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Re: [ccp4bb]: Re-indexing
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I haven't done the calculation, but by eyeballing it seems that the C-axis
in the old cell is the same as the sum of the A- and C-axes in the new
cell. If so you can reindex the old data. I think the matrix should be
( 1 0 -1 ) (H_old) (H-new)
( 0 1 0 ) (K_old) = (K_new)
( 0 0 1 ) (L_old) (L_new)
But better check it yourself.
On Mon, 13 Mar 2000 email@example.com wrote:
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> We recently re-collected a higher resolution data set on a crystal
> The new cell is 111 88 110 beta = 98 vs
> 110 88 145 beta 131.5 for the old cell
> Both cells are P21
> The cells have appoximately the same volume. I have seen this type of
> choice of cell during indexing before and suspect both cells are the same.
> However, straight scaling of the data to each other goes haywire, so does
> transposing hkl to lkh.
> Anyone know how to do this. I don't fancy going back to tape and trying
> to force processing in the 'old' cell.
> James H. Naismith | Research mailto:firstname.lastname@example.org
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