[sharp-discuss] sharp output (eden.mtz)

[Clemens Vonrhein]

Hi Dylan,

the way MTZ files are organised, they can hold up to 500 'columns' per
reflection. There are always the same number of columns for each
reflection record in the MTZ file - although sometimes you might have
MNF (missing number flag) for some data items (represented as '?' if
you run MTZDUMP on the MTZ file). For a detailed description of the
MTZ format please see

  http://www.ccp4.ac.uk/dist/html/mtzformat.html

 ---------------------------------------------------------------

If you want to know what column is what in the eden.mtz, see:

  http://www.globalphasing.com/sharp/manual/appendix1.html#eden

and for resid.mtz:

  http://www.globalphasing.com/sharp/manual/appendix1.html#resid

The interesting columns for you should be:

  eden.mtz:

    FP/SIGFP        : 'native' amplitude and sigma
    HLA,HLB,HLC,HLD : phase probability (Hendrickson-Lattmann
                      coefficients)
    Fcent/PHIcent   : amplitude/phase for map (light atoms only)
    FB/PHIB         : amplitude/phase for map

If you let me know what the next step is you want to do I could tell
you how to use these files. If you run SHARP/autoSHARP through the
httpd (highly recommended) you will not need to bother about what
column is what: all the extra tools take care of that (residual map
analysis, density modification, looking at maps with Coot, O, Xfit
etc).

Cheers

Clemens


On Tue, Feb 13, 2007 at 03:06:57PM -0500, Dylan Murray wrote:
> Hello,
> 
> I am looking at the mtz output (both eden.mtz and resid.mtz) from  
> SHARP and am rather confused.  The mtz files contain multiple entries  
> for each reflection.  Are things supposed to be this way?  What do the  
> multiple entries mean?  Why are there five for some hkl and only two  
> for others?
> 
> Thanks for any help.
> 
> Dylan Murray
> 
> 
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss at globalphasing.com
> https://www.globalphasing.com/mailman/listinfo/sharp-discuss
> 

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