Hi, Reduced spectral density mapping is a direct calculation of the spectral density values, there is no optimisation. The only part where optimisation could be used, but is not necessary, is in the calculation of the single J(0) value using data at multiple field strengths. See Kroenke et al., 1999 for details (Kroenke, C. D., Rance, M. and Palmer, A. G. (1999). Variability of the 15N chemical shift anisotropy in Escherichia coli ribonuclease H in solution. J. Am. Chem. Soc. 121, 10119–10125). relax can't do this yet though (although anyone is free to add that feature).
Edward On 12/2/06, Sebastien Morin <[EMAIL PROTECTED]> wrote:
Hi Edward Thanks for your help. I have another question about reduced spectral density mapping. With the script jw_mapping.py, one has to select the frequency (jw_mapping.set_frq()). I would like to know if it is possible to select datasets at multiple fields and then optimize everything together... Would this lead to better values as is the case with the model-free approach ? I tried by simply putting three fields : =============================================================== jw_mapping.set_frq(name, frq=499.719 * 1e6, frq=599.739 * 1e6, frq=799.744 * 1e6) =============================================================== but as I thought, ended up with an error : =============================================================== SyntaxError: duplicate keyword argument =============================================================== Of course... Thanks for help ! Séb :)
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