Hi,
Negative intensities are actually extremely common, especially for
those experiencing fast relaxation. In the time course, exponential
can often go below the noise level. At that point you have a white
noise distribution about zero, so you have equal change of positive
and negative values. This is no problem at all and such data should
not be deselected. These noise points at the end also significantly
help with the fitting by indicating to the optimisation algorithm that
the curve should not be significant at these points.
Regards,
Edward
On 29 August 2014 15:22, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
Hi Edward.
Is all intensities always positive?
Some of our students tried, with a peak list which contained negative
intensities.
Could spins with negative intensities be automatically de-selected?
Or is intensities sometimes negative?
best
---------- Forwarded message ----------
From: <edward@xxxxxxxxxxxxx>
Date: 2014-08-29 14:57 GMT+02:00
Subject: r25432 - /trunk/specific_analyses/relax_disp/data.py
To: relax-commits@xxxxxxx
Author: bugman
Date: Fri Aug 29 14:57:38 2014
New Revision: 25432
URL: http://svn.gna.org/viewcvs/relax?rev=25432&view=rev
Log:
Better error checking for the
specific_analyses.relax_disp.average_intensity() function.
This function would fail with a traceback if a peak intensity error
analysis had not yet been
performed. Now it fails instead with a clean RelaxError so that the
user knows what is wrong.
Modified:
trunk/specific_analyses/relax_disp/data.py
Modified: trunk/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/data.py?rev=25432&r1=25431&r2=25432&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/data.py (original)
+++ trunk/specific_analyses/relax_disp/data.py Fri Aug 29 14:57:38 2014
@@ -149,7 +149,7 @@
# Error intensity data.
if error:
# Error checking.
- if not int_keys[i] in spin.peak_intensity_err:
+ if not hasattr(spin, 'peak_intensity_err') or not
int_keys[i] in spin.peak_intensity_err:
raise RelaxError("The peak intensity errors are
missing the key '%s'." % int_keys[i])
# Sum.
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Re: r25432 - /trunk/specific_analyses/relax_disp/data.py