[Ifeffit] Consistency criterion

[Juan Antonio Maciá Agulló]

Hi all,

Scott answered my question about consistency but now I have a new doubt.
I have two fits (one in k1 and other in k3 weights) with fitted
parameters that have
uncertainty ranges overlaped, then... in principle, they are consitent,
right?
But the fit in k1 weight have a R-factor too high (0.06) and therefore
is not a good fit. So I do not know if I can say that they are
consistent even so.

Thank you very much

Best regards,
JA


>I read in Artemis manual that a good fit must be consistent for
different
>k-weights. When two fits (one with k1 and other with k3) are
consistent? I
>mean, which is maximum allowed difference, 1%, 5%...between these two
fits?

Ideally, the fitted parameters should have
uncertainty ranges that overlap. For example, one
bond length might be 2.03 +/- 0.04 angstroms, and
the equivalent bond length using a different
k-weight might be 2.09 +/- 0.03 angstroms.
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Juan.Macia.vcf
Type: text/x-vcard
Size: 286 bytes
Desc: Tarjeta para Juan Antonio Maciá Agulló
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20060928/817f6467/attachment.vcf>