Thank you very much everyone who advised me. I could successfully make a mtz file by specifying the space group as H3 (or H32).
Thank you. Masaki UNNO > -----Original Message----- > From: Eleanor Dodson [mailto:[email protected]] > Sent: Monday, October 31, 2011 1:51 AM > To: Masaki UNNO > Cc: [email protected] > Subject: Re: [ccp4bb] scalepack2mtz for trigonal crystal > > No need to reindex - just change the space group name at the top of the > sca file to H3 > > The program should do that itself but apparently it doesnt! > > Eleanor > > On 10/28/2011 09:50 AM, Masaki UNNO wrote: > > > > > > 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: [email protected] > > > > HP: http://www.fas.ibaraki.ac.jp/?page_id=961 > > > > > > > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > > > > > > > > > > > > > > > > > > > > > > > >
