[Ifeffit] Purple & Red E Derivatives
Matthew Marcus
mamarcus at lbl.gov
Tue Feb 22 17:19:16 CST 2011
> The numerical derivative
> is computed as the numerical differential of the mu(E) spectrum
> divided by the numerical differential of the energy array. Smoothing
> happens as explained above. Justw atch the lines that get printed to
> the buffer when you click the plot buttons. - B. Ravel
I wonder if that's the right way to go for data that, for instance, might have gaps or changes in step size. What I do in my code
is run a cubic spline through the data, with the abscissa as is,
then take the derivative of that spline. Thus, if the data is smooth enough to be locally approximated by a cubic, the derivative
will come out smooth regardless of how it's tabulated. I'm not
sure that's the case with Bruce's algorithm. Is the 'numerical differential' the difference E(i+1)-E(i) or (1/2)*(E(i+1)-E(i-1)) or
some form that's intended to approximate dE(i)/di (i= point index)?
It's not clear to me whether it's any more correct to do smoothing before or after differentiating. You can take the red pill or
the blue pill :-)
mam
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