NMRPipe: propagating resonance positions to multiple spectra
 

NMRPipe: propagating resonance positions to multiple spectra

Hello,

Is it possible in NMRPipe to:

1. Generate a peak table for a new spectrum using the resonance positions in an existing peak table?
2. Update the peak intensities in the existing peak table from the current spectrum?

I have a set of relaxation data, and currently to obtain peak heights at different delays I have to manually define the peaks in all HSQCs, which is rather time consuming. Furthermore, if I decide to re-process the spectra, the previously generated peak tables are useless, as the peak heights are read from the peak table file, rather than from the current spectrum.

Ideally, what I am looking for is:

1. Generate an assigned peak table for the first spectrum.
2. Load i-th spectrum, use the assigned peak table to define the resonances in the i-th spectrum.
3. Read the intensities at given resonance positions in the i-th spectrum and write them to the new peak table.

Thank you,

Vitaly



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