PS Meant to say, I am aware the GUI doesn't give you the option to specify I for SHELX. Will fix in due course (meanwhile Run&View Com)
m On Tue, 2007-03-06 at 13:43 +0000, Martyn Winn wrote: > Hi Ian, > > Thanks for your helpful analysis. There are now updated versions of the > source code and the documentation at: > > ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/patches/mtz2various-r1_130.f > ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/patches/mtz2various-r1_39.html > > or via the Problems Pages. In particular: > > 1. The foo.ins stub at the top of the output has been removed, as have > the additional "FREE"s. > > 2. The automatic scaling that was used for the FSQUARED option has been > extended to the I option. This can be overridden by the SCALe keyword. > > 3. The option "LABIN I=I SIGI=SIGI" does in fact write out the > intensities, and can be used instead of the FSQUARED option. The output > was mis-labelled "HKLF 3" and I've corrected that. > > 4. Some tidying of the documentation. > > Cheers > Martyn >
