Since R_eff is constant, surely all you need to do is multiply R_eff by the uncertainty in alpha? That will be the uncertainty in delta_R and R_fit.
The program is only giving you statistically-derived uncertainty for the values it fits; the user needs to determine how to propagate or otherwise deal with this uncertainty.
-Jason
Dear Ifeffit users,
I have a very simple doubt about reporting the uncertainties in R_fit.
In the fit, I have assumed that a bond length changes by a constant fraction, *alpha* such that
Delta R = R_effective * alpha
and,
R_fit = R_effective +/- Delta R
I can get uncertainties in the fitted value of *alpha* from artemis. But the question is how to work out the uncertainties in the R_fit. Will it be same as that of *alpha* ??
Thanks in advance !!!
With best regards,
Jatin
Helmholtz-Zentrum Berlin für Materialien und Energie GmbH
Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.
Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph
Geschäftsführung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking
Sitz Berlin, AG Charlottenburg, 89 HRB 5583
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D-14109 Berlin
http://www.helmholtz-berlin.de
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