[Ifeffit] residual in non-equally spaced data

Francesco Giannici zenarcade at libero.it
Sun May 21 10:39:14 CDT 2006

Hope it'n not a known bug. Anyway, I have to report a strange behavior in Artemis 0.8.006 & Ifeffit 1.2.8 (everything updated today).

I have extracted a chi(k) with EDA, which returns non-equally spaced data (equally-spaced in energy, I think), but the fix_chik macro in Artemis fixes everything (or so it seems) interpolating the data over an equally-spaced grid.

Next, when I try to plot the residual functions, both in k and R-space, very weird things appear. Anyway, as expected, if I do myself the interpolation and I use the clean data, everything is ok.

Francesco Giannici
Dept. of Inorganic Chemistry
University of Palermo
giannici at pa dot ismn dot cnr dot it

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