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Since this is a change in cell convention from an acute monoclinic to an obtuse monoclinic indexing, I suspect that more than a change in the mtz header is required. The reciprocal lattice needs to be reindexed. Will pointless perform this task? Dale Tronrud On 06/08/11 08:10, Vellieux Frederic wrote: > Zhiyi Wei wrote: >> Dear all, >> >> I have a P2 derivative dataset with beta=89.6. I try to change the >> beta to 90.4 to be consistent with the native dataset. Should I do sth >> with the HKL, like applying a matrix? Thanks a million! >> >> Best, >> Zhiyi >> >> >> > Hi, > > Personally I would use sftools (no ccp4i GUI), to be run in a terminal > sftools > read mymtz.mtz > set cell > > [then you specify the new cell] > > write mynewmtz.mtz > stop > > However, before changing cell parameters I would think twice... Further, > each data set in an mtz file can have its own cell dimensions. > Differences in unit cell parameters of less that 1% (I think this is the > consensus) are still isomorphous, over this you have non-isomorphism. > There is a paper on this (Crick ?). > > Fred.