Hi Ruth,
I'm fairly sure this is just a difference in definitions of sigma_noe.
relax defines sigma_noe (the cross-relaxation rate) as:
(noe - 1.0) * r1 * self.data.gx / self.data.gh
see maths_fns/jw_mapping.py at about line 67. self.data.gx and
self.data.gh are the respective gyromagnetic ratios. So R1 is accounted
for appropriately.
This is the convention used eg. in Atkinson and Kieffer's review (Prog.
NMR Spec. 44, 141-187 (2004)), and the equations for J(0), J(wH) and
J(wN) (lines 92-98 in maths_fns/jw_mapping.py) are exactly equivalent to
their eq. 6
Chris
On Mon, 2006-07-03 at 13:40 +0100, Ruth Boetzel wrote:
Hi there!
I'm trying to use the spectral density mapping module and have a problem
with the equation for J(0).
In the program J(0) is given as
j0 = -1.5 / (3.0*d + c) * (0.5*r1 - r2 + 0.6*sigma_noe)
However, when I work out the equation from the literature (e.g. Farrow et
al., J. Biomol. NMR, 6, 1530162, 1995, equations 5,6,7) I get
j0 = -1.5 / (3.0*d + c) * (0.5*r1 - r2 + 0.6*sigma_noe*r1)
I can't see how it is possible to get rid of r1 in the sigma_noe term. A
colleague of mine also tried and got the same result as I did.
Am I missing something or is the r1 term missing?
Cheers
Ruth
********************************************
* Dr Ruth Boetzel *
* School of Chemical Sciences and Pharmacy *
* University of East Anglia *
* Norwich NR4 7TJ *
* UK *
* Phone: +44-1603-592001 *
* E-Mail: r.boetzel@xxxxxxxxx *
********************************************
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Re: Reduced spectral density mapping