[phenixbb] [bruker-axs] cbf to sfrm

Tim Gruene tim.gruene at univie.ac.at
Thu Aug 29 03:52:46 PDT 2019


Dear Holger,

thanks a lot for the prompt reaction! This will be very useful, in particular 
in case of proper twins.

I look forward to the update,

Tim

On Thursday, August 29, 2019 11:32:00 AM CEST bruker-axs at lists.wisc.edu wrote:
> Dear Tim,
> 
> 
> 
> Thanks for having brought the bug to our attention. It got fixed in the
> PROTEUM3/APEX3 2019.1 version which will be available for download next
> week.
> 
> 
> 
> Cheers,
> Holger
> 
> 
>     Dr. Holger Ott
>     Global Application Coordinator SC-XRD & Senior Application Scientist
> Chemical Crystallography
> 
>     Bruker AXS GmbH
>     Oestliche Rheinbrueckenstr. 49
>     76187 Karlsruhe, Germany
> 
>  Phone: +49 721 50997-5628
>  Fax:     +49 721 50997-45628
> 
>   Holger.Ott at bruker<mailto:Holger.Ott at bruker>.com
>   www.bruker.com<http://www.bruker.com/>
> 
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> 
> 
> 
> 
> -----Ursprüngliche Nachricht-----
> Von: bruker-axs at lists.wisc.edu [mailto:bruker-axs at lists.wisc.edu]
> Gesendet: Sonntag, 28. Juli 2019 18:25
> An: bruker-axs at lists.wisc.edu; ccp4bb at jiscmail.ac.uk;
> phenixbb at phenix-online.org Betreff: [bruker-axs] cbf to sfrm
> 
> 
> 
> Dear all,
> 
> 
> 
> recently the conversion from CBF to SFRM frame format with APEX was
> discussed on the Bruker mailing list ("Synchrotron data with Bruker
> Software"), including a potential bug that parameters in the frames other
> than the first frame are not set correctly. The workaround to re-convert
> from SFRM to SFRM a second time did not help in my case.
> 
> 
> 
> I therefore updated my program sfrmtools, available at https://
> homepage.univie.ac.at/tim.gruene/research/programs/conv/sfrmtools/
> 
> 
> 
> With the option '-u',you can provide the first frame of the run, and via
> '-p'
> 
> a parameter file that contains the critical parameters (see documentation at
> above URL) to update the header for all frames in this run. In case you
> have twinned data and want to benefit from SAINT, this should be possible
> with this feature.
> 
> 
> 
> Both 64bit Linux binary and the source code are available. The program has
> no dependencies and should compile under any platform.
> 
> 
> 
> I did not debug this new feature very thoroughly, but it worked for me so
> far.
> 
> Any bug reports are welcome to this address
> tim.gruene at univie.ac.at<mailto:tim.gruene at univie.ac.at>
> 
> 
> 
> I hope this is helpful for one or two users.
> 
> 
> 
> I acknowledge the thorough documentation of XDS, of SAINT, and of the SFRM
> header format.
> 
> 
> 
> Kind regards,
> 
> Tim
> 
> 
> 
> cc Bruker mailing list, CCP4BB, phenixBB
> 
> --
> 
> --
> 
> Tim Gruene
> 
> Head of the Centre for X-ray Structure Analysis Faculty of Chemistry
> University of Vienna
> 
> 
> 
> Phone: +43-1-4277-70202
> 
> 
> 
> GPG Key ID = A46BEE1A

-- 
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Phone: +43-1-4277-70202

GPG Key ID = A46BEE1A
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