Hi,
I would maybe include a third paragraph saying that this is an
experimental unpublished feature of the dispersion analysis. And that
if R20 << min(R2eff), then the grid search will be performed in a
region of the optimisation space quite distant from the true minimum.
So if this is the case, then this feature should not be used. This is
essentially to cover ourselves if a relax user tries this option but
it causes their analysis to fail - because their analysis is different
or performed in a non-standard way that we cannot foresee. We can
then say that we said to use this at your own risk. The word
"unpublished" is quite important for this.
Regards,
Edward
On 29 April 2014 15:03, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue Apr 29 15:03:58 2014
New Revision: 22872
URL: http://svn.gna.org/viewcvs/relax?rev=22872&view=rev
Log:
Better formattting of text in user function.
Feature request: #3151, (https://gna.org/support/index.php?3151) - User
function to set the R20 parameters in the default grid search using the
minimum R2eff value.
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=22872&r1=22871&r2=22872&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Tue Apr 29 15:03:58 2014
@@ -910,18 +910,19 @@
# The relax_disp.set_grid_r20_from_min_r2eff user function.
uf = uf_info.add_uf('relax_disp.set_grid_r20_from_min_r2eff')
-uf.title = "Set the initial guess for R20 in the grid search, to that of
the minimum R2eff points."
-uf.title_short = "Speed-up grid search."
+uf.title = "Set the R20 parameter values to that of the minimum R2eff
value."
+uf.title_short = "Set R20 from the minimum R2eff."
uf.add_keyarg(
name = "force",
default = True,
py_type = "bool",
desc_short = "force flag",
- desc = "A flag which if set to True will cause the R20 Values to be
overwritten if they already exist."
-)
-# Description.
-uf.desc.append(Desc_container())
-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 a 2 field cpmg experiment with model CR72, that would drop the
number of uniform grid search points from gridNr^5 to gridNr^3. For
standard 21 grid Nr, it would make the grid search 441 times faster.")
+ desc = "A flag which if set to True will cause the R20 values to be
overwritten if they already exist."
+)
+# 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.backend = set_grid_r20_from_min_r2eff
uf.menu_text = "&set_grid_r20_from_min_r2eff"
uf.gui_icon = "relax.grid_search"
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Re: r22872 - /trunk/user_functions/relax_disp.py