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Re: [ccp4bb]: Reindex



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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
 >