/Dick_aq.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/Dick_aq.csv 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/Dick_aq.csv 2017-03-09 15:05:13 UTC (rev 184)
@@ -1,72 +0,0 @@
-name,abbrv,formula,state,ref1,ref2,date,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
-methionine,Met,C5H11NO2S,aq,DLH06.1 [S07],LD12.2 [S15],10.Jul.15,-76959.8,-135210.3,62.81,70.7,105.4,24.95,6.9,13.59,-7.77,85.3,-6.6,0.13,0
-[Ala],NA,CH3,aq,DLH06 [S15],NA,25.Aug.06,-3936,-13290,16.85,35.671,26.864,5.43,3.6,4.39,-1.92,27.9,3.6,-0.05,0
-[Arg],NA,C4H10N3,aq,DLH06 [S15],NA,25.Aug.06,31624,-20730,54.75,74.167,105.825,18.08,13.39,50.81,-10.09,73.2,-1.9,-0.53,0
-[Arg+],NA,C4H11N3+,aq,DLH06 [S15],NA,25.Aug.06,14943,-35670,60.59,79.677,88.906,22.25,2.08,2.69,-3.38,82.2,1,0.5,0
-[Asn],NA,C2H4NO,aq,DLH06 [S15],NA,25.Aug.06,-40615,-63490,35.9,32.847,43.826,10.36,4.23,0.99,-3.04,34.9,-1.1,-0.02,0
-[Asp],NA,C2H3O2,aq,DLH06 [S15],NA,25.Aug.06,-87635,-107130,33.24,34.405,41.116,9.49,4.91,-9.39,-0.46,36.5,-1.3,-0.06,0
-[Asp-],NA,C2H2O2-,aq,DLH06 [S15],NA,25.Aug.06,-82293,-105330,21.36,4.742,31.224,7.49,7.63,7.34,-4.6,34.7,-4.7,2.24,0
-[Cys],NA,CH3S,aq,DLH06 [S15],NA,25.Aug.06,4545,-4860,24.34,49.089,39.913,8.67,4.26,6.54,-3.2,38.2,5,-0.08,0
-[Cys-],NA,CH2S-,aq,DLH06 [S15],NA,25.Aug.06,15950,3770,15.03,21.137,26.985,4.96,6.97,9.58,-1.94,39.4,1.1,2.25,0
-[Gln],NA,C3H6NO,aq,DLH06 [S15],NA,25.Aug.06,-41404,-72650,40.43,45.83,60.078,13.75,5.44,2.67,-3.46,47,-0.8,-0.05,0
-[Glu],NA,C3H5O2,aq,DLH06 [S15],NA,25.Aug.06,-88177,-115610,39.22,45.548,56.621,12.83,6.09,3.78,-4.07,43.6,0.6,-0.08,0
-[Glu-],NA,C3H4O2-,aq,DLH06 [S15],NA,25.Aug.06,-82337,-114940,21.88,9.643,46.365,11.02,8.82,8.09,-5.25,26,2.8,2.42,0
-[Gly],NA,H,aq,DLH06 [S15],NA,25.Aug.06,-6075,-5570,17.31,11.371,9.606,1.83,2.57,1.22,-1.27,6.9,2.2,0,0
-[His],NA,C4H5N2,aq,DLH06 [S15],NA,25.Aug.06,36456,11010,44.02,58.213,65.753,14.85,6.66,4.75,-4.28,60,-0.7,0.04,0
-[His+],NA,C4H6N2+,aq,DLH06 [S15],NA,25.Aug.06,28175,3960,48.15,61.095,63.454,17.17,-1.54,-3.65,-1.3,66.4,-1.4,0.27,0
-[Ile],NA,C4H9,aq,DLH06 [S15],NA,25.Aug.06,2886,-32390,27.72,93.6,72.204,15.02,8.41,15.39,-5.99,78.1,7,-0.14,0
-[Leu],NA,C4H9,aq,DLH06 [S15],NA,25.Aug.06,675,-34390,28.43,97.21,74.2,15.21,9.37,17.16,-6.6,81.1,7.3,-0.14,0
-[Lys],NA,C4H10N,aq,DLH06 [S15],NA,25.Aug.06,5657,-37650,39.3,65.848,75.048,15.09,10.16,21.66,-7.76,65,-0.3,-0.16,0
-[Lys+],NA,C4H11N+,aq,DLH06 [S15],NA,25.Aug.06,-8014,-51160,39.84,69.955,73.89,19.15,0.35,1.7,-2.22,73.6,2.6,0.98,0
-[Met],NA,C3H7S,aq,DLH06 [S15],LD12.3,10.Jul.15,7911.1,-16001.4,40.82,72.739,71.832,15.48,8.76,10.82,-6,63.7,4,-0.1,0
-[Phe],NA,C7H7,aq,DLH06 [S15],NA,25.Aug.06,35444,10310,34.62,95.834,88.545,18.8,10.66,16.57,-7.61,86.5,4.1,-0.11,0
