[sharp-discuss] Problem with residual map analysis

Claus Flensburg claus at globalphasing.com
Thu May 30 15:17:00 CEST 2013

Dear Thomas,

On Thu, May 30, 2013 at 10:53:57AM +0200, Thomas Krey wrote