[phenixbb] applying B_factor and scale correction to an MTZ

[Francois Berenger]

Ok, sorry for not having been enough informative then.
My goal is to put 2 MTZ on absolute scale.

Currently, the ones I have are all calculated from some PDBs (using
CCP4's sfall) so they have FC and PHIC (and hopefully are already
on absolute scale).
Maybe soon I will have an MTZ containing experimental data so this
one will only have FP and SIGFP.

I was thinking I should do a wilson plot, then apply to the
corresponding MTZ the B-factor and scale correction that was found.

I don't want to scale one to the other because the calculated one is
always in P1 and in a big unit cell, unlike the real data MTZ.

Regards,
Francois.

Pavel Afonine wrote:
> Hi Francois,
> 
> in PHENIX there are many tools that do this or similar task, internally 
> or exposed to the user-level in some sense (may be not exactly what you 
> ask).
> 
> If you explain what exactly and why you are trying to do then I might be 
> able to suggest a right tool or help with a custom script.
> 
>  From your question it is not clear to me what you mean by "to apply 
> both the scale and overall B-factor correction found by the wilson plot 
> to a given MTZ file". A "given MTZ file" may contain Fobs, Fcalc, or 
> Fourier map coefficients or HL coefficients, or whatever else I or a 
> program decide to store in it.
> 
> Pavel.
> 
> 
> On 4/8/10 8:54 PM, Francois Berenger wrote:
>> Hello,
>>
>> Is there a tool to apply both the scale and overall B-factor
>> correction found by the wilson plot to a given MTZ file?
>>
>> After applying these corrections, is there another way
>> than redoing wilson to check that the output MTZ is
>> on absolute scale?
>>
>> Thanks a lot,
>> Francois.
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