[phenixbb] Geometry Restraints - Anisotropic truncation

Pavel Afonine pafonine at lbl.gov
Thu May 3 10:09:18 PDT 2012

Hi Sebastiano,

hm.. I don't know, I didn't have chance to think about it, I just found 
it attractive and easy to do Kendall's experiment, and post the results. 
Despite the obviousness of the result, something tells me that it's not 
that easy, but I'm not in the most convenient moment to carry out such a 
delicate process as thinking -;)

I still don't like the idea of throwing data, even if some of list 
members believe it is not data but junk. That requires a thorough 
thinking and comprehensive testing: sounds like a project for someone to do.

So, no - I would not take the result of this test as a green light to 
run all data sets through aniso-truncation server, no.

What if you just start trying blindly removing reflections one by one 
and see if removing each one decreases the R, and actually remove one if 
and only if it does decrease R? That would be a way to come up with very 
robust and unjustifiable protocol of lowering R, but does anyone really 
want it?

I think mathematicians should know methods to measure information 
content in the data, and that would probably a better route to take.


More information about the phenixbb mailing list