-[Pro],NA,C3H5,aq,DLH06 [S15],NA,25.Aug.06,11314,-4890,27.85,45.055,49.049,9.92,6.73,9.11,-3.91,42,1.1,-0.09,0
-[Ser],NA,CH3O,aq,DLH06 [S15],NA,25.Aug.06,-39054,-53210,25.26,29.794,27.042,6.22,2.59,1.1,-1.72,26.9,1.2,-0.05,0
-[Thr],NA,C2H5O,aq,DLH06 [S15],NA,25.Aug.06,-34956,-59730,22.25,52.106,44.03,9.47,4.69,6.1,-3.1,43.9,3.5,-0.12,0
-[Trp],NA,C9H8N,aq,DLH06 [S15],NA,25.Aug.06,58053,21620,37.98,101.619,110.045,24.44,11.07,12.01,-7.59,95.2,2.8,-0.08,0
-[Tyr],NA,C7H7O,aq,DLH06 [S15],NA,25.Aug.06,-6924,-38530,37.43,82.218,90.904,20.59,10.35,5.59,-6.81,84.6,-1.8,-0.14,0
-[Tyr-],NA,C7H6O-,aq,DLH06 [S15],NA,25.Aug.06,5495,-30210,23.68,53.196,78.168,16.87,12.35,13.65,-5.82,87.4,-5.4,2.55,0
-[Val],NA,C3H7,aq,DLH06 [S15],NA,25.Aug.06,-456,-27210,23.7,76.004,57.279,11.88,6.34,11.81,-4.35,62.2,6.3,-0.11,0
-[AABB],NA,C2H4NO2,aq,DLH06 [S15],NA,25.Aug.06,-84875,-119210,21.98,-2.036,33.585,9.47,-1.86,2.77,-1.77,21.6,-10.6,0.23,0
-[AABB+],NA,C2H5NO2+,aq,DLH06 [S15],NA,25.Aug.06,-88003,-119580,31.23,28.596,36.219,11.5,-4.58,-13.96,2.37,42.1,-4,0.59,0
-[AABB-],NA,C2H3NO2-,aq,DLH06 [S15],NA,25.Aug.06,-71967,-108690,13.97,6.95,37.165,13.2,0.37,-18.69,0.15,68.7,-17.7,2.83,0
-[UPBB],NA,C2H2NO,aq,DLH06 [S15],NA,25.Aug.06,-21436,-45220,1.62,-4.496,26.296,8.1,-3.75,-6.73,1.13,11.2,-7.5,0.05,0
-[-CH2-],NA,CH2,aq,DLH06 [S15],NA,25.Aug.06,2240,-5670,6.07,20.7,16,3.49,2.15,3.09,-1.7,16,2.3,0,0
-[-CH3],NA,CH3,aq,DLH06 [S15],NA,25.Aug.06,-2190,-12460,13.78,35.8,27.1,5.55,3.6,3.96,-1.92,31.5,1.9,-0.05,0
-[-CHCH3-],NA,C2H4,aq,DLH06 [S15],NA,25.Aug.06,3470,-12480,11.71,39.9,31.2,6.2,3.62,10.12,-2.98,30.1,4.4,-0.09,0
-[-CH2NH2],NA,CH4N,aq,DLH06 [S15],CHNOSZ.8 [S15],31.Aug.06,7040,-12430,21.44,22.6,29.3,5.55,3.71,9.49,-2.66,25.9,-2.5,-0.19,0
-[-CH2OH],NA,CH3O,aq,DLH06 [S15],NA,25.Aug.06,-41530,-56790,21.57,28.5,26.7,5.86,2.59,3.03,-1.72,26.2,0.9,-0.05,0
-[-CONH2],NA,CH2NO,aq,DLH06 [S15],NA,25.Aug.06,-46550,-61420,30.14,5,28.2,7.02,1.14,-5.03,-0.06,14.5,-4.9,-0.05,0
-[-COOH],NA,CHO2,aq,DLH06 [S15],NA,25.Aug.06,-92570,-104380,26.41,5.3,24.5,5.82,1.79,-2.4,-0.67,12.9,-4.1,-0.08,0
-[-C6H5],NA,C6H5,aq,DLH06 [S15],NA,25.Aug.06,31660,15170,31.02,75.1,72.6,15.33,8.51,13.47,-5.91,70.4,1.8,-0.11,0
-[di.corr],NA,C0,aq,DLH06 [S15],NA,25.Aug.06,0,0,0,-13.5,3.2,0.06,-1.48,-0.05,2.32,-0.1,-6.7,-0.02,0
-glutathione,GSH,C10H17N3O6S,aq,Dic07,NA,25.Feb.07,-217454,-335690,106.09,115.9,193.6,49.3,3.56,0.85,-8.05,153.5,-17.8,0.17,0
-"glutathione,ox",GSSG,C20H32N6O12S2,aq,Dic07,NA,25.Feb.07,-428031,-661380,NA,201.6,365,94.48,4.22,-0.04,-15.66,276,-34.8,0.44,0
-cystine,NA,C6H12N2O4S2,aq,Dic07,NA,25.Feb.07,-150781,-238140,NA,64,124.8,32.16,1.9,16.88,-9.5,88.6,-10.4,0.4,0
-[CysS],NA,CH2S,aq,Dic07,NA,25.Feb.07,9484.5,140,NA,33.84,28.75,6.61,2.81,5.67,-2.98,22.7,5.4,-0.03,0
-Gly-Ala-Gly,GAG,C7H13N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,68.2,130.5,0,0,0,0,85.8,-15.8,-1.59,0
