Dear Monica:
To calculate Diffraction Precision Index (DPI) and individual atomic coordinate errors:
You could either go through the IUCrJ article entitled "Do we see what we should see? Describing non-covalent interactions in protein structures including precision" (http://journals.iucr.org/m/issues/2014/01/00/mf5001/index.html) and preform a back-of-the-envelope calculation using equation 1 and 2
or more conveniently just use the Online_DPI web-server (http://cluster.physics.iisc.ernet.in/dpi/)
Reference: J. Appl. Cryst. (2015) 48, doi:10.1107/S1600576715006287.
I hope that answered your question.
Cheers,
Gurusaran M,
Research Assistant,
Supercomputer Education and Research Centre,
Indian Institute of Science,
Bangalore,
India.
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