Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Ronald E Stenkamp
But at some point, getting a "clear map" might not be the goal. If you're in refinement mode, the weak reflections also provide information that your model needs to fit. I find (or /) to be about as useful as Rmerge (or its relatives). Ron On Wed, 9 Jun 2010, James Holton wrote: Frank von

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread James Holton
Frank von Delft wrote: On 09/06/2010 16:49, James Holton wrote: Operationally, I recommend treating anisotropic data just like isotropic data. There is nothing wrong with measuring a lot of zeros (think about systematic absences), other than making irrelevant statistics like Rmerge higher.

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Frank von Delft
On 09/06/2010 16:49, James Holton wrote: Operationally, I recommend treating anisotropic data just like isotropic data. There is nothing wrong with measuring a lot of zeros (think about systematic absences), other than making irrelevant statistics like Rmerge higher. One need only glance at t

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Bosch, Juergen
I vaguely recall an email from Kay Diderich about 3 years ago to this board but I couldn't find it, describing a neat method of distorting the diffraction image to meet the ellipsoidal characteristics of the anisotropic diffraction. But I might be confusion myself, anyhow Kay can you comment on

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread James Holton
Frederic VELLIEUX wrote: Anisotropy in the diffraction pattern could simply be due to the shape of the crystals. The intensity of diffraction is a function of the volume of diffracting matter that is hit by the X-ray beam. Think for example of a thin plate crystal, which you rotate in the X-ra

Re: [ccp4bb] AW: AW: AW: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Bosch, Juergen
h.edu>> An: Marie Lacroix mailto:lacroix.ma...@rocketmail.com>> Gesendet: Mittwoch, den 9. Juni 2010, 16:01:56 Uhr Betreff: Re: AW: AW: [ccp4bb] Anisotropic data and an extremely long c axis Does this coincide with the direction of better diffraction ? Jürgen - Jürgen Bosch Johns Hopkins Bloomberg

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Tim Gruene
Dear Marie, I believe that the first of Fred's explanations can mostly be corrected for by scaling (and it could partly be overcome by longer exposure times as long as radiation damage does not kick in). In your case, where one cell axis is about 10x as long as the other two, Fred's second explan

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread harry powell
Hi Many years ago I coded up integration using anisotropic resolution limits for Mosflm - it seemed to work well, but the refinement programs available at the time really didn't like huge regions of reciprocal space having no data in them - they preferred to have measurements there with s

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Frederic VELLIEUX
of solvent in the third direction). HTH, Fred. > Message du 09/06/10 14:33 > De : "Marie Lacroix" > A : CCP4BB@JISCMAIL.AC.UK > Copie à : > Objet : [ccp4bb] Anisotropic data and an extremely long c axis > > > > > > Hi, > > I also have a

Re: [ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Jose Antonio Cuesta Seijo
A first concern with that extreme anisotropy is at the integration and scaling stages. Large swaths of your detector are empty of reflections, but they will still bias the way reference profiles are calculated at integration; while the lots of reflections with intensities around 0 (but with signifi

[ccp4bb] Anisotropic data and an extremely long c axis

2010-06-09 Thread Marie Lacroix
Hi, I also have a question concerning anisotropic data. Collected a data set and the best crystal gave highly anisotropic diffraction patterns ( 3.7 A - 5.8 A). So my first question is how to handle these data. I got only experience with "normal data" using the ccp4 suite. Are there any pro