-Gly-Arg+-Gly,GRG+,C10H21N6O4+,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,84.8,184.9,0,0,0,0,116,-20,-1.04,1
-Gly-Asn-Gly,GNG,C8H14N4O5,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,66.6,150.1,0,0,0,0,89,-18,-1.56,0
-Gly-Asp-Gly,GDG,C8H13N3O6,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,65.4,143.6,0,0,0,0,78.9,-13.8,-1.6,0
-Gly-Cys-Gly,GCG,C7H13N3O4S,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,79.8,143.7,0,0,0,0,89,-11.8,-1.62,0
-Gly-Gln-Gly,GQG,C9H16N4O5,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,76.8,162.5,0,0,0,0,100.5,-18.8,-1.59,0
-Gly-Glu-Gly,GEG,C9H15N3O6,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,77.9,159.9,0,0,0,0,94.6,-15.5,-1.62,0
-Gly-Gly-Gly,GGG,C6H11N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,44.2,112.1,0,0,0,0,63.9,-16.6,-1.54,0
-Gly-His-Gly,GHG,C10H15N5O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,92.2,172,0,0,0,0,151.9,-36.1,-1.5,0
-Gly-Ile-Gly,GIG,C10H19N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,124.1,176.9,0,0,0,0,122.6,-6.8,-1.68,0
-Gly-Leu-Gly,GLG,C10H19N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,125.2,176.4,0,0,0,0,129.4,-9.6,-1.68,0
-Gly-Lys+-Gly,GKG+,C10H21N4O4+,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,112,177,0,0,0,0,180,-36,-0.56,1
-Gly-Met-Gly,GMG,C9H17N3O4S,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,101.7,177,0,0,0,0,105.9,-9.4,-1.64,0
-Gly-Phe-Gly,GFG,C13H17N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,120.5,193.1,0,0,0,0,128.4,-11.3,-1.65,0
-Gly-Pro-Gly,GPG,C9H15N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,70.2,145.2,0,0,0,0,91.5,-17.8,-1.63,0
-Gly-Ser-Gly,GSG,C7H13N3O5,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,60.1,130.2,0,0,0,0,77.5,-15.7,-1.59,0
-Gly-Thr-Gly,GTG,C8H15N3O5,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,80.9,145.8,0,0,0,0,99.3,-16.5,-1.66,0
-Gly-Tyr-Gly,GYG,C13H17N3O5,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,107.2,194.9,0,0,0,0,126.8,-17.2,-1.68,0
-Gly-Val-Gly,GVG,C9H17N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,104.9,160.3,0,0,0,0,111.8,-10.8,-1.65,0
-[GXGBB],NA,C6H10N3O4,aq,DLH06.2,NA,10.Sep.11,NA,NA,NA,30.9,103.2,0,0,0,0,52.6,-17.6,-1.54,0
-phenanthrene,NA,C14H10,aq,DEH+13,NA,13.Dec.12,300730,155570,246.9,447.3,161.6,NA,NA,NA,NA,NA,NA,NA,0
-1-methylphenanthrene,NA,C15H12,aq,DEH+13,NA,13.Dec.12,299310,128600,297.6,549.4,165.6,NA,NA,NA,NA,NA,NA,NA,0
-2-methylphenanthrene,NA,C15H12,aq,DEH+13,NA,13.Dec.12,293740,120150,287.9,539.8,171.1,NA,NA,NA,NA,NA,NA,NA,0
-3-methylphenanthrene,NA,C15H12,aq,DEH+13,NA,13.Dec.12,294290,120610,287.7,539.8,171.1,NA,NA,NA,NA,NA,NA,NA,0
-4-methylphenanthrene,NA,C15H12,aq,DEH+13,NA,13.Dec.12,330230,152660,274.6,569.2,177.6,NA,NA,NA,NA,NA,NA,NA,0
-9-methylphenanthrene,NA,C15H12,aq,DEH+13,NA,13.Dec.12,298090,126760,295.5,549.4,165.6,NA,NA,NA,NA,NA,NA,NA,0
Deleted: pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv 2017-03-08 15:20:09 UTC (rev 183)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/Helgeson_cr.csv 2017-03-09 15:05:13 UTC (rev 184)
@@ -1,245 +0,0 @@
-name,abbrv,formula,state,ref1,ref2,date,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
-acanthite,Acn,Ag2S,cr1,"HDNB78 [S92]",NA,5.May.78,-9446,-7550,34.3,NA,34.2,15.63,8.6,0,0,0,0,0,450
-acanthite,Acn,Ag2S,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-9235.197,-7024.866,35.3543,NA,34.2,1.819,53,0,0,0,0,0,620
-acanthite,Acn,Ag2S,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-8227.324,-4960.457,38.898,NA,34.2,21.6,0,0,0,0,0,0,1000
-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",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
-"albite,high",Hi-Ab,NaAlSi3O8,cr1,"HDNB78 [S92]",NA,5.May.78,-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 [S92]",CHNOSZ.1,5.May.78,-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 [S92]",NA,5.May.78,-886308,-939680,49.51,NA,100.07,61.7,13.9,-15.01,0,0,0,0,1400
-almandine,Alm,Fe3Al2Si3O12,cr1,"HDNB78 [S92]",NA,5.May.78,NA,NA,75.6,NA,115.28,97.52,33.64,-18.73,0,0,0,0,848
-almandine,Alm,Fe3Al2Si3O12,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-11.741,NA,71.93,NA,115.28,107.09,14.86,-10.63,0,0,0,0,1600
-alunite,Alu,KAl3(OH)6(SO4)2,cr,"HDNB78 [S92]",NA,5.May.78,-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,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,3.895,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 [S92]",NA,5.May.78,NA,NA,52,NA,103,81.03,24.738,-20.23,0,0,0,0,1000
-"amorphous silica",Amor-Sl,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,-202892,-214568,14.34,NA,29,5.93,47.2,-22.78,0,0,0,0,622
-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",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",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
-antigorite,Atg,Mg48Si34O85(OH)62,cr1,"HDNB78 [S92]",NA,5.May.78,-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 [S92]",CHNOSZ.1,5.May.78,-15808027.845,NA,858.9133,NA,1749.13,1234.83,501.24,-281.28,0,0,0,0,1000
-aragonite,Arg,CaCO3,cr,"HDNB78 [S92]","PB82 [S92]",9.Mar.90,-269683,-288531,21.56,NA,34.15,20.13,10.24,-3.34,0,0,0,0,600
-artinite,Art,Mg2(OH)2(CO3)*3H2O,cr,"HDNB78 [S92]",NA,5.May.78,-613915,-698043,55.67,NA,96.9,70.87,27.66,-7.43,0,0,0,0,1000
-azurite,Azr,Cu3(OH)2(CO3)2,cr,"HDNB78 [S92]",NA,5.May.78,-334417,-390100,66.97,NA,91.01,36.88,77.44,-0.92,0,0,0,0,780
-barite,Brt,BaSO4,cr,"HDNB78 [S92]",NA,5.May.78,-325563,-352100,31.6,NA,52.1,33.8,0,-8.43,0,0,0,0,1422
-boehmite,Bhm,AlO(OH),cr,"HDNB78 [S92]",NA,5.May.78,-217250,-235078,11.58,NA,19.535,14.435,4.2,0,0,0,0,0,500
