It's hard to know exactly what is going on without the files. I suspect
some problem in converting shelx files to mtz.
The very latest Pointless (from 1.4.1, now 1.4.4) will convert ShelX
input files, and work better
(from our ftp site
On Tue, 2009-11-17 at 17:48 +0100, Michele Lunelli wrote:
> I am doing SAD phasing with the latest autoSHARP and CCP4 6.1.1 (SCALA version 3.3.9). The space
> group is P21 with unit cell dimension 52.67, 28.61 and 105.16. If I give the data as unmerged SHELX
> file, it happens that the third cell dimension become identical to the first when the data are
> merged using SCALA. I put the whole log file as attachment. Is this a bug or am I doing something wrong?