Author: bugman
Date: Wed Jun 4 16:56:17 2014
New Revision: 23637
URL: http://svn.gna.org/viewcvs/relax?rev=23637&view=rev
Log:
Expanded and improved the docstring for the relax_disp.r20_from_min_r2eff
user function.
This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/5957.
The documentation now covers a number of the uses for this user function.
The text has also been
lightly edited. To fit all the text into the GUI user function window, the
size of the dialog and
the text high settings have been changed.
Modified:
trunk/user_functions/relax_disp.py
Modified: trunk/user_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/relax_disp.py?rev=23637&r1=23636&r2=23637&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Wed Jun 4 16:56:17 2014
@@ -936,13 +936,14 @@
)
# Description.
uf.desc.append(Desc_container())
-uf.desc[-1].add_paragraph("Set the R20 parameter values to that of the
minimum R2eff value. This user function will look through all R2eff values
per magnetic field strength, and find the minimum. This minimum is a very
good guess for the minimisation.")
-uf.desc[-1].add_paragraph("Instead of making the grid search find initial
values of the R20 parameter, the minimum for the R2eff points are used
instead. For example for a two field CPMG experiment with model CR72, that
would drop the number of uniform grid search points from 5D to 3D. For
standard 21 grid increments per dimension, it would make the grid search 441
times faster.")
-uf.desc[-1].add_paragraph("This is an experimental unpublished feature of
the dispersion analysis. If R20 << min(R2eff), the grid search will be
performed in a region of the optimisation space quite distant from the true
minimum. If unsure, do not activate this option, and let the grid search
find a better starting value.")
+uf.desc[-1].add_paragraph("Set the R20 parameter values to that of the
minimum R2eff value. This user function will look through all R2eff values
per magnetic field strength, find the minimum value, and set the R20, R20A,
R20B, and R1rho' parameters of the model to this value. This can serve a
number of purposes including using the values for the chi-squared space
mapping via the dx.map user function, speeding up optimisation by avoiding
the grid search for these parameters, and as initial parameter values for
other dispersion software.")
+uf.desc[-1].add_paragraph("Instead of finding the initial values for the R20
parameter using the grid search, the minimum for the R2eff points can be used
instead. This is often a good initial position for minimisation. For
example for a two field CPMG experiment with model CR72, that would drop the
number of uniform grid search points from 5D to 3D, i.e. two orders of
magnitude faster. When using the standard 21 grid increments per dimension,
it would allow the grid search to be 441 times faster. Note that the
relaxation dispersion auto-analysis will take all pre-set parameter values
into account and will automatically exclude these from the grid search.")
+uf.desc[-1].add_paragraph("Note that for optimisation, that this is an
experimental and unpublished feature of the dispersion analysis. If R20 <<
min(R2eff), the grid search will be performed in a region of the optimisation
space quite distant from the true minimum. If unsure, do not activate this
option, and let the grid search find a better starting value.")
uf.backend = r20_from_min_r2eff
uf.menu_text = "&r20_from_min_r2eff"
uf.gui_icon = "relax.grid_search"
-uf.wizard_size = (800, 500)
+uf.wizard_height_desc = 500
+uf.wizard_size = (900, 600)
uf.wizard_apply_button = False
r23637 - /trunk/user_functions/relax_disp.py