FAQ: Difference between revisions

85 bytes added ,  3 January 2011
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Q: Is there a way to automatically set the high resolution limit based on an I/sigma cutoff?
Q: Is there a way to automatically set the high resolution limit based on an I/sigma cutoff?


A: no. Different purposes require different cutoffs: refinement and MR may be done with data down to 1 to 2 sigma; sulfur SAD needs 30 sigma.
A: no. Different purposes require different cutoffs: refinement and MR may be done with data down to 1 or 2 sigma; sulfur SAD needs 30 sigma for finding the S sites.


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Q: What is the best way to create mtz files? With the Xscale/xdsconv I often obtain intensity values that are marked *** stars - probably overshooting a formatting limit.
Q: What is the best way to create mtz files? With the Xscale/xdsconv I often obtain intensity values that are marked *** stars - probably overshooting a formatting limit.


A: do you mean the *** stars appear in the output of mtzdump? That would be a problem of mtzdump only, and irrelevant for the use of the MTZ file. The XDS/XSCALE/XDSCONV route should not produce these stars (the proper Fortran formats are used throughout).
A: do you mean the *** stars appear in the output of mtzdump? That would be a problem of mtzdump output only, and irrelevant for the use of the MTZ file. The XDS/XSCALE/XDSCONV route should not produce these stars (the proper Fortran formats are used throughout).


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Q: How does one check you've got the ice-rings excluded correctly ? (ie Is there a visual way of  
Q: How does one check you've got the ice-rings excluded correctly ? (ie is there a visual way of  
checking?)
checking?)


A: look at the Wilson plot.
A: look at the Wilson plot, and the list of outliers at the bottom of CORRECT.LP.


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