-bornite,Bn,Cu5FeS4,cr1,"HDNB78 [S92]","PK70 [S92]",5.May.78,-86704,-79922,99.29,NA,98.6,49.76,35.08,-1.35,0,0,0,0,485
-bornite,Bn,Cu5FeS4,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-86373.231,-78463.256,103.0733,NA,98.6,-34.31,247,0,0,0,0,0,540
-bornite,Bn,Cu5FeS4,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-86513.642,-80947.917,95.2106,NA,98.6,80.33,-2.04,0,0,0,0,0,1200
-bromellite,Brm,BeO,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,3.38,NA,8.309,8.45,4,-3.17,0,0,0,0,1200
-brucite,Brc,Mg(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-199646,-221390,15.09,NA,24.63,24.147,4.0124,-6.11,0,0,0,0,900
-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",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
-celadonite,Cln,K(MgAl)Si4O10(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,74.9,NA,157.1,80.25,25.3,-18.54,0,0,0,0,1000
-celestite,Cls,SrSO4,cr,"HDNB78 [S92]",NA,5.May.78,-320435,-347300,28,NA,46.25,21.8,13.3,0,0,0,0,0,1500
-cerussite,Cer,PbCO3,cr,"HDNB78 [S92]",NA,5.May.78,-150370,-168000,31.3,NA,40.59,12.39,28.6,0,0,0,0,0,800
-chabazite,Cbz,Ca(Al2Si4)O12*6H2O,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,152.9,NA,247.76,146,44.47,-16.43,0,0,0,0,1000
-chalcedony,Cha,SiO2,cr,"HDNB78 [S92]",NA,5.May.78,-204276,-217282,9.88,NA,22.688,11.22,8.2,-2.7,0,0,0,0,848
-chalcocite,Cc,Cu2S,cr1,"HDNB78 [S92]",NA,5.May.78,-20626,-19000,28.9,NA,27.48,12.63,18.82,0,0,0,0,0,376
-chalcocite,Cc,Cu2S,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-20479.051,-18494.843,30.1015,NA,27.48,26.78,-7.35,0,0,0,0,0,717
-chalcocite,Cc,Cu2S,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-19940.435,-17064.666,33.0917,NA,27.48,20.32,0,0,0,0,0,0,1400
-chalcopyrite,Ccp,CuFeS2,cr1,"HDNB78 [S92]","PK70 [S92]",5.May.78,-44900,-44453,31.15,NA,42.83,20.79,12.8,-1.34,0,0,0,0,830
-chalcopyrite,Ccp,CuFeS2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-34590.133,-15235.889,94.5651,NA,42.83,-141.4,210,0,0,0,0,0,930
-chalcopyrite,Ccp,CuFeS2,cr3,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-46119.409,-49143.645,19.5073,NA,42.83,41.22,0,0,0,0,0,0,1200
-chloritoid,Cld,FeAl2SiO5(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,NA,NA,42.1,NA,69.8,60.63,17.13,-13.63,0,0,0,0,1000
-chrysotile,Ctl,Mg3Si2O5(OH)4,cr,"HDNB78 [S92]",NA,5.May.78,-964871,-1043123,52.9,NA,108.5,75.82,31.6,-17.58,0,0,0,0,1000
-cinnabar,Cin,HgS,cr,"HDNB78 [S92]",NA,5.May.78,-10940,-12750,19.7,NA,28.416,10.46,3.72,0,0,0,0,0,618
-"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",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
-cordierite,Crd,Mg2Al3(AlSi5)O18,cr,"HDNB78 [S92]",NA,5.May.78,-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 [S92]",NA,5.May.78,-2121350,-2255676,111.43,NA,241.22,155.23,25.8,-38.6,0,0,0,0,1700
-corundum,Crn,Al2O3,cr,"HDNB78 [S92]",NA,5.May.78,-374824,-397145,12.18,NA,25.575,27.49,2.82,-8.38,0,0,0,0,1800
-covellite,Cv,CuS,cr,"HDNB78 [S92]",NA,5.May.78,-12612,-12500,15.9,NA,20.42,10.6,2.64,0,0,0,0,0,1273
-cristobalite,Crs,SiO2,cr1,"HDNB78 [S92]",NA,5.May.78,-203895,-216755,10.372,NA,25.74,13.98,3.34,-3.81,0,0,0,0,543
-cristobalite,Crs,SiO2,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-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 [S92]",NA,5.May.78,-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 [S92]",NA,5.May.78,-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,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,-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 [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,16.Aug.15,NA,NA,127.5,NA,271.9,185.24,58.61,-41.66,0,0,0,0,800
-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",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",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",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
-ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,-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,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,-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 [S92]",CHNOSZ.1,5.May.78,-2049.966,NA,142.1727,NA,265.9,205.69,48.91,-26.45,0,0,0,0,1500
-ferropargasite,Fe-Prg,Na(Ca2Fe4Al)(Al2Si6)O22(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-2526187,-2686900,185.5,NA,279.89,213.57,42.99,-47.29,0,0,0,0,1000
-ferrosilite,Fs,FeSiO3,cr1,"HDNB78 [S92]","Hel85 [S92]",5.May.78,-267588,-285658,21.63,NA,32.952,26.49,5.07,-5.55,0,0,0,0,413
-ferrosilite,Fs,FeSiO3,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,-267566.749,-285550.307,21.9199,NA,33.008,23.865,8.78,-4.7,0,0,0,0,1400
-ferrotremolite,Fe-Tr,(Ca2Fe5)Si8O22(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,-2349100,-2511300,163.5,NA,282.8,197.93,58.95,-41.17,0,0,0,0,800
-ferrous-oxide,Frs-Ox,FeO,cr,"HDNB78 [S92]",NA,5.May.78,-60097,-65020,14.52,NA,12,12.122,2.072,-0.75,0,0,0,0,1600
-fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr1,"HDNB78 [S92]",NA,5.May.78,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 [S92]",CHNOSZ.1,5.May.78,-3.895,NA,145.4767,NA,272.5,198.42,40.48,-42.22,0,0,0,0,1000
-fluorite,Fl,CaF2,cr,"HDNB78 [S92]",NA,5.May.78,-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 [S92]","RHF79.1 [S92]",5.May.78,NA,NA,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 [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",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
[TRUNCATED]
To get the complete diff run:
svnlook diff /svnroot/chnosz -r 184
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