Read multiple R1 rate files for different offsets frequencies. -- October 22, 2013 - 20:40

Hi Edward.

At the moment, the reading of R1 rate files are associated on the spectrometer frequency level.

As can be seen in:

sample_scripts/relax_disp/R1rho_analysis.py

-----------------

# Load the R1 data.

relax_data.read(ri_id='500MHz', ri_type='R1', frq=500e6, file='R1_500MHz.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)

------------------

I have created several R1 rate files in:

test_suite/shared_data/dispersion/Kjaergaard_et_al_2013

If one do:

--------------

ls -v -d -1 rx/*/rx.out > rxfiles.txt

set RXS=`cat rxfiles.txt`

set CWD=`pwd`

echo $CWD

foreach I (`seq 1 ${#RXS}`)

set RX=${RXS[$I]}; set DIRN=`dirname $RX`

cd $DIRN

set LINE=`grep "28         Q" rx.out`

echo "$DIRN $LINE"

cd $CWD

end

----------------

I get:

rx/0_35 None 28 Q 20 N 11.8294310864515 0.0977051738570798

rx/0_39 None 28 Q 20 N 12.1872073441636 0.194000815320065

rx/0_41 None 28 Q 20 N 11.9893516334575 0.163599788621843

rx/0_43 None 28 Q 20 N 11.8263428708274 0.123690768122611

rx/0_46 None 28 Q 20 N 11.9323504806714 0.0444745428316398

rx/0_48 None 28 Q 20 N 11.8632811958325 0.114755798629533

rx/500_46 None 28 Q 20 N 11.0724074058591 0.1538326259565

rx/1000_41 None 28 Q 20 N 6.33513730898357 0.0336559336993769

rx/1000_46 None 28 Q 20 N 8.77127968755774 0.0641417105624404

rx/1000_48 None 28 Q 20 N 9.70375281785425 0.0172589388319522

rx/2000_41 None 28 Q 20 N 3.108869297874 0.0496833972732356

rx/2000_46 None 28 Q 20 N 4.9044902550994 0.0439321013896472

rx/5000_46 None 28 Q 20 N 2.25502543028924 0.0194300877425236

rx/10000_46 None 28 Q 20 N 1.93165081138783 0.00987269881003522

This shows that the R1 rate is quite different for offsets frequencies.

How should this problem be handled?

Should the reading of R1 rate be done per spectrum, matched to the spectrometer frequency and spin-lock offset, and then the values are averaged for those spectra having the same spectrometer frequency and spin-lock offset?

Best

Troels Emtekær Linnet