Hi,

I agree with what has been mentioned about "fuzzy spots". But what seems obvious as well is that the resolution for spot picking should be limited (to 3.5 or 4 A resolution). It is difficult to judge from an image of a diffraction pattern, but it seems to me from this image that the spots do not extend to the limits of the detector, whereas the spot picking algorithm wishes to find spots on the entire detector surface.

Fred.

Petr Kolenko wrote:
Dear colleagues,

I am working on one dataset that is hard to process. The data are about 3A of resolution. As we are not able to reproduce the experiment again, I have to use this one, collected in a dirty way. The problem starts immediately with finding of spots. I have tried HKL2000, XDS, D*trek, ipmosflm, imosflm, but none of them gave a good read-out of the images. All the programs find some spots in wrong positions and the real spots are not covered. Here is an example:

http://kolda.webz.cz/image-predictions.jpg

The data were collected in-house, Saturn 944++ CCD, and all the necessary information should be in the header properly. I checked the distance, other parameters, but the problem is with finding of "correct" or "real spots" on the image. This should be even header-independent, should not? All the programs fail (or even crash) in this routine. Does anyone have any suggestion, please?

Btw, we have several structures in the PDB from this experimental setup. This is the first problem I have met.

Many thanks for any response.

Petr

--
Petr Kolenko
petr.kole...@biochemtech.uni-halle.de <mailto:petr.kole...@biochemtech.uni-halle.de>
http://kolda.webz.cz

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