NOE script mode - setting the errors

In this example the errors where measured from the base plain noise. The Sparky RMSD function was used to estimate the maximal noise levels across the spectrum in regions containing no peaks. For the reference spectrum the RMSD was approximately 3600 whereas in the saturated spectrum the RMSD was 3000. These errors are set by the commands

# Set the errors.
spectrum.baseplane_rmsd(error=3600, spectrum_id='ref_ave')
spectrum.baseplane_rmsd(error=3000, spectrum_id='sat_ave')

For the residue G114, the noise levels are significantly increased compared to the rest of the protein as the peak is located close to the water signal. The higher errors for this residue are specified by the commands

# Individual residue errors.
spectrum.baseplane_rmsd(error=122000, spectrum_type='ref', res_num=114)
spectrum.baseplane_rmsd(error=8500, spectrum_type='sat', res_num=114)

There are many other ways of setting the errors, for example via spectrum duplication, triplication, etc. See the documentation for the spectrum.error_analysis user function on page [*] for all possible options. This user function needs to be executed at this stage to correctly set up the errors for all spin systems:

# Peak intensity error analysis.

The relax user manual (PDF), created 2024-06-08.