Hi, Ok, I made the assumption that deltadof2 was not the spin-lock offset (in ppm) but rather the spin-lock field strength (in Hz). The ppm values as printed out from the r1rho_1_ini.py script are far too low for 15N. They should be in the range of 100-120 ppm! I.e. around the 15N chemical shifts. They can be much higher and much lower for off-resonance data, but having many at an offset of 0.0 ppm seems a little strange.
Regards, Edward On 22 October 2013 13:18, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > Thanks for looking at this. > > The offset for N15 spinlock is given in Hz as parameter deltadof2 > for our pulse sequence. > > So I guess that this conversions should be appropriate: > omega_rf_ppm = float(deltadof2) / (set_sfrq * 1E6) * 1E6 > > where set_sfrq=799.7773991 is the spectrometer frequency. > > Best > Troels > > > 2013/10/22 Edward d'Auvergne <[email protected]> >> >> Hi, >> >> In the relax prompt, have a look at: >> >> relax> help(relax_disp.spin_lock_offset) >> >> The unit you need is ppm. You can find this number directly from the >> Bruker acqus or Varian procpar files. It is the ppm offset of the >> spin-lock pulse which is manually set by the person recording for each >> spectrum. You may need to go to the original pulse sequence to know >> which pulse this is. It will be a fixed value for each spectrum >> collected and you can use that value directly. The calculations in >> your scripts seem far to complicated and it looks like the internal >> conversions performed within relax. You should never need >> gyromagnetic ratios, factors of pi, etc. If you do, you should >> probably go back to the original experiments and pull out the correct >> offset number in ppm for each spectrum. I hope this helps. >> >> Regards, >> >> Edward >> >> >> >> >> On 22 October 2013 10:46, Troels Emtekær Linnet <[email protected]> >> wrote: >> > Hi Edward. >> > >> > I wonder if would have time to look at the settings script in: >> > test_suite/shared_data/dispersion/Kjaergaard_et_al_2013 >> > >> > It is the scripts: >> > r1rho_1_ini.py >> > r1rho_3_spectra_settings.py >> > >> > In r1rho, I am unsure if I do the correct conversion from Hz to ppm for >> > omega_rf. >> > >> > Again, if there is hidden radian units? >> > >> > It is when I set: >> > relax_disp.spin_lock_offset >> > >> > And I wonder, how to start modifying, so R1 rates can be read per >> > spectra? >> > >> > Best >> > Troels >> > >> > >> > >> > >> > >> > _______________________________________________ >> > relax (http://www.nmr-relax.com) >> > >> > This is the relax-devel mailing list >> > [email protected] >> > >> > 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 >> > > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] 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
