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PiRSquared17 / cing

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Need to omit the outliers before calculating the average dihedral angles in 1D plot. #328

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
What steps will reproduce the problem?

1. Look at e.g.:
http://nmr.cmbi.ru.nl/NRG-CING/data/kq/2kq3/2kq3.cing/2kq3/HTML/Molecule/A/ASP19
2. There is a nice cluster but the outliers distort the average which is not so 
nice.

Original issue reported on code.google.com by jurge...@gmail.com on 22 Mar 2012 at 9:30

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 22 Mar 2012 at 9:30

GoogleCodeExporter commented 9 years ago 
This was observed for the CHI-1 dihedral there.
Fixed in revision 1154.

Original comment by jurge...@gmail.com on 28 Mar 2012 at 12:43