This is about going to what you guys call q-space. It's often of interest to be able to display the contributions from specific
shells,
thus showing off such things as beat-nodes. For instance, in phyllomanganates, the Mn-O first shell is often not of great interest,
but
the split Mn-Mn second shell is.
mam
----- Original Message -----
From: "Scott Calvin"
Just to clarify...do you mean you're doing the fits in q-space (i.e. the back transform)? Or do you actually mean that the window used in k-space to get to R-space shouldn't have sharp corners? After all, if you're fitting in R-space, Artemis doesn't use an R-space window per se, just a fitting range.
--Scott Calvin Sarah Lawrence College
At 12:36 PM 9/28/2006, you wrote:
I've always been told that when doing Fourier filtering, the R-space window shouldn't have sharp corners. Artemis, for instance, allows you to vary this, and by default puts shoulders on the window. I have a user who now wants the sharp corners, claiming that it provides the best filtering. He describes this as "doing the FT in a region of R-space". What does the Assembled Multitude think of the risk of termination effects with a rectangular window? mam
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