[CHNOSZ-commits] r925 - in pkg/CHNOSZ: . inst/extdata/OBIGT/testing

[noreply at r-forge.r-project.org]

Author: jedick
Date: 2025-06-15 06:00:42 +0200 (Sun, 15 Jun 2025)
New Revision: 925

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/extdata/OBIGT/testing/IGEM.csv
Log:
Correct formula of Cu(HS)2- in IGEM.csv


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2025-06-09 06:55:31 UTC (rev 924)
+++ pkg/CHNOSZ/DESCRIPTION	2025-06-15 04:00:42 UTC (rev 925)
@@ -1,6 +1,6 @@
-Date: 2025-06-09
+Date: 2025-06-15
 Package: CHNOSZ
-Version: 2.1.0-96
+Version: 2.1.0-97
 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/extdata/OBIGT/testing/IGEM.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/testing/IGEM.csv	2025-06-09 06:55:31 UTC (rev 924)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/testing/IGEM.csv	2025-06-15 04:00:42 UTC (rev 925)
@@ -10,7 +10,7 @@
 AuCl,NA,AuCl,aq,TAZ24,NA,2024-11-30,HKF,cal,-1900,NA,52.2,-71.9,50.8,8.7165,13.5013,0.4435,-3.3371,-35.9711,-17.6806,0,0
 AuCl2-,NA,AuCl2-,aq,TAZ24,NA,2024-11-30,HKF,cal,-36572,NA,43.5,9.5,68.52,11.4087,20.0747,-2.1401,-3.6089,16.8432,-0.463,0.7031,-1
 CuHS,NA,CuHS,aq,TTA+23,NA,2024-11-30,HKF,cal,-2969,NA,59.1,-67.713,44.85,7.9477,11.6243,1.1812,-3.2596,-32.4272,-16.8275,0.1197,0
-Cu(HS)2-,NA,Cu(HS)-2,aq,TTA+23,NA,2024-11-30,HKF,cal,-5665,NA,56.647,7.274,79.573,13.0153,23.9975,-3.6819,-3.7711,18.2332,-1.1267,0.9517,-1
+Cu(HS)2-,NA,Cu(HS)2-,aq,TTA+23,NA,2024-11-30,HKF,cal,-5665,NA,56.647,7.274,79.573,13.0153,23.9975,-3.6819,-3.7711,18.2332,-1.1267,0.9517,-1
 CuCl,NA,CuCl,aq,TTA+23,NA,2024-11-30,HKF,cal,-23360,NA,61.777,-101.336,26.967,5.4552,5.5383,3.5732,-3.008,-52.5985,-23.9839,0,0
 CuCl2-,NA,CuCl2-,aq,TTA+23,NA,2024-11-30,HKF,cal,-58026,NA,53.111,-19.991,32.604,6.6297,8.406,2.4461,-3.1265,4.1186,-7.1067,1.0612,-1
 Cu+,NA,Cu+,aq,AZ23,NA,2024-11-30,HKF,cal,11945,NA,9.7,13.66,-7.99,0.9243,-5.5244,7.9213,-2.5506,37.8578,-8.925,0.6653,1