Hi,
delayT could vary depending with the magnetic field. It could even vary
among one magnetic field...
In fact, the same delayT must be used for at least a reference spectrum
and a spectrum with CPMG... From this, a R2eff is calculated. Normally,
users will use the same delayT for all the dispersion curve at one
field, since this will allow only one reference spectrum to be
recorded... The same delayT can be used at another field strength,
however a different one can be used also, for a better S/N or for
probing differently the dispersion profile...
Hence, I would think that delayT should be associated with one dataset,
in the same way as the frequency, when set using frq.set...
Does that sound logical ?
Regards,
Séb :)
Edward d'Auvergne wrote:
Seb,
Do we need to associate delayT with different spectra? Is it not the
same for all spectra from all field strengths?
Regards,
Edward
On Thu, Jan 8, 2009 at 5:48 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Thu Jan 8 17:48:13 2009
New Revision: 8339
URL: http://svn.gna.org/viewcvs/relax?rev=8339&view=rev
Log:
Added the user function cpmg_delayT() which allows setting the CPMG
constant time delay T used for
the analysed dataset.
This follows a post at:
https://mail.gna.org/public/relax-devel/2009-01/msg00027.html
(Message-id: <496583C7.6050607@xxxxxxxxx>)
Modified:
branches/relax_disp/prompt/relax_disp.py
branches/relax_disp/specific_fns/relax_disp.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
Modified: branches/relax_disp/prompt/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (original)
+++ branches/relax_disp/prompt/relax_disp.py Thu Jan 8 17:48:13 2009
@@ -45,6 +45,42 @@
# Place relax in the class namespace.
self.__relax__ = relax
+
+
+ def cpmg_delayT(self, id=None, delayT=None):
+ """Set the CPMG constant time delay (T) of the experiment.
+
+ Keyword arguments
+ ~~~~~~~~~~~~~~~~~
+
+ id: The experiment identification string.
+
+ delayT: The CPMG constant time delay (T) in s.
+
+
+ Description
+ ~~~~~~~~~~~
+
+ This user function allows the CPMG constant time delay (T) of a
given experiment to be set.
+ """
+
+ # Function intro text.
+ if self.__relax__.interpreter.intro:
+ text = sys.ps3 + "delayT("
+ text = text + "id=" + `id`
+ text = text + ", delayT=" + `delayT` + ")"
+ print text
+
+ # Id string.
+ if type(id) != str:
+ raise RelaxStrError, ('experiment identification string',
id)
+
+ # The CPMG constant time delay (T).
+ if type(delayT) != float and type(delayT) != int:
+ raise RelaxNumError, ('CPMG constant time delay (T)',
delayT)
+
+ # Execute the functional code.
+ specific_fns.relax_disp.cpmg_delayT(id=id, delayT=delayT)
def exp_type(self, exp='cpmg'):
Modified: branches/relax_disp/specific_fns/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan 8 17:48:13
2009
@@ -205,6 +205,41 @@
# Add the frequency at the correct position.
cdp.cpmg_frqs[index] = frq
+
+
+ def cpmg_delayT(id=None, delayT=None):
+ """Set the CPMG constant time delay (T) of the experiment.
+
+ @keyword id: The experimental identification string
(allowing for multiple experiments
+ per data pipe).
+ @type id: str
+ @keyword delayT: The CPMG constant time delay (T) in s.
+ @type delayT: float
+ """
+
+ # Function intro text.
+ if self.__relax__.interpreter.intro:
+ text = sys.ps3 + "delayT("
+ text = text + "id=" + `id`
+ text = text + ", delayT=" + `delayT` + ")"
+ print text
+
+ # Test if the current data pipe exists.
+ pipes.test()
+
+ # Alias the current data pipe.
+ cdp = pipes.get_pipe()
+
+ # Set up the dictionnary data structure if it doesn't exist yet.
+ if not hasattr(cdp, 'delayT'):
+ cdp.delayT = {}
+
+ # Test the CPMG constant time delay (T) has not already been
set.
+ if cdp.delayT.has_key(id):
+ raise RelaxError, "The CPMG constant time delay (T) for the
experiment " + `id` + " has already been set."
+
+ # Set the CPMG constant time delay (T).
+ cdp.delayT[id] = delayT
def create_mc_data(self, spin_id):
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8339&r1=8338&r2=8339&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
Thu Jan 8 17:48:13 2009
@@ -22,6 +22,9 @@
# Relaxation dispersion magnetic field (in Hz).
frq.set(id='600', frq=600.0 * 1e6)
+
+# Relaxation dispersion CPMG constant time delay T (in s).
+cpmg_delayT(id='600', delayT=0.020)
# Relaxation dispersion CPMG frequencies (in Hz).
cpmg_frq = [
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Re: r8339 - in /branches/relax_disp: prompt/ specific_fns/ test_suite/system_tests/scripts/