Dear colleagues
We obtained the trigonal crystals (s.g. R3 or R32). We processed X-ray intensity data using HKL2000, which chose the hexagonal axes (a=b; alpha=beta=90, gamma=120). Then we tried converting the data to mtz using scalepack2mtz, but received an error message. LW: severe warning - specified symmetry not consistent with cell dimensions! SCALEPACK2MTZ: Error in space group or cell dimensions. So we could not convert the data. My questions are Does scalepack2mtz accept only "rhombohedral axes" for the trigonal crystal system? Why is it(if yes)? Do we have to reindex the intensity data? Best regards ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Masaki UNNO, Ph.D. Frotier Research Center for Applied Atomic Sciences, Ibaraki University Ibaraki Quantum Beam Research Center 162-1 Shirakata, Tokai, Naka, Ibaraki 319-1106, Japan Tel: 029-352-3239, Fax: 029-287-7872 E-mail: unn...@mx.ibaraki.ac.jp HP: http://www.fas.ibaraki.ac.jp/?page_id=961 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
