Thanks, Troels,
That is useful. when I first looked at this folder, it was really
confusing for me.
I am creating my own scripts, it starts to run. If it works, I could
post it and maybe try with Kjaergaard dataset and continue your tutorial.
Best,
Peixiang
On 05/22/2014 05:44 PM, Troels Emtekær Linnet wrote:
Hi Peixiang.
I started the R1rho tutorial at the wiki, which I think you refer to:
http://wiki.nmr-relax.com/Tutorial_for_Relaxation_dispersion_analysis_r1rho_fixed_time_recorded_on_varian_as_sequential_spectra
But I did not have the time to finish it.
But, if you are a little adventurous, you can find the rest of the
script that will finish it.
We use something in relax called "system tests".
This is to make sure, that everything keeps on functioning as we change code.
Actually, that tutorial on the wiki is a translation of one of those
systemtests.
Try look in the relax software folder.
test_suite/shared_data/dispersion/Kjaergaard_et_al_2013
Have a look at
r1rho_1_ini.py
r1rho_3_spectra_settings.py
r1rho_4_run.py
Try have a look on these.
Do not look at the rx_XX.py file. That is scrap.
But please double check everything.
I is a little while ago :-)
Double check with the systemtest here:
test_suite/system_tests/relax_disp.py
Look for:
def test_r1rho_kjaergaard(self):
all "self.interpreter." should be deleted for the script. .-)
And remember to read in R1 data:
relax_data.read(ri_id='R1', ri_type='R1', frq=cdp.
See http://wiki.nmr-relax.com/DPL94#Essentials
----
If you find this helpful, you could maybe continue this R1rho tutorial
at the wiki?
I wrote the tutorial, because I know the learning curve is steep.
And it have helped our students in the lab since.
Best
Troels
Re: R1rho RD analysis