Dear colleagues,
I would like to express my thanks for all of your responses. I was able to find some "reasonable" initial space group hits, and now I have to fight against divergent refinement of cell parameters, and other things, but I hope I can solve this difficulties in some time.
Actually, I have tried more than half of your suggestions before, but I still learned a lot from you. I think that this community is so far the best what internet offers. ;) Many thanks again.
Petr
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Petr Kolenko
[log in to unmask]http://kolda.webz.cz
2010/11/23 Petr Kolenko
<[log in to unmask]>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
[log in to unmask]
http://kolda.webz.cz
