Re: [ccp4bb]: Re-indexing

["Hazes B." <bart@mrc-lmb.cam.ac.uk>]

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Hi Jim,

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.

Bart


On Mon, 13 Mar 2000 naismith@st-andrews.ac.uk wrote:

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> Hi 
> 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.
> best
> Jim
> 
> James H. Naismith                | Research mailto:naismith@st-and.ac.uk
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