Hi, According to the phenix documentation, phenix.refine generates free R that are evenly distributed over the resolution, making sure that relatively thin resolution bins receive enough of reflections. The default behavior is to flag 5% of reflections up to a maximum of 2000. However,in some high-resolution structure, the percent for R-free test set which was generated by phenix.refine might be smaller than 1%, and it was a small percentage. Are there anticles related to the generation of R-free flag by phenix? Sincerely yours, Shiheng Liu
Hi, if 5% generates more than 2000 reflections then 2000 is chosen as the max, which can be substantially less than 5% in some cases. Pavel PS.: It used to be 10% which I believe is much better. Someone must have changed this at some point and I overlooked it. On 2/26/12 10:54 PM, 刘世恒 wrote:
Hi,
According to the phenix documentation, **phenix.refine generates free R that are evenly distributed over the resolution, making sure that relatively thin resolution bins receive enough of reflections. The default behavior is to flag 5% of reflections up to a maximum of 2000. However,in some high-resolution structure, the percent for R-free test set which was generated by phenix.refine might be smaller than 1%, and it was a small percentage. Are there anticles related to the generation of R-free flag by phenix?
Sincerely yours, Shiheng Liu
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On Mon, Feb 27, 2012 at 7:17 AM, Pavel Afonine
if 5% generates more than 2000 reflections then 2000 is chosen as the max, which can be substantially less than 5% in some cases.
Pavel
PS.: It used to be 10% which I believe is much better. Someone must have changed this at some point and I overlooked it.
The defaults in phenix.refine are unchanged. The reflection file editor, however, changes the fraction to 5% and removes the upper limit. -Nat
Why did we remove the upper limit? It seems like a good thing. On Feb 27, 2012, at 10:21 AM, Nathaniel Echols wrote:
On Mon, Feb 27, 2012 at 7:17 AM, Pavel Afonine
wrote: if 5% generates more than 2000 reflections then 2000 is chosen as the max, which can be substantially less than 5% in some cases.
Pavel
PS.: It used to be 10% which I believe is much better. Someone must have changed this at some point and I overlooked it.
The defaults in phenix.refine are unchanged. The reflection file editor, however, changes the fraction to 5% and removes the upper limit.
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Paul Adams Deputy Division Director, Physical Biosciences Division, Lawrence Berkeley Lab Division Deputy for Biosciences, Advanced Light Source, Lawrence Berkeley Lab Adjunct Professor, Department of Bioengineering, U.C. Berkeley Vice President for Technology, the Joint BioEnergy Institute Laboratory Research Manager, ENIGMA Science Focus Area Building 64, Room 248 Tel: 1-510-486-4225, Fax: 1-510-486-5909 http://cci.lbl.gov/paul Lawrence Berkeley Laboratory 1 Cyclotron Road BLDG 64R0121 Berkeley, CA 94720, USA. Executive Assistant: Louise Benvenue [ [email protected] ][ 1-510-495-2506 ] --
The limit repeatedly confused (GUI) users who couldn't figure out why
they only had 2% of reflections flagged when they asked for 5%. Since
that particular GUI has been re-arranged, we could restore the limit
but make it more obvious - in the past this was somewhat of a black
box and the inconsistency was annoying.
On Wed, Feb 29, 2012 at 6:43 AM, Paul Adams
Why did we remove the upper limit? It seems like a good thing.
On Feb 27, 2012, at 10:21 AM, Nathaniel Echols wrote:
On Mon, Feb 27, 2012 at 7:17 AM, Pavel Afonine
wrote: if 5% generates more than 2000 reflections then 2000 is chosen as the max, which can be substantially less than 5% in some cases.
Pavel
PS.: It used to be 10% which I believe is much better. Someone must have changed this at some point and I overlooked it.
The defaults in phenix.refine are unchanged. The reflection file editor, however, changes the fraction to 5% and removes the upper limit.
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Paul Adams Deputy Division Director, Physical Biosciences Division, Lawrence Berkeley Lab Division Deputy for Biosciences, Advanced Light Source, Lawrence Berkeley Lab Adjunct Professor, Department of Bioengineering, U.C. Berkeley Vice President for Technology, the Joint BioEnergy Institute Laboratory Research Manager, ENIGMA Science Focus Area
Building 64, Room 248 Tel: 1-510-486-4225, Fax: 1-510-486-5909 http://cci.lbl.gov/paul
Lawrence Berkeley Laboratory 1 Cyclotron Road BLDG 64R0121 Berkeley, CA 94720, USA.
Executive Assistant: Louise Benvenue [ [email protected] ][ 1-510-495-2506 ] --
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participants (4)
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Nathaniel Echols
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Paul Adams
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Pavel Afonine
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刘世恒