mailr8038 - /branches/spectral_errors/generic_fns/spectrum.py


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Posted by edward on November 27, 2008 - 14:06:
Author: bugman
Date: Thu Nov 27 14:06:48 2008
New Revision: 8038

URL: http://svn.gna.org/viewcvs/relax?rev=8038&view=rev
Log:
Fixes for the volume integration with no replicated spectra.


Modified:
    branches/spectral_errors/generic_fns/spectrum.py

Modified: branches/spectral_errors/generic_fns/spectrum.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/spectral_errors/generic_fns/spectrum.py?rev=8038&r1=8037&r2=8038&view=diff
==============================================================================
--- branches/spectral_errors/generic_fns/spectrum.py (original)
+++ branches/spectral_errors/generic_fns/spectrum.py Thu Nov 27 14:06:48 2008
@@ -26,6 +26,7 @@
 
 
 # Python module imports.
+from math import sqrt
 from re import split
 from warnings import warn
 import string
@@ -232,8 +233,12 @@
                 if not hasattr(spin, 'baseplane_rmsd'):
                     raise RelaxError, "The RMSD of the base plane noise for 
spin '%s' has not been set." % spin_id
 
-                # Set the error to the RMSD.
-                spin.intensity_err = spin.baseplane_rmsd
+                # Test that the total number of points have been set.
+                if not hasattr(spin, 'N'):
+                    raise RelaxError, "The total number of points used in 
the volume integration has not been specified for spin '%s'." % spin_id
+
+                # Set the error to the RMSD multiplied by the square root of 
the total number of points.
+                spin.intensity_err = spin.baseplane_rmsd * sqrt(spin.N)
 
 
 def intensity_generic(line, int_col):




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