A few figures in BMC re truncation effects:
http://www.ruppweb.org/Garland/gallery/Ch9/pages/Biomolecular_Crystallography_Fig_9-05_PART1.htm
http://www.ruppweb.org/Garland/gallery/Ch9/pages/Biomolecular_Crystallography_Fig_9-05_PART2.htm
On 3/5/2020 11:00 AM, Jessica Besaw wrote:
> Hello Matthias,
>
> Excellent point. Most of the the ordered water are easily visible at 2
> rmsd. The central disordered (or partially occupied) water becomes
> visible only at 1.3 - 1.4 rmsd, and it is very visible at 1 rmsd (which
> I have displayed
Dear James,
important and educational points! This triggers some thoughts ...
The one point where I don't quite agree is with "What about filtering out the
noise? An ideal noise suppression filter has the same shape as the signal (I
found that in Numerical Recipes), and the shape of the
Series termination is a problem when you leave out Fourier
coefficients that have significant amplitude. Back in the old days when
we cut data aggressively it was something to worry about. Now that most
everyone integrates down to very weak intensities it shouldn't be much
of a problem.
Hello Matthias,
Excellent point. Most of the the ordered water are easily visible at 2
rmsd. The central disordered (or partially occupied) water becomes visible
only at 1.3 - 1.4 rmsd, and it is very visible at 1 rmsd (which I have
displayed all of the maps). In your opinion, do you think this
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