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:[log in to unmask]]
> Sent: Monday, October 31, 2011 1:51 AM
> To: Masaki UNNO
> Cc: [log in to unmask]
> 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: [log in to unmask]
> >
> > HP: http://www.fas.ibaraki.ac.jp/?page_id=961
> >
> >
> >
> > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
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