[CHNOSZ-commits] r120 - in pkg/CHNOSZ: . data inst

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

Author: jedick
Date: 2017-01-07 08:20:14 +0100 (Sat, 07 Jan 2017)
New Revision: 120

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/data/OBIGT.csv
   pkg/CHNOSZ/inst/NEWS
Log:
correct charge (-2) of NAD(red)-2 in OBIGT.csv


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2017-01-01 10:48:01 UTC (rev 119)
+++ pkg/CHNOSZ/DESCRIPTION	2017-01-07 07:20:14 UTC (rev 120)
@@ -1,6 +1,6 @@
-Date: 2017-01-01
+Date: 2017-01-07
 Package: CHNOSZ
-Version: 1.0.8-7
+Version: 1.0.8-9
 Title: Chemical Thermodynamics and Activity Diagrams
 Author: Jeffrey Dick
 Maintainer: Jeffrey Dick <j3ffdick at gmail.com>

Modified: pkg/CHNOSZ/data/OBIGT.csv
===================================================================
--- pkg/CHNOSZ/data/OBIGT.csv	2017-01-01 10:48:01 UTC (rev 119)
+++ pkg/CHNOSZ/data/OBIGT.csv	2017-01-07 07:20:14 UTC (rev 120)
@@ -1733,7 +1733,7 @@
 NicMP(ox)-,NicMP(ox)-,C11H14N2O8P-,aq,LH06b,NA,18.Aug.03,-321595,-451607,65,20.9799235181644,173,2.3608,117.0671,-18.926,-2.0606,90.2,-19.27,3.3,-1
 H2NAD(red),H2NAD(red),C21H29N7O14P2,aq,LH06b,NA,18.Aug.03,-529740,-780727,163,218.499043977055,346.4,-2.4077,248.0632,-40.2552,-1.9178,325.35,-29.71,5.1,0
 HNAD(red)-,HNAD(red)-,C21H28N7O14P2-,aq,LH06b,NA,18.Aug.03,-527640,-782627,149.6,197.108030592734,341,-2.576,247.6555,-40.1024,-1.9009,326.5,-34.07,6.6,-1
-NAD(red)-2,NAD(red)-2,C21H27N7O14P2-2,aq,LH06b,NA,18.Aug.03,-524440,-783127,137.2,177.198852772467,335.8,-2.6089,247.5732,-40.0662,-1.8975,331.15,-38.1,8.4,-1
+NAD(red)-2,NAD(red)-2,C21H27N7O14P2-2,aq,LH06b,NA,18.Aug.03,-524440,-783127,137.2,177.198852772467,335.8,-2.6089,247.5732,-40.0662,-1.8975,331.15,-38.1,8.4,-2
 H2NAD(ox)+,H2NAD(ox)+,C21H28N7O14P2+,aq,LH06b,NA,18.Aug.03,-535110,-773667,173.5,210.994263862333,346.5,-2.4073,248.1355,-40.2572,-1.9208,323.69,-32.58,5.1,1
 HNAD(ox),HNAD(ox),C21H27N7O14P2,aq,LH06b,NA,18.Aug.03,-533010,-775567,160,189.698852772467,341.1,-2.5756,247.7278,-40.1044,-1.9039,324.84,-36.94,6.6,0
 NAD(ox)-,NAD(ox)-,C21H26N7O14P2-,aq,LH06b,NA,18.Aug.03,-529810,-776067,147.6,169.694072657744,335.9,-2.6085,247.6455,-40.0682,-1.9005,329.5,-40.97,8.4,-1

Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2017-01-01 10:48:01 UTC (rev 119)
+++ pkg/CHNOSZ/inst/NEWS	2017-01-07 07:20:14 UTC (rev 120)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.0.8-7 (2017-01-01)
+CHANGES IN CHNOSZ 1.0.8-8 (2017-01-07)
 --------------------------------------
 
 - Add "AA" as a keyword for preset species in basis() (cysteine,
@@ -24,6 +24,9 @@
 
 - Add demo bugstab.R.
 
+- Correct charge (-2) of NAD(red)-2 in OBIGT.csv. Thanks to Peter
+  Canovas.
+
 CHANGES IN CHNOSZ 1.0.8 (2016-05-28)
 ------------------------------------