Dear Niu,
OK, I did not connect this with your earlier Email. If it is
simply a case of halving one of the cell dimensions, this can be done with
iMosflm by editing the cell dimensions that come from the indexing step. This
will not affect the positions of the predictions, but only every second spot
will be predicted along the cell edge that has been halved. It should be
perfectly possible to carry out the integration this way.
I would be surprised if it wasn't possible to do this with other programs.
Best wishes,
Andrew
On 18 Nov 2013, at 22:03, Niu Tou <niutou2...@gmail.com> wrote:
> Dear Andrew,
>
> As previously I posted a MR case which has a significant 95% off origin peak,
> some experts suggested to reprocess the data with cutting one axis to half,
> from 40A to 20A. I tried HKL2000 and XDS, none of them is willing to give a
> solution with 20A, even I specify it in XDS script. So I wonder is there any
> way to force this work to be done. Thanks!
>
> Best,
> Niu
>
>
> On Mon, Nov 18, 2013 at 4:56 PM, Andrew Leslie <and...@mrc-lmb.cam.ac.uk>
> wrote:
> Dear Niu,
>
> It depends on which part of processing you are referring to,
> i.e. the indexing step or the integration step. In MOSFLM there is no way to
> enforce cell dimensions during indexing, but providing there is an indexing
> solution that has cell dimensions close to the ones you want, you can enforce
> a (slightly) different set of cell dimensions during the integration step.
> Normally other refined parameters will ensure that you still get a good
> prediction of spot positions.
>
> I suspect that this can be done in other programs too.
>
> Without knowing why you want to do this, I cannot comment on whether this is
> the best procedure to follow.
>
> Best wishes,
>
> Andrew
>
>
>
> On 18 Nov 2013, at 21:48, Niu Tou <niutou2...@gmail.com> wrote:
>
> > Dear All,
> >
> > Does any one know how to strictly fix the cell dimensions during data
> > processing? In HKL2000 there is only a keyword to define the longest
> > vector. In XDS there is a option to input cell parameters, but sometimes
> > the program would not follow the input values
> > and switch back to the one it thinks best. Any suggestions will be
> > appreciated. Thanks!
> >
> > Best,
> > Niu
>
>
