[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ccp4bb]: Reindex
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
The best way to do any of these reindexing in CCP4 is to go back to
the unmenrged data (Mosflm output) & reindex that file with the
"reindex" program. That will recalculate the cell for you
Phil
> Marian Szebenyi wrote:
> > It is true that there are several possible matrices to convert C2 into
> > P1. However, I don't think the one you give is one of them, unless I am
> > misreading it. Even if the matrix you use is not the one that gives the
> > most "standardized" P1 cell, a valid matrix should give **A** valid P1
> > cell, and the resolution should not change. I suggest applying the
> > following matrix in reindex:
> >
> > 1/2 -1/2 0
> > 1/2 1/2 0
> > 0 0 1,
> >
> > i.e. h(P1) = 0.5*h(C2)-0.5*k(C2), k(P1) = 0.5*h(C2)+0.5*k(C2), l(P1) =
> > l(C2)
> >
> > Marian Szebenyi
>
> Just remember that you also need to recalculate the new unit cell
> dimensions!
>
> Bart
>