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Calculate average I/sigma from .sca file: Difference between revisions
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Calculate average I/sigma from .sca file (edit)
Revision as of 17:06, 16 December 2010
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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 | 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> | ./ioversigma.py <.sca-file name> <number of shells> | ||
The number of shells is an optional parameter and defaults to 10 if omitted. | The number of shells is an optional parameter and defaults to 10 if omitted. | ||
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[https://docs.google.com/uc?id=0Bxe0ET6Vsx-kZmM2YWZkNmYtMjQxZS00N2U3LTg1YTgtM2EwMTY5MzFlNjAw&export=download&hl=en Get ioversigma.py here] | [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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Same trick also works with data from XDS/XSCALE; in that case use | Same trick also works with data from XDS/XSCALE; in that case use | ||
pointless xdsin ... | pointless xdsin ... | ||
Back to [[Useful scripts (aka smart piece of code)]] | |||