mailThe "eta_scale" in CR72.


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Posted by Troels Emtekær Linnet on May 03, 2014 - 12:29:
Dear Edward.

I was inspecting the code of model CR72.

http://svn.gna.org/viewcvs/*checkout*/relax/trunk/lib/dispersion/cr72.py?revision=HEAD

This is calculated as:

eta_scale = 2.0**(-3.0/2.0) = 0.35
which is: 1 / sqrt(2**3).

This differs from the definition in:
http://wiki.nmr-relax.com/CR72_full#Equation
http://www.nmr-relax.com/manual/full_CR72_2_site_CPMG_model.html
http://www.nmr-relax.com/api/3.1/lib.dispersion.cr72-module.html

where:
eta_scale = 2.0**(2/3) = 1.58
which is {3}sqrt(2**2).

If I compare to:
http://wiki.nmr-relax.com/B14#Equation_compared_to_Carver_Richards_72
(DOI: 10.1016/j.jmr.2014.02.023 , eq 70,)

And to, (DOI: 10.1016/S0076-6879(01)39315-1 , eq 25, with the twist
that "tcp_Pa is the delay between 180 pulses in the CPMG pulse train",
 "delay/180/delay/delay/180/delay " so that tcp_Pa = 2xdelay

Then really the manual should use:
eta_scale = 2.0**(-3/2)
or
1 / 2 sqrt(2)



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