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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 -- 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 >