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Pr. Nadir T. Mrabet
Cellular & Molecular Biochemistry
INSERM U-724
UHP - Nancy 1, School of Medicine
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France
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Michael K Swan wrote:
Hi All,
I have a question about processing in HKL2000.
I have a dataset which looks like it will go out to 2.5A but the
problem is that when I have integrated the 360 frames (180degrees) to
2.4A I get a large number of rejects on scaling which exceeds the
50000 limit. So is there any way to increase this limit or another
method of reducing the number of rejects?
I can get scaling to work if I either cut the resolution down to 3.0
or lower but alternatively if I exclude alot of frames and leave say
90 then the rejects are below 50000 and the scaling produces data that
looks good to at least 2.6-2.5A according to the I/sigma and an Rmerge
<0.5 in the final shell, however the completeness suffers due to the
low number of frames.
I should also say that I am suspicious that one of the reasons for all
the rejects might be that in the centre of the pattern the spots are
of a good radial shape but towards the edge they become more
elongated. I tried using the elliptical spot feature of HKL2000 but
this doesn't seem to be ideal as the spots are not always elongated in
the same direction.
Any thoughts or suggestions would be much appreciated,
Mike Swan.
