[Ifeffit] Problem with PCA tool in Athena

Ismael Graff graff at fisica.ufpr.br
Fri Oct 25 13:05:28 CDT 2013


Dear fellows,

I have an issue with the PCA tool of Athena (using 0.9.18 version of
Demeter, windows XP sp2).

When I try to target-transform a standard/model compound the program
simply ignores my choice of standard. The target transform is applied to
the first sample file that I have used to get the different components,
even having highlighted the standard compound of my choice. Also, there is
no output for the TT coefficients in the text box.

Is it a problem of my Demeter installation? Has anyone had the same issue?

All the best, Ismael.

-- 
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*           Ismael Graff           *
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* Universidade Federal do Paraná   *
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* 81531-980, Curitiba, Brazil.     *
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* http://fisica.ufpr.br/graff      *
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*      "DOCENDO DISCIMUS"          *
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