Author: tlinnet
Date: Tue Oct 22 13:09:22 2013
New Revision: 21210
URL: http://svn.gna.org/viewcvs/relax?rev=21210&view=rev
Log:
Modified settings script for R1rho test dataset.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/omega_rf_ppm.txt
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt?rev=21210&r1=21209&r2=21210&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt
Tue Oct 22 13:09:22 2013
@@ -172,6 +172,6 @@
cd ..
end
-# The calibration values is found from:
Original_data/NCBD_31C_WT_0Murea_t1rho/expList.txt
-power_to_offset_Hz = {'35': 321.1, '39': 509, '41': 640.8, '43': 806.7,
'46': 1139.6, '48': 1434.7}
+# The calibration values is found from:
Original_data/NCBD_31C_WT_0Murea_t1rho/decayFiles/expList.txt
+spin_lock_field_strengths_Hz = {'35': 431.0, '39': 651.2, '41': 800.5, '43':
984.0, '46': 1341.11, '48': 1648.5}
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/omega_rf_ppm.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/omega_rf_ppm.txt?rev=21210&r1=21209&r2=21210&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/omega_rf_ppm.txt
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/omega_rf_ppm.txt
Tue Oct 22 13:09:22 2013
@@ -27,42 +27,42 @@
0.0
0.0
0.0
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Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py?rev=21210&r1=21209&r2=21210&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
Tue Oct 22 13:09:22 2013
@@ -5,12 +5,8 @@
# The lock power to field, has been found in an calibration experiment.
# lock_powers = [35.0, 39.0, 41.0, 43.0, 46.0, 48.0]
-spin_lock_field_strengths_Hz = {'35': 321.1, '39': 509., '41': 640.8, '43':
806.7, '46': 1139.6, '48': 1434.7}
+spin_lock_field_strengths_Hz = {'35': 431.0, '39': 651.2, '41': 800.5, '43':
984.0, '46': 1341.11, '48': 1648.5}
ncycs = [0, 4, 10, 14, 20, 40]
-
-# dw(ppm) = dw(rad.s^-1) * 10^6 * 1/(2*pi) *
(gyro1H/(gyro15N*spectrometer_freq)) = 2.45E3 * 1E6 / (2 * math.pi) *
(26.7522212E7/(-2.7126E7 * 599.8908622E6)) = -6.41 ppm.
-gyro1H = 26.7522212E7
-gyro15N = 2.7126E7
# Load the experiments settings file.
expfile = open('exp_parameters_sort.txt','r')
@@ -37,7 +33,6 @@
ss = int(line.split()[6])
set_sfrq = float(line.split()[7])
spin_lock_field_strength = spin_lock_field_strengths_Hz[dpwr2slock]
- #offset_ppm =
# Calculate spin_lock time
time_sl = 2*ncyc*trim
@@ -63,12 +58,12 @@
# Set The spin-lock field strength, nu1, in Hz
relax_disp.spin_lock_field(spectrum_id=sp_id,
field=spin_lock_field_strength)
- omega_rf_ppm_direct = float(deltadof2) * 1E6 * 1/(2 * math.pi) * (1
/ ( set_sfrq*1E6 ) )
- omega_rf_ppm_indirect = float(deltadof2) * 1E6 * 1/(2 * math.pi) *
(gyro1H / (gyro15N * set_sfrq*1E6 ) )
- writefile.write("%s %s \n"%(omega_rf_ppm_direct,
omega_rf_ppm_indirect))
+ # Conversion to ppm from Hz.
+ omega_rf_ppm = float(deltadof2) / (set_sfrq * 1E6) * 1E6
+ writefile.write("%s \n"%(omega_rf_ppm))
# Set The spin-lock offset, omega_rf, in ppm.
- relax_disp.spin_lock_offset(spectrum_id=sp_id,
offset=omega_rf_ppm_indirect)
+ relax_disp.spin_lock_offset(spectrum_id=sp_id, offset=omega_rf_ppm)
# Set the relaxation times.
relax_fit.relax_time(time=time_sl, spectrum_id=sp_id)
@@ -76,5 +71,4 @@
# Set the spectrometer frequency.
spectrometer.frequency(id=sp_id, frq=set_sfrq, units='MHz')
-
writefile.close()
r21210 - /branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/