[R] Goodness of fit for a Rietveld Refinement

[rflood13]

Hi folks,

Wondering if anyone might be able to help me on this one. I have just done
some geochemistry with X-ray Diffraction and Rietveld Refinement in order to
quantify the data. I have a observed spectra from my sample and a calculated
spectra from the Rietveld Refinement (in the attached image, along with the
background). I was wondering is there a package in R that I might be able to
use that would essentially show me how well (or how poorly) fitted the
Rietveld calculated spectra was with regard to my observed spectra? It's
essentially a goodness of fit or R-squared value but I've been having some
difficulty finding the right way to assess the model fit. I'd appreciate any
information or tips anyone might have.

Kind regards,

Rory Flood.

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Rory Flood
Postgraduate Research Student
Room 02 044, Elmwood Building
School of Geography, Archaeology and Palaeoecology
Queen's University Belfast
Belfast BT7 1NN
Co. Antrim
Northern Ireland

Tel: +44 (0) 28 9097 3929
Email: rflood02 at qub.ac.uk
__________________________________

<http://r.789695.n4.nabble.com/file/n4678470/Spectra.jpg> 



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