Subject: Re: [nmr_sparky] exponential decay
From: Tom Goddard
Date: Jun 2, 2010

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Hi Stefano,

A modification to the Sparky relax.py file (sparky/python/sparky/relax.py) could add the parameter C to the fitting. I think I did this once upon a time but I cant find any code for it. Youd modify the a_exp_bx_function class in the relax.py code. Maybe an hours work to figure out change and test if you are familiar with Python.

Tom


Hello,
when fitting T1 or T2 relaxation data one could use two equations:

a: A*exp(-t/B)

b: A*exp(-t/B) + C

In the first case one assumes that the maximum tau used in the set of experiments is sufficient to bring to zero the intensity of the signal, while in the second case one assumes that there may be a residual intensity. Following my logic, I would prefer the second case, because the spectrum with the largest tau still has non-zero signals. However, Sparky uses the first equation. Of course, the relaxation rates that are calculated in the two cases can be very different. What is the commen/preferred protocol?
Stefano