HKL-2000 has a menu button at the top "Report". If you click on that a report is generated with mosaicity range explicitly listed.
It is probably not suitable to describe a crystal as having a single mosaicity value because mosaicity may be anisotropic. It should be obvious that a unit cell like 58 x 58 x 150 may have a bigger mosaicity along the 58 directions and a smaller mosaicity along the 150 direction and still have the Bragg reflections spatially separated. Thus, the mosaicity reported/used by diffraction image processing is probably just the best estimate for the mosaicity model used by the algorithm AND the orientation of the crystal in the experiment.
Jim
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From: CCP4 bulletin board [[log in to unmask]] on behalf of Edward A. Berry [[log in to unmask]]
Sent: Friday, May 16, 2014 11:45 AM
To: [log in to unmask]
Subject: Re: [ccp4bb] report mosaicity
If you "refine crystal mosaicity" (I assume there is a way to do that in the gui)
then scalepack prints out a single value for the crystal (search the logfile for mosaicity)
eab
On 05/16/2014 12:07 PM, hongshi WANG wrote:
> Dear all,
>
> Thanks for all your reply and useful comment on this.
> Harry,
> You are right. I think there are individual mosaicity value corresponding to each image from scalepack.
> Clearly, we can get either average or range for report.
>
> best,
> Hongshi
>
>
> On Fri, May 16, 2014 at 2:26 AM, Harry Powell <[log in to unmask] <mailto:[log in to unmask]>>
> wrote:
>
> Hi
>
> I'm sure that a real HKL or Denzo/Scalepack expert will correct me, but my recollection is that you
> don't use any of the values from Denzo, but the value from Scalepack (see
> http://www.hkl-xray.com/sites/default/files/HKL2000manual/chapter3/step14-1.htm, for example).
>
>
> On 16 May 2014, at 00:26, hongshi WANG wrote:
>
>> Hello everyone,
>>
>> I am gonna report the mosaicity of my data set as required by the journal. I processed the data
>> using HKL2000. So I checked the denzo log file. I found many different mosaicity values. The first
>> one is default input (0.3), the rest are corresponding to specific images. I think the mosaicity
>> value required should be an overall value or averaged value. Could you please let me know how I can
>> get it. Or some other software can determine it.
>> I really appreciate your help and response!
>>
>> Hongshi
>
> Harry
> --
> ** note change of address **
> Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical
> Campus, Cambridge CB2 0QH
> Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)
>
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