Dear Ecino (sorry, I think I missed your name),
The questions you are asking would be much better asked on the
relax-users@xxxxxxx mailing list. If you respond to this email using
'reply-to-all', you will reach this list. The support request
tracker, like the bug and task trackers are not really designed for
discussions. The mailing lists are much more useful as you will reach
many more relax users who may have encountered your problems and have
a simple answer for you. But to answer your questions, a little bit
more information is required. Could you please answer the following
if possible?
1) Which program are you using to measure peak intensities?
2) For peak intensities, are you using heights or volumes?
3) How exactly are you getting your noise estimates? RMSD of the
entire spectrum? RMSD of a box over the peak? Or RMSD of the region
between peaks?
4) Are you using the same program for peak intensities and peak
errors? If not, this is fatal - absolute values change wildly between
different programs and spectrum formats. Hence why S/N ratios are
important.
5) You mentioned you have duplicates. Could you elaborate? Do you
have 10 spectra for the R1 experiment and 2 of these are in duplicate?
For the NOE, are these in duplicate or triplicate (note that single
spectra are all that are necessary)?
6) You said that spectrum.read_intensities() with NMRView worked in
the end, but this is impossible with relax-1.3.3. Have you checked
out a copy of the 1.3 repository line with this new code?
7) If you are using the 1.3 repository line code, have you carefully
read the documentation for all the 'spectrum' user functions? E.g:
relax> help(spectrum.baseplane_rmsd)
relax> help(spectrum.error_analysis)
relax> help(spectrum.integration_points)
relax> help(spectrum.read_intensities)
relax> help(spectrum.replicated)
8) Could you attach your relax script to your email? And maybe the
input and output data for a single spin system where you see a
difference between the matlab script and relax?
We should be able to work out what the issue is, but we just need a
little more information. I also hope that some of this helps.
Cheers,
Edward
On Fri, May 29, 2009 at 5:04 AM, anonymous
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #11, sr #2336 (project relax):
Hi Ryan. Thanks for the reply. It is a 600MHz spec. There are 2 duplicates
for T1 and T1rho data. T1rho is very similar to T2, and can be converted to
T2 easily. The replicates are fairly similar. If I look at the data using
intensities, and fit to 2 param exponential in matlab, 200 monte carlos,
the error is much smaller. I am unsure why there is a discrepancy using
relax. I am just using nmrview peaklists, and the relax sample script to
process the data.
_______________________________________________________
Reply to this item at:
<http://gna.org/support/?2336>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
Re: [sr #2336] xpk files