[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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>
>
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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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