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Re: [ccp4bb]: Trouble with MTZUTILS
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g.card@auckland.ac.nz wrote:
>
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> Hello all,
>
> I want to strip my mtz file down to JUST HKL I and SIGI, but keeping the
> reflections unmerged for input into SOLVE.
>
> If the intensity of any reflection is greater than 9999, it gets written
> as **** eg. mtzdump on this files gives...
>
> 0 -1 31 **** 988 should be 15745.30 987.52
> 0 -1 35 1780 93 should be 1779.62 92.91
> 0 2 0 **** 1071 should be 18630.25 1071.28
>
> Even if I use the SCALE card I still get the same thing. Com file is
>
> mtzutils HKLIN peak_scala.mtz \
> HKLOUT peak_scala_utils.mtz <<eof
> ONEFILE
> CELL 75.2683 76.8902 295.9316 90.0000 90.0000 90.0000
> SYMMETRY P212121
> INCLUDE I SIGI
> SCALE ALL J 0.01
> <<eof
>
> a) What am I doing wrong?
> b) What is mtzutils doing wrong?
> c) Why are decimal places suppressed?
>
I suspect mtzutils isnt doing anything wrong..
Why dont you specify a format on the mtzdump line,
or use mtz2various to output h k l I SIGI?
ot SFTOOLS I think - look at the GUI - it does it for you..
Eleanor