Subject: Re: [nmr_sparky] some problems about relaxation
From: Mandar T. Naik
Date: Apr 19, 2006

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Hi Jlee,
Are you suggesting 10% difference in the rate or the associated error
estimate? I did try both programs and if I remember correctly, I got lower
error estimate in RH than Curvefit, but the rate constants were fairly
consistent. (RH gives time constant by the way.....).

Curvefit in default Monte Carlo mode requires intensity and error in intensity
as input. As you know Sparky RH output doesnt have intensity error, unless
you calculate it by other means or use other options of Sparky (lt), you must
force Curvefit to Jack-knife mode by -jack -noerror flags. Also please make
sure of the upper and lower bounds in the curvefit input.

Hope this helps
Best regards
-mandar

On Wednesday 19 April 2006 04:36 pm, jleeweir wrote:
hi to all!

Now Im working on 1H-15N relaxation data,and I found there is
difference between the value of RH and curvefit.The former is the
python of sparky, while curvefit is the script of modelfree.The
difference is about 10%. And the data processed in the curvefit is same
with that in RH.

I wonder if something is wrong during the process. Can someone help and
thanks a lot!

jlee

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