Dear Crystallographers,
One can see from many posts on this listserve that in any given x-ray
diffraction experiment, there are more data than merely the diffraction
spots. Given that we now have vastly increased computational power and data
storage capability, does it make sense to think about changing the paradigm
for model refinements? Do we need to "reduce" data anymore? One could
imagine applying various functions to model the intensity observed at every
single pixel on the detector. This might be unneccesary in many cases, but
in some cases, in which there is a lot of diffuse scattering or other
phenomena, perhaps modelling all of the pixels would really be more true to
the underlying phenomena? Further, it might be that the gap in R values
between high- and low-resolution structures would be narrowed significantly,
because we would be able to model the data, i.e., reproduce the images from
the models, equally well for all cases. More information about the nature of
the underlying macromolecules might really be gleaned this way. Has this
been discussed yet?
Regards,
Jacob Keller
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
F. Searle 1-240
2240 Campus Drive
Evanston IL 60208
lab: 847.491.2438
cel: 773.608.9185
email: j-kell...@northwestern.edu
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