[phenixbb] Copying mtz file

[Tim Grüne]

Dear Mirek,

it is a stubborn myth the Free-R flags need to be conserved. You can 
simply regenerate a new set of flags. This does not compromise the free 
F-value. This is based on what I would call Tickle's conjecture, even 
though with one of his latest emails on the ccp4bb, where he explained 
this in an extremely beautiful manner, it is not a conjecture anymore, 
rather a corollary.

It is sad that even some well established crystallographers stick to 
said myth.

Best regards,
Tim

cc ccp4bb for information

Am 25.06.2019 04:09, schrieb Cygler, Miroslaw:
> Hi Phenixers,
> I have copied mtz file to a new file with a lower resolution limit
> using the "Reflection file editor” tool. I copied all arrays to the
> output file. When I attempted to continue refinement with the new mtz
> file, a message appears saying that there are no R-free flags in the
> mtz file. Yet, the new file contains the R-free-flags column but the
> values are inverted, 1 is changed to 0 and 0 is changed to 1. In the
> output option dialog the box “Preserve original flag values” was
> checked.
> How to fix this?
> Thanks,
> 
> Mirek
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-- 
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Phone: +43-1-4277-70202

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