Author: tlinnet
Date: Sun Dec 7 14:00:08 2014
New Revision: 26995
URL: http://svn.gna.org/viewcvs/relax?rev=26995&view=rev
Log:
Merged revisions 26991-26994 via svnmerge from
svn+ssh://tlinnet@xxxxxxxxxxx/svn/relax/trunk
........
r26991 | tlinnet | 2014-12-07 13:25:20 +0100 (Sun, 07 Dec 2014) | 3 lines
Fix for the window size in user function dx.map.
The size of the windows was not compatible with the latest change.
........
r26992 | tlinnet | 2014-12-07 13:42:09 +0100 (Sun, 07 Dec 2014) | 1 line
Documentation fix in the manual for the lower and upper bonds for
parameters in the grid search.
........
r26993 | tlinnet | 2014-12-07 13:53:14 +0100 (Sun, 07 Dec 2014) | 1 line
Documentation fix in the manual for the lower and upper bonds for
parameters in the minimisation.
........
r26994 | tlinnet | 2014-12-07 13:53:16 +0100 (Sun, 07 Dec 2014) | 3 lines
Documentation fix in the manual for the scaling values of parameters in the
minimisation.
The scaling helps the minimisers to make the same step size for all
parameters when moving in the chi2 space.
........
Modified:
branches/nmrglue/ (props changed)
branches/nmrglue/docs/latex/dispersion.tex
branches/nmrglue/user_functions/dx.py
Propchange: branches/nmrglue/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Sun Dec 7 14:00:08 2014
@@ -1 +1 @@
-/trunk:1-26989
+/trunk:1-26994
Modified: branches/nmrglue/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/nmrglue/docs/latex/dispersion.tex?rev=26995&r1=26994&r2=26995&view=diff
==============================================================================
--- branches/nmrglue/docs/latex/dispersion.tex (original)
+++ branches/nmrglue/docs/latex/dispersion.tex Sun Dec 7 14:00:08 2014
@@ -1960,9 +1960,9 @@
The grid search lower and upper bounds default to:
\begin{subequations}
\begin{gather}
- 1 \leqslant \Rtwozero \leqslant 40, \\
- 1 \leqslant \RtwozeroA \leqslant 40, \\
- 1 \leqslant \RtwozeroB \leqslant 40, \\
+ 5 \leqslant \Rtwozero \leqslant 20, \\
+ 5 \leqslant \RtwozeroA \leqslant 20, \\
+ 5 \leqslant \RtwozeroB \leqslant 20, \\
0 \leqslant \Phiex \leqslant 10, \\
0 \leqslant \PhiexB \leqslant 10, \\
0 \leqslant \PhiexC \leqslant 10, \\
@@ -1975,13 +1975,13 @@
0 \leqslant \dwHBC \leqslant 3, \\
0.5 \leqslant \pA \leqslant 1, \\
0.0 \leqslant \pB \leqslant 0.5, \\
- 0 \leqslant \kex \leqslant 1e^6, \\
- 0 \leqslant \kexAB \leqslant 1e^6, \\
- 0 \leqslant \kexBC \leqslant 1e^6, \\
- 0 \leqslant \kA \leqslant 1e^6, \\
- 0 \leqslant \kB \leqslant 1e^6, \\
- 0 \leqslant \kAB \leqslant 1e^6, \\
- 0 \leqslant \tex \leqslant 1e^{-6}.
+ 1 \leqslant \kex \leqslant 1e^4, \\
+ 1 \leqslant \kexAB \leqslant 1e^4, \\
+ 1 \leqslant \kexBC \leqslant 1e^4, \\
+ 1 \leqslant \kA \leqslant 1e^4, \\
+ 1 \leqslant \kB \leqslant 1e^4, \\
+ 0.1 \leqslant \kAB \leqslant 20, \\
+ 1e^{-4} \leqslant \tex \leqslant 1.
\end{gather}
\end{subequations}
@@ -2158,7 +2158,7 @@
0 \\
-2e^6 \\
0 \\
- -2e^6 \\
+ -100 \\
0 \\
\end{pmatrix}.
\end{equation}
@@ -2188,7 +2188,7 @@
0 \leqslant \kexBC \leqslant 2e^6, \\
0 \leqslant \kA \leqslant 2e^6, \\
0 \leqslant \kB \leqslant 2e^6, \\
- 0 \leqslant \kAB \leqslant 2e^6, \\
+ 0 \leqslant \kAB \leqslant 100, \\
\tex \geqslant 0.
\end{gather}
\end{subequations}
@@ -2206,7 +2206,7 @@
The concept of diagonal scaling is explained in Section~\ref{sect: diagonal
scaling} on page~\pageref{sect: diagonal scaling}.
-For the dispersion analysis the scaling factor of 10 is used for the
relaxation rates, 1e$^5$ for the exchange rates, 1e$^{-4}$ for exchange
times, and 1 for all other parameters.
+For the dispersion analysis the scaling factor of 10 is used for the
relaxation rates, 1e$^4$ for the exchange rates, 1e$^{-4}$ for exchange
times, and 1 for all other parameters.
The scaling matrix for the parameters \{$\Rtwozero$, $\RtwozeroA$,
$\RtwozeroB$, $\Phiex$, $\PhiexB$, $\PhiexC$, $\pA\dw^2$, $\dw$, $\dwH$,
$\pA$, $\pB$, $\kex$, $\kB$, $\kC$, $\kAB$, $\tex$\} is
\begin{equation}
\begin{pmatrix}
@@ -2221,10 +2221,10 @@
0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1 & 0 & 0 & 0 & 0 & 0 &
0 & 0 \\
0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1 & 0 & 0 & 0 & 0 &
0 & 0 \\
0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1 & 0 & 0 & 0 &
0 & 0 \\
- 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^5 & 0 & 0 &
0 & 0 \\
- 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^5 & 0 &
0 & 0 \\
- 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^5 &
0 & 0 \\
- 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 &
1e^5 & 0 \\
+ 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^4 & 0 & 0 &
0 & 0 \\
+ 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^4 & 0 &
0 & 0 \\
+ 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 1e^4 &
0 & 0 \\
+ 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 &
20 & 0 \\
0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 & 0 &
0 & 1e^{-4} \\
\end{pmatrix}.
\end{equation}
Modified: branches/nmrglue/user_functions/dx.py
URL:
http://svn.gna.org/viewcvs/relax/branches/nmrglue/user_functions/dx.py?rev=26995&r1=26994&r2=26995&view=diff
==============================================================================
--- branches/nmrglue/user_functions/dx.py (original)
+++ branches/nmrglue/user_functions/dx.py Sun Dec 7 14:00:08 2014
@@ -230,6 +230,6 @@
uf.backend = map
uf.menu_text = "&map"
uf.gui_icon = "relax.grid_search"
-uf.wizard_height_desc = 280
+uf.wizard_height_desc = 260
uf.wizard_size = (1000, 750)
uf.wizard_image = WIZARD_IMAGE_PATH + 'opendx.png'
r26995 - in /branches/nmrglue: ./ docs/latex/dispersion.tex user_functions/dx.py