[SciPy-user] non linear optimisation

william ratcliff william.ratcliff@gmail....
Mon Jun 11 22:00:06 CDT 2007


lorentz.sourceforge.net/

:>

I'll have to try this :>

On 6/11/07, Christian K <ckkart@hoc.net> wrote:
>
> Ramon Crehuet wrote:
> > Dear all,
> >     I have a problem of non-linear optimisation (see below for a
> > experimental description). I have many experimental curves (x,y) and
> > want to fit the points to a non-linear function y=f(x; a,b,c...), where
> > a,b,c... are the parameters. I know how to do that. But the tricky thing
> > is that some parameters should be the same for all the curves, and some
> > are different for each curve, and I don't know if there is any module
> > that can help me in doing this non-linear fit of *all* the curves at the
> > same time.
> >     For the experimental scientists, I will say that these curves
> > correspond to absorption spectra for the same compound in different
> > solvents. The model curve f(x; a,b,c...) has some parameters that depend
> > on the solvent and others that depend only on the compound, and thus,
> > should be the same for all the spectra.
>
> Isn't it sufficient to determine the parameters corresponding to the
> absorption
> peak that is apparent in all spectra once and then hold those parameters
> fixed
> when ftting the other ones? Generally I would reccomend peak-o-mat
> (http://lorentz/sf/net) for peak fitting.  It allows to define parameters
> as
> fixed though it cannot fit many spectra at once like you want to do.
>
> Christian
>
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