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 [email protected] 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@brukermailto:Holger.Ott@bruker.com www.bruker.comhttp://www.bruker.com/

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-----Ursprüngliche Nachricht----- Von: [email protected] [mailto:[email protected]] Gesendet: Sonntag, 28. Juli 2019 18:25 An: [email protected]; [email protected]; [email protected] 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 [email protected]mailto:[email protected]

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

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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

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