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Re: [ccp4bb]: Re-indexing
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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
> Centre for Biomolecular Sciences | Teaching mailto:jhn@st-and.ac.uk
> BMS Laboratories | Office: 1334-463792 (24 hr)
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Dear Jim - look at your hklview plots of the hol h1l sections and align
them visually..
I think you will find that reindexing the old cell h -l , k, l should
work..
or maybe you need a change of sign..
Anyway you can work it out from the plots.
Renewrocal lattice vector and Length: 1 0 0 0.009098
Reoldrocal lattice vector and Length: 1 0 -1 0.009165
Renewrocal lattice vector and Length: 0 0 1 0.009180
Renewrocal lattice vector and Length: 0 0 -1 0.009180
Reoldrocal lattice vector and Length: 0 0 1 0.009208
Reoldrocal lattice vectors and Lengths: 1 0 -1 0.00917 0 0
1 0.00921 ANGLE: 97.30
Renewrocal lattice vectors and Lengths: 1 0 0 0.00910 0 0
1 0.00918 ANGLE: 82.00
You need the new version of axissearch, which for some reason does not
sem to be part of the release!
Mea culpa I guess..
( The new and old additions to the key wpords is my contribution!)
Eleanor
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Eleanor J.Dodson, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 44 49, work: +44 (1904) 43 25 65
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