Hi
this is what I thought. I would imagine that you'd want to combine the
2D information in the X-ray images in a dataset into a 3D solid
figure, then look at slices through this for the RL projection you
were interested in. If you indexed the dataset first you should be
able to get the right orientations...
I don't know anything that does this for single crystal X-ray work,
but maybe something from cryo EM single particle reconstruction could
be adapted?
On 5 May 2010, at 17:10, Phil Evans wrote:
I think he's looking for a program which will extract a plane from
the raw 3D reciprocal space, as sampled by the raw images (ie before
integration, but with the plane defined by the indexed lattice).
That's a much harder job
Phil
On 5 May 2010, at 16:50, Tim Gruene wrote:
Hi Tillmann,
what do you mean by 'raw intensities' as opposed to integrated data?
Would xprep be an option for you? It reads XDS_ASCII.HKL, but
that's of course
after integration.
But it should be easy to convert any (non-binary) file containing raw
intensities into an hkl-file that you can read with xprep!?
rlatt might be another program you are looking for.
Tim
On Wed, May 05, 2010 at 03:33:40PM +0200, Tillmann Heinisch wrote:
to my knowledge hklview just works with integrated data whereas I
need to plot raw intensities along h, k and l to investigate
reflection streakings. I heard such software is routinely used in
small molecule crystallography.
Tillmann
On May 5, 2010, at 3:18 PM, David Briggs wrote:
Hi Tillmann
Will the CCP4 program HKLview do what you want?
http://www.ccp4.ac.uk/html/hklview.html
Cheers,
Dave
============================
David C. Briggs PhD
Father, Structural Biologist and Sceptic
============================
University of Manchester E-mail:
david.c.bri...@manchester.ac.uk
============================
http://xtaldave.wordpress.com/ (sensible)
http://xtaldave.posterous.com/ (less sensible)
Twitter: @xtaldave
Skype: DocDCB
============================
On 5 May 2010 14:03, Tillmann Heinisch
<tillmann.heini...@unibas.ch> wrote:
Hi,
I have problems solving the structure of a protein crystal which
seems to be disordered. In order to investigate the disorder it
would be useful to have a precision photograph that shows
reflections only in the [0kl] plane. Does anyone know software
that can transform raw data to give intensity distribution in
distinct zones of hkl?
Many Thanks for your help,
Tillmann
--
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre,
Hills Road, Cambridge, CB2 0QH
