mailr25426 - /trunk/specific_analyses/relax_disp/optimisation.py


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Posted by tlinnet on August 29, 2014 - 12:10:
Author: tlinnet
Date: Fri Aug 29 12:10:17 2014
New Revision: 25426

URL: http://svn.gna.org/viewcvs/relax?rev=25426&view=rev
Log:
Increased the number of time points for exponential curve fitting to 3.

Modified:
    trunk/specific_analyses/relax_disp/optimisation.py

Modified: trunk/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/optimisation.py?rev=25426&r1=25425&r2=25426&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/optimisation.py  (original)
+++ trunk/specific_analyses/relax_disp/optimisation.py  Fri Aug 29 12:10:17 
2014
@@ -381,11 +381,11 @@
                 times.append(time)
 
             # Raise errors if number of time points is less than 2.
-            if len(times) < 2:
+            if len(times) < 3:
                 subsection(file=sys.stdout, text="Exponential curve fitting 
error for point:", prespace=2)
                 point_info = "%s at %3.1f MHz, for offset=%3.3f ppm and 
dispersion point %-5.1f, with %i time points." % (exp_type, frq/1E6, offset, 
point, len(times))
                 print(point_info)
-                raise RelaxError("The data setup points to exponential curve 
fitting, but only %i time points was found.  If calculating R2eff values for 
fixed relaxation time period data, check that a reference intensity has been 
specified for each offset value."%(len(times)))
+                raise RelaxError("The data setup points to exponential curve 
fitting, but only %i time points was found, where 3 time points is minimum.  
If calculating R2eff values for fixed relaxation time period data, check that 
a reference intensity has been specified for each offset value."%(len(times)))
 
             # The scaling matrix in a diagonalised list form.
             scaling_list = []




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