[Ifeffit] k-weight in Artemis

Juan Antonio Maciá Agulló Juan.Macia at ua.es
Wed Sep 27 14:15:32 CDT 2006


Scott, how did you calculate bond lenth? delR + Reff?

Scott Calvin wrote:

> 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.
>

Thank you very much
JA
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