Hi again,
It seems that the tutorial you linked only applies for supporting data from
new experiments to dispersion analysis and not for model-free analysis? Is
adding experiments for model-free analysis done in a similar fashion?
As for your listed requirements, I have experimental data and I can rather
easily generate synthetic data. The eta_xy equation is number (2) in:
Longitudinal and Transverse 1H−15N Dipolar/15N Chemical Shift Anisotropy
Relaxation Interference: Unambiguous Determination of Rotational Diffusion
Tensors and Chemical Exchange Effects in Biological Macromolecules
Christopher D. Kroenke,†, J. Patrick Loria,†, Larry K. Lee,†, Mark Rance,*,‡
and, and Arthur G. Palmer, III*,†
Journal of the American Chemical Society 1998 120 (31), 7905-7915
DOI: 10.1021/ja980832l
With regards,
Sven Wernersson
On 6 Apr 2017, at 11:10, Troels Emtekær Linnet
<tlinnet@xxxxxxxxxxxxx<mailto:tlinnet@xxxxxxxxxxxxx>> wrote:
Hi Sven Wernesson.
Try read the wiki for guidelines to implement a new model
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax
To implement this feature, you need:
* Equations for calculations (The target function)
* Data to test on, and a "true" result (To verify the target function is
functioning)
* Which parameters should be fit (those to the target function)
Best
Troels Schwarz-Linnet
2017-04-04 18:08 GMT+02:00 Sven Wernersson
<sven.wernersson@xxxxxxxxx<mailto:sven.wernersson@xxxxxxxxx>>:
Hi,
I have eta_xy data (the transverse cross-correlation relaxation rate
constant) which I would like to include in my Model-free analysis. I don’t
know much python, so would it be possible for any of you to help me implement
support for this data type?
If you do not have the time to directly implement support, I would also
appreciate guidelines or similar help in how I could do it on my own. I am
fairly experienced in using Matlab, so I might eventually be able to do it.
Grateful for any help,
Sven Wernersson
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Re: Feature request: Model-free fitting with eta_xy data