[Imgcif-l] changes in CBF files?

Harry Powell harry at mrc-lmb.cam.ac.uk
Mon Apr 10 15:20:28 BST 2006


Hi Herbert

>    Is it possible that the "cbflib 0.6" that you are using was
> modified from the official release.  I cannot find any place in
> the official release 0.6 versions in which that loop is handled,
> which is why it also is not handled in 0.7.4.

entirely likely; I haven't looked at this at all for several years, so
there may well be several unofficial changes which have been undocumented
and which I have forgotten.

>    I am just now working on finishing the 0.7.5 release, and would be
> happy to add support for more image header parameters in both
> makecbf and in the newer convert_img.  A URL for your test image
> would be helpful, as would a list of the header parameters you want
> me to be sure to recover from the image.

I've put an image at http://www.mrc-lmb.cam.ac.uk/harry/cbf/infl_1_001.img

I can't remember if direct beam co-ordinates were part of the
specification; they would be useful (and are reliable on most synchrotron
beamlines if not at home labs). At present I don't have the code in Mosflm
to use them from CBFs, but it wouldn't take long to make the change.

P.S. I put the patch in for "cbfwrap.c" which you mentioned the other day.

>
>    Regards,
>     Herbert
>
>
>
> At 12:22 PM +0100 4/10/06, Harry Powell wrote:
> >Hi
> >
> >I've just been looking at some CBFs produced by CBFLIB 0.6 and 0.7.4 and
> >noticed some significant differences (these are using "makecbf" on some Q4
> >images from detector SN 403 SSRL).
> >
> >makecbf (cbflib 0.6) writes incorrect values of PHI to the CBF -
> >
> >.img file:
> >PHI=89.000000;
> >OSC_START=89.000000;
> >OSC_RANGE=1.500000;
> >
> >.cbf file:
> >loop_
> >_diffrn_scan_axis.axis_id
> >_diffrn_scan_axis.angle_start
> >_diffrn_scan_axis.angle_range
> >  phi 0.089 1.500
> >
> >The more recent version 0.7.4 doesn't write this loop, so oscillation
> >information is missing from the CBF.
> >
> >Thoughts, anyone?
> >
> >Harry
> >--
> >Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills
> >Road, Cambridge, CB2 2QH
> >
> >
> >_______________________________________________
> >imgcif-l mailing list
> >imgcif-l at iucr.org
> >http://scripts.iucr.org/mailman/listinfo/imgcif-l
>
>
> --
> =====================================================
>   Herbert J. Bernstein, Professor of Computer Science
>     Dowling College, Kramer Science Center, KSC 121
>          Idle Hour Blvd, Oakdale, NY, 11769
>
>                Office:  +1-631-244-3035
>             Lab (KSC 020): +1-631-244-3451
>                   yaya at dowling.edu
> =====================================================
>

Harry
-- 
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills
Road, Cambridge, CB2 2QH





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