On 11/7/06, Chris MacRaild <[EMAIL PROTECTED]> wrote:
Something of a side issue, I know, but this appears to be the optimisation of a 3-parameter model to 3 data points. Hence the chi2 value of 0.
If you only have relaxation data at a single field strength, optimisation of models m4 and m5 should be allowed as it is almost standard. For example see http://www.nmr-relax.com/refs.html#Mandel95. Equal parameters to data points, although not ideal, is ok in mathematical modelling. The problem is if there are more parameters than data points, then the resultant optimised values are meaningless.
I thought we had coded residue selection to deselect residues in this case. Any idea why it is apparently not happening here?
Not in this situation. Chris, the 'overfit_deselect()' function that you coded deselects spins if there are only one or two data points in total.
In any case, a quick workaround for the problem is to simply not optimise models with more parameters than you have data points (even if relax did ever give you results for these models, the results would be meaningless).
Your 'overfit_deselect()' will already deselect the spin if this occurs. Cheers, Edward _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
