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more CIF items to include...
- To: imgcif-l@bnl.gov
- Subject: more CIF items to include...
- From: Harry Powell <harry@mrc-lmb.cam.ac.uk>
- Date: Mon, 11 Sep 2000 12:38:38 +0100 (BST)
HI folks I've been working on including CBF format files as an image type supported by MOSFLM. I noticed that the example programs build okay on Compaq Alphas under Tru64 Unix and the Compaq compiler, and also using gcc on my Pismo running LinuxPPC (despite some compiler warnings in each case, the programs run as intended). At the moment, my current development copy of MOSFLM reads CBF's from Quantum 4 and Mar345 images, which is good. There are some items missing from the CBF headers which could be derived from the original images, and almost certainly should be included in the CBFs, but I'm assuming that the example progs are there to illustrate the principle rather than anything else. One thing I haven't seen in the imgCIF/CBF dictionary is a suitable data item for the beam polarization - the core CIF item seems to be based on a four-circle diffractometer equipped with a point detector, as the polarization is referenced to "the normal to the diffraction plane of the sample (i.e. the plane containing the incident and reflected beams)." (from http://www.iucr.org/iucr-top/cif/home.html#dics, section on _diffrn_radiation_polarisn_ratio). Would it be more sensible in the case of area detectors to have a definition based on "gravity" (or something more rigorous?). Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH
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