I think Phil Evans has been trying to get this implemented for many years. As already mentioned, errors in cell dimensions are not part of the data model for MTZ files (although I think there probably is space in the header where they could be stored). Mosflm does give error estimates for the cell parameters if the "Refine cell" option is used (but not for the cell determined by indexing), but these are not currently saved to the MTZ file.
For my own part, this is simply because there has not been any real pressure from users to include this information, and there are always many other things to be done!
Cheers,
Andrew
On 26 Jul 2016, at 16:07, Graeme Winter <[log in to unmask]> wrote:
> Dear CCP4BB
>
> Does anyone know why we don't quote standard uncertainties on unit cell constants in the way that the small molecule community do? It would seem in the new world of multi-crystal data sets and serial crystallography some idea of the measure of ignorance would be particularly valuable.
>
> I'm not worried about whether they are "right" or "true" just interested in why we don't quote them...
>
> An example for thaumatin may look like this, for example:
>
> Unit cell (with estimated std devs):
> 57.7841(1) 57.7841(1) 149.9963(3)
> 90.0000(0) 90.0000(0) 90.0000(0)
>
> (in other news, there is no place to store this information in an MTZ file...)
>
> Thanks & best wishes Graeme
>
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