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CTRUNCATE

CTRUNCATE, included in CCP4-6.0.99a onwards, is a crystallographic tool for anisotropy correction, NCS checks, twinning tests, statisical analysis, and more. It is the default option in Truncate GUI and has been tested at the India workshop. The tool provides various analyses such as H test, L test, Wilson plot, and moments of E. It can truncate anisotropic data at the resolution limit in the weakest direction and perform twin tests using corrected data. Future work includes first principles twinning calculation and attempts to correct for translational NCS using unmerged data.

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CTRUNCATE

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  1. CTRUNCATE Norman Stein CCP4 Daresbury Laboratory Abingdon 18/3/08

  2. Current Status • Current version is 0.1.07. • Included in CCP4-6.0.99a onwards. • Default option in Truncate gui. • Tested at India workshop • Documentation as from CCP4-6.0.99c

  3. What’s included? • Anisotropy correction • Check for translational NCS • Check for twinning (from table) • H test and L test • Statistics: Moments of E Cumulative distribution function Wilson plot

  4. Use of anisotropy • Truncate anisotropic data at resolution limit in weakest direction • Twinning tests, moments of E, cumulative distribution functions use corrected data • Wilson plot and output SF’s use raw data

  5. FUTURE WORK • First principles twinning calculation • Attempt to correct for translational NCS • Work with unmerged data

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