Re: [sdpd] Derivative Difference Minimization

[Leonid Solovyov <l_solovyov...@yahoo.com>]

> So, this is a kind of background extraction method
> in a sense ?-).

Since the difference curve after a successful DDM refinement can be
considered as an approximation of residual background, one may use DDM
also for background extraction purposes.

> Not seen in the paper how to calculate the Bragg R factor
> or RF, nor how to obtain the"|Fobs|" in order to make
> a Fourier difference synthesis (but maybe my lecture
> was too in diagonal). Do you still have to model
> the background if you want to make these kinds of
> calculations ? If yes, the DDM method is applicable
> only if your structure model is complete.

I have developed a DDM-based algorithm for |Fobs| extraction and Bragg
R calculation recently. It is already included into the program
released and will be published separately after some testing and
adjustment. Extraction of |Fobs| does not require background modeling
either.

Leonid


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