Re: [ccp4bb] NMR review

2012-01-12 Thread Sangwon Lee
>PS: I am grappling with the meaning of resolution in NMR. I can see that it >could be related to comparable data/parameter ratios, although I am even >less clear about the weights of NMR restraint weights than in the case of MX... >some cross-trained person out there who can explain? Dear Bernhar

Re: [ccp4bb] NMR review

2012-01-12 Thread Ian Tickle
On 12 January 2012 13:02, Weiergräber, Oliver H. wrote: > I think the problem is related to the term "coherence" being used to describe > both the type of *radiation* and the mode of *scattering*. > When talking about (xray) radiation, it denotes the phase relationship > between photons, and the

Re: [ccp4bb] NMR review

2012-01-12 Thread Weiergräber , Oliver H .
ax: +49 2461 61-1448 From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Dirk Kostrewa [kostr...@genzentrum.lmu.de] Sent: Thursday, January 12, 2012 12:25 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] NMR review I'm no

Re: [ccp4bb] NMR review

2012-01-12 Thread Ian Tickle
On 12 January 2012 11:25, Dirk Kostrewa wrote: > I'm not a physicist - but isn't (in)coherence also used to describe the > property of sources of electromagnetic waves with constant wavelength? For > instance, an incoherent sodium vapour light source (only looking at one > emission band) compared

Re: [ccp4bb] NMR review

2012-01-12 Thread Dirk Kostrewa
I'm not a physicist - but isn't (in)coherence also used to describe the property of sources of electromagnetic waves with constant wavelength? For instance, an incoherent sodium vapour light source (only looking at one emission band) compared to a coherent Laser, or the incoherent emission from

Re: [ccp4bb] NMR review

2012-01-12 Thread Ian Tickle
On 12 January 2012 10:33, Dirk Kostrewa wrote: > My understanding of coherence is a constant phase relation between waves. Correct. For a perfect crystal all the unit cells are identical so they scatter in phase and this gives rise to the interference effect we see as Bragg spots, as you say ari

Re: [ccp4bb] NMR review

2012-01-12 Thread Ian Tickle
> We don't see any change of frequency (or wavelength) in the majority > of the scattering from disordered regions so it's Rayleigh (coherent) > scattering.  There will be a small amount of Compton (incoherent) > scattering resulting from the ionisation events which are responsible > for radiation

Re: [ccp4bb] NMR review

2012-01-12 Thread Dirk Kostrewa
out of phase imply incoherent scattering? I though it means inelastic Compton scattering? -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Dirk Kostrewa Sent: Thursday, January 12, 2012 1:58 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] NMR

Re: [ccp4bb] NMR review

2012-01-12 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Bernhard, without ever having looked at an NMR experiment, intuitively the resolution of an NMR experiment should be given as the magnitude of the minimal chemical shift that could be observed/distinguished. Beware that 'resolution' does not nece

Re: [ccp4bb] NMR review

2012-01-12 Thread Ian Tickle
On 12 January 2012 09:57, Dirk Kostrewa wrote: > That doesn't sound wrong to me: the flexible parts are at different relative > positions in the unit cells and thus their "partial-structure scattering > waves" do not have a constant phase relation to each other, i.e., they don't > give a coherent

Re: [ccp4bb] NMR review

2012-01-12 Thread Bernhard Rupp (Hofkristallrat a.D.)
] NMR review Dear Bernhard, Am 12.01.12 10:30, schrieb Bernhard Rupp (Hofkristallrat a.D.): > Dear All, > > I read an interesting statement in an NMR review: > > " regions of a protein or > DNA / RNA molecule that are ?exible in the crystal do not provide > coherent

Re: [ccp4bb] NMR review

2012-01-12 Thread Dirk Kostrewa
Dear Bernhard, Am 12.01.12 10:30, schrieb Bernhard Rupp (Hofkristallrat a.D.): Dear All, I read an interesting statement in an NMR review: " regions of a protein or DNA ⁄ RNA molecule that are flexible in the crystal do not provide coherent X-ray scattering and hence do not contribute to th

[ccp4bb] NMR review

2012-01-12 Thread Bernhard Rupp (Hofkristallrat a.D.)
Dear All, I read an interesting statement in an NMR review: " regions of a protein or DNA ⁄ RNA molecule that are flexible in the crystal do not provide coherent X-ray scattering and hence do not contribute to the final electron density map. Thus, for all intents and purposes, they can effectiv