Re: [ccp4bb] Deposition of a BUSTER refined structure

2010-03-03 Thread Robbie Joosten
percent(age point). Cheers, Robbie Joosten > Date: Tue, 2 Mar 2010 08:44:18 -0800 > From: merr...@u.washington.edu > Subject: Re: [ccp4bb] Deposition of a BUSTER refined structure > To: CCP4BB@JISCMAIL.AC.UK > > On Tuesday 02 March 2010 07:09:

Re: [ccp4bb] Deposition of a BUSTER refined structure

2010-03-03 Thread John Badger
I would echo Ethan on this metric being something of a relic and add a bit more data. Several years ago I tried to get a practical solution to the questions: - when is a refinement finished? - how to detect the correctable abnormalities (errors) in a structure so they can all be corrected durin

Re: [ccp4bb] Deposition of a BUSTER refined structure

2010-03-02 Thread Ethan Merritt
On Tuesday 02 March 2010 07:09:47 Melanie Vollmar wrote: > Hi all > > I did my first deposition of a BUSTER refined structure and I was very > surprised when I was asked for an "estimated error of free R value" and > "estimated error of bin free R value" as well an "ESD based on Luzzati Plot"

Re: [ccp4bb] Deposition of a BUSTER refined structure

2010-03-02 Thread Roberto Steiner
Dear Melanie On 2 Mar 2010, at 15:09, Melanie Vollmar wrote: Hi all I did my first deposition of a BUSTER refined structure and I was very surprised when I was asked for an "estimated error of free R value" and "estimated error of bin free R value" as well an "ESD based on Luzzati Plot"

Re: [ccp4bb] Deposition of a BUSTER refined structure

2010-03-02 Thread Gerard Bricogne
Dear Melanie, Thank you for your message. You can find the number for the ESD based on the Luzzati Plot in the REMARK3 section of the header. Several other coordinate ESD values are listed as well, based on the DPI definitions of Cruickshank and of Blow. There is a line for the Estimated erro

[ccp4bb] Deposition of a BUSTER refined structure

2010-03-02 Thread Melanie Vollmar
Hi all I did my first deposition of a BUSTER refined structure and I was very surprised when I was asked for an "estimated error of free R value" and "estimated error of bin free R value" as well an "ESD based on Luzzati Plot" during the deposition process. I had a detailed look into the refi