Re: [ccp4bb] truncate ignorance

2008-09-16 Thread Ian Tickle
reflection overlap, we should continue to use the method presently implemented in TRUNCATE for the majority of routine structure determinations. Cheers -- Ian > -Original Message- > From: Marc SCHILTZ [mailto:[EMAIL PROTECTED] > Sent: 10 September 2008 17:00 > To: Ian Tickle

Re: [ccp4bb] truncate ignorance

2008-09-10 Thread Marc SCHILTZ
Well, I was pointing to the Sivia & David (1994) paper because I thought it might be helpful in the discussion about how to convert intensities to amplitudes. The paper is probably not so well known in the PX community, so I decided that I would advertise it on this BB. However, since I am not one

Re: [ccp4bb] truncate ignorance

2008-09-09 Thread Phoebe Rice
erall diffraction limits are roughly isotropic, in certain resolution shells isotropy is still a bad assumption. Phoebe Original message >Date: Tue, 9 Sep 2008 09:59:58 +0100 >From: Eleanor Dodson <[EMAIL PROTECTED]> >Subject: [SPAM:#] Re: [ccp4bb] truncate ignorance >To

Re: [ccp4bb] truncate ignorance

2008-09-09 Thread Ian Tickle
For comparison I repeated my previous calculation using the flat (non-Wilson) prior that you suggested (you would get the same results using the F&W method in the limit of an infinite WDP). So now the results are indeed totally independent of the WDP - but IMO the results are also completely count

Re: [ccp4bb] truncate ignorance

2008-09-09 Thread Ian Tickle
> -Original Message- > From: Bart Hazes [mailto:[EMAIL PROTECTED] > Sent: 08 September 2008 23:44 > To: Ian Tickle > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] truncate ignorance > > > How a seemingly innocent question can explode ... Well the

Re: [ccp4bb] truncate ignorance

2008-09-09 Thread Eleanor Dodson
** - Original Message - From: "Ethan Merritt" <[EMAIL PROTECTED]> To: Sent: Monday, September 08, 2008 3:03 PM Subject: Re: [ccp4bb] truncate ignorance On Monday 08 September 2008 12:30:29 Phoebe Rice wrote: Dear Experts, At the risk o

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Peter Zwart
> However, when you > need amplitudes, truncate is the way to go. Better is to buy a detector that records amplitudes rather then intensities: http://shelx.uni-ac.gwdg.de/SHELX/#FAQs%20smallmol P

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Bart Hazes
[mailto:[EMAIL PROTECTED] On Behalf Of [EMAIL PROTECTED] Sent: 08 September 2008 22:20 To: Jacob Keller Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] truncate ignorance I would also recommend reading of the following paper: D.S. Sivia & W.I.F. David (1994), Acta Cryst. A50, 703-714. A Bayesi

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Ian Tickle
[mailto:[EMAIL PROTECTED] On Behalf Of [EMAIL PROTECTED] > Sent: 08 September 2008 22:20 > To: Jacob Keller > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] truncate ignorance > > I would also recommend reading of the following paper: > > D.S. Sivia & W.I

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Ian Tickle
> [mailto:[EMAIL PROTECTED] On Behalf Of [EMAIL PROTECTED] > Sent: 08 September 2008 22:20 > To: Jacob Keller > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] truncate ignorance > > I would also recommend reading of the following paper: > > D.S. Sivia & W.I.F.

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Peter Zwart
> I believe also that in an earlier posting Peter Zwart said he thought > that CNS doesn't take account of the Wilson distribution when doing its > version of the correction; if this is true (and I have no independent > evidence that it is since I'm not a CNS user), then the above argument > i

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Ian Tickle
> -Original Message- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of Jon Wright > Sent: 08 September 2008 21:29 > To: Borhani, David > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] truncate ignorance > > Borhani, David wrote: > >

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread marc . schiltz
"Ethan Merritt" <[EMAIL PROTECTED]> To: Sent: Monday, September 08, 2008 3:03 PM Subject: Re: [ccp4bb] truncate ignorance On Monday 08 September 2008 12:30:29 Phoebe Rice wrote: Dear Experts, At the risk of exposing excess ignorance, truncate makes me very nervous because I do

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Ethan Merritt
On Monday 08 September 2008 13:29:24 Jon Wright wrote: > Borhani, David wrote: > > ... > > but I think pretty much everyone has converged on using it for the > > past many years. > > Many small molecule crystallographers seem to refine on intensity and so > avoid need this procedure. I would ra

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Jacob Keller
] *** - Original Message - From: "William Scott" <[EMAIL PROTECTED]> To: "Jacob Keller" <[EMAIL PROTECTED]> Cc: Sent: Monday, September 08, 2008 3:28 PM Subject: Re: [ccp4bb] truncate ignorance It is A34: 517 htt

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Jon Wright
Borhani, David wrote: ... but I think pretty much everyone has converged on using it for the past many years. Many small molecule crystallographers seem to refine on intensity and so avoid need this procedure. Towards the end of the recent thread "Wilson plot from truncated.mtz" it had seeme

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread William Scott
Message - From: "Ethan Merritt" <[EMAIL PROTECTED] > To: Sent: Monday, September 08, 2008 3:03 PM Subject: Re: [ccp4bb] truncate ignorance On Monday 08 September 2008 12:30:29 Phoebe Rice wrote: Dear Experts, At the risk of exposing excess ignorance, truncate makes me very n

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Jacob Keller
: 847.491.2438 cel: 773.608.9185 email: [EMAIL PROTECTED] *** - Original Message - From: "Ethan Merritt" <[EMAIL PROTECTED]> To: Sent: Monday, September 08, 2008 3:03 PM Subject: Re: [ccp4bb] truncate ignorance On Monday 08 September 2008

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Ethan Merritt
On Monday 08 September 2008 12:30:29 Phoebe Rice wrote: > Dear Experts, > > At the risk of exposing excess ignorance, truncate makes me > very nervous because I don't quite get exactly what it is > doing with my data and what its assumptions are. > > From the documentation: > ==

Re: [ccp4bb] truncate ignorance

2008-09-08 Thread Borhani, David
08, 2008 3:30 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] truncate ignorance > > Dear Experts, > > At the risk of exposing excess ignorance, truncate makes me > very nervous because I don't quite get exactly what it is > doing with my data and wha

[ccp4bb] truncate ignorance

2008-09-08 Thread Phoebe Rice
Dear Experts, At the risk of exposing excess ignorance, truncate makes me very nervous because I don't quite get exactly what it is doing with my data and what its assumptions are. >From the documentation: ... the "truncate" procedure (ke