View source for Calculate average I/sigma from .sca file

This python script will analyze a .sca-file and print out the key statistics missing from the standard SCALEPACK log-file, namely <math><I/sigma></math> per resolution shell.  Syntax is quite simple

  ./ioversigma.py <.sca-file name> <number of shells>

The number of shells is an optional parameter and defaults to 10 if omitted.

[https://docs.google.com/uc?id=0Bxe0ET6Vsx-kZmM2YWZkNmYtMjQxZS00N2U3LTg1YTgtM2EwMTY5MzFlNjAw&export=download&hl=en Get ioversigma.py here]

This works on '''merged''' intensities, i.e. the standard scalepack output.  An alternative below uses the '''unmerged''' output from scalepack.

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An alternative is to use SCALA (you will also need to assign the cell and symmetry) after pointless :

 pointless -c scain ... 

 scala hklin from_pointless.mtz hklout merged.mtz << eof
 run 1 all
 scales constant
 sdcorrection noadjust norefine both 1 0 0
 cycles 0
 eof

This will just remerge the measurements and give you the usual merging analysis from Scala. 
Same trick also works with data from XDS/XSCALE; in that case use
 pointless xdsin ...


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