As Phil says, constructing an undistorted slice through reciprocal space is much harder than displaying integrated intensities. The Bruker APEX2 software does this nicely and I understand that they can also convert MAR CCD and possibly some other frame formats to Bruker format, which presumably would be necessary to apply it to your data. Although intended for - and widely used by - small molecule crystallographers this should work equally well for macromolecules.
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Wed, 5 May 2010, 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 > > >
