Thanks Jan,<br><br>Switching from standard mode to expert put the space group option back and the problem was solved. The ccp4i problem may be a bug.<br><br>To use unmerged data was inspired by a talk Gerard gave. My data has severe radiation damage, and he said using unmerged data and some time-dependent compensation model, the anomalous signal will be enhanced somehow. Anyone has some more real life example on this issue?
<br><br>Jinsong<br><br><br><div><span class="gmail_quote">On 1/19/06, <b class="gmail_sendername">Jan Abendroth</b> <<a href="mailto:JanAbend@u.washington.edu">JanAbend@u.washington.edu</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Jinsong,<br>as far as I remember, switching from standard to expert mode helped with<br>the space group issues and non-merged data. However, I did not see any<br>difference between using unmerged and merged data after all.
<br><br>Two more things that I noticed with the new Sharp version:<br><br> * the output mtz-files always have HKLs to 1.5AA resolution,<br> although the input data barely make it to 3AA...<br> * Autosharp does not seem to stick to the resolution limits defined
<br> by the user in the input file. Instead, it uses the highest<br> resolution as in the input mtz-file. In non-auto-Sharp, however,<br><br>Are these general observations or are there problems with our installation?
<br><br>Cheers<br>Jan<br><br>Jinsong Liu wrote:<br><br>> Dear All,<br>><br>> Anyone has the Autosharp running with unmerged scalepack file? I took<br>> a scalepack file (with "no merge original index" option) and run
<br>> autosharp. There is only "unit cell" in the autosharp setup, so I put<br>> in the cell constant, and the sca file has the space group info in the<br>> header. But the autosharp run failed and complained "difference in
<br>> space group, input=(empty) from file=C2221". I can see nowhere I can<br>> manually input the space group information.<br>><br>> So I tried the ccp4i approach and hope I could get around with this<br>
> problem. But the run also failed, but with difference error message,<br>> "ERROR : data file output.sca for wavelength 1 is not a MTZ file". In<br>> the ccp4i window I DID choose the "input file is in SCALEPACK
<br>> (unmerged) format" option.<br>><br>> I'm very confused now. Anyone can give me a clue what went wrong?<br>><br>> Many thanks.<br>><br>> Jinsong<br>><br>>Jinsong Liu, Ph.D.<br>>Investigator
<br>>Guangzhou Institute of Biomedicine and Health (GIBH)<br>>Chinese Academy of Sciences<br>><br>>Guangzhou ( Canton ) 510663, China<br>>Phone: 86-20-32290431 (Office)<br>>E-mail: <a href="mailto:liu_jinsong@gibh.org">
liu_jinsong@gibh.org</a><br>>Second E-mail:<br>><a href="mailto:jinsong.liu@gmail.com">jinsong.liu@gmail.com</a><br>><br>><br>><br>><br>><br>>------------------------------------------------------------------------
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http://www.globalphasing.com/mailman/listinfo/sharp-discuss</a><br>><br>><br><br><br>--<br>Jan Abendroth<br>Howard Hughes Medical Institute and<br>University of Washington<br>1959 NE Pacific Street, K-426<br>Box 357742
<br>Seattle, WA-98195<br>phone: +1-206-616-4510<br>fax: +1-206-685-7002<br><br><br></blockquote></div><br>