Hi Troels,
I have a feeling you are mixing up the R1rho' and R1 values. Maybe have a
look at the R1rho equations in the manual to see this better. Specifically
the DPL94 model. I looked in the data you committed to the repository but
I thought that the real R1 data was missing. R1 data is never offset
dependent! When I looked at you peak lists, I automatically assumed that
all of that data was R1rho'. I could not distinguish R1 data, which is
collected in a separate, unrelated experiment. Are you sure you have
committed that data?
Regards,
Edward
On Tuesday, 22 October 2013, Troels Emtekær Linnet wrote:
> 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
>
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