Python frequency_to_ppm Examples

Example #1

File: ns_r1rho_3site.py Project: belisario21/relax_trunk

        new_id = "%s_%.3i" % (id, offset)

        # Set the NMR field strength.
        spectrometer.frequency(id=new_id, frq=H_frq)

        # Set the relaxation dispersion experiment type.
        relax_disp.exp_type(spectrum_id=new_id, exp_type='R1rho')

        # Relaxation dispersion constant time delay T (in s).
        relax_disp.relax_time(spectrum_id=new_id, time=relax_time)

        # Set the spin-lock field strength.
        relax_disp.spin_lock_field(spectrum_id=new_id, field=field)

        # Set the offset.
        relax_disp.spin_lock_offset(spectrum_id=new_id, offset=-frequency_to_ppm(frq=offset, B0=H_frq, isotope='15N'))

    # Read the R2eff data.
    relax_disp.r2eff_read_spin(id=id, file=file, dir=DATA_PATH, spin_id=':1', offset_col=6, data_col=10, error_col=9)

# Load the R1 data.
relax_data.read(ri_id='600MHz', ri_type='R1', frq=600e6, file='R1_600MHz.out', dir=DATA_PATH, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
relax_data.read(ri_id='800MHz', ri_type='R1', frq=800e6, file='R1_800MHz.out', dir=DATA_PATH, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)

# Change the model.
relax_disp.select_model('NS R1rho 3-site')

# The R20 keys.
r20_600_key = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=600e6)
r20_800_key = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=800e6)

Example #2

        # Set the NMR field strength.
        spectrometer.frequency(id=new_id, frq=H_frq)

        # Set the relaxation dispersion experiment type.
        relax_disp.exp_type(spectrum_id=new_id, exp_type=EXP_TYPE_R1RHO)

        # Relaxation dispersion CPMG constant time delay T (in s).
        relax_disp.relax_time(spectrum_id=new_id, time=relax_time)

        # Set the relaxation dispersion spin-lock field strength (nu1).
        relax_disp.spin_lock_field(spectrum_id=new_id, field=field)

        # Set the spin-lock offset, converting back to ppm.
        relax_disp.spin_lock_offset(
            spectrum_id=new_id,
            offset=-frequency_to_ppm(frq=offset, B0=H_frq, isotope='15N'))

    # Read the R2eff data.
    relax_disp.r2eff_read_spin(id=id,
                               file=file,
                               dir='..',
                               spin_id=spin_id,
                               offset_col=1,
                               data_col=2,
                               error_col=3)

# Load the R1 data.
relax_data.read(ri_id='600MHz',
                ri_type='R1',
                frq=600e6,
                file='R1_600MHz.out',