Tim et al.
Following on from my relaxation setup, I was wondering how to go
about either reintegrating/fitting peaks or doing some sort of directed
peak fitting.
In ANSIG I would have copied assigned peaks from spectrum to
spectrum throughout the T2/T2/NOE series and reintegrate at the same
position. I guess in analysis, my approach should be more sophisticated -
certainly looking at your hetNOE popup, you have accomodated independent
pickings of the sat & ref spectra.
So I would like to be able to either
1/ refit/integrate a peak list copied from one spectrum to another, maybe
allowing peak centres to move within a tolerance, or
2/ direct peak picking in a spectrum based on a peak list from another
spectrum.
Could you let me know which fits best with analysis's philosophy and give
me a nudge in the direction of what nuts and bolts I should build with to
make such a function? For 1/ above I think I should be trying something
with peakIntensity & friends from PeakBasic.py which I presume calls
get_intensity_peak in the C code eventually?
The method has to be able to cope with evaluating a peak that may be in
the noise, and so unfittable by the more sophisticated methods.
Brian
--
Dr. Brian O. Smith ---------------------- B.Smith at bio.gla.ac.uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459 Fax: 0141 330 8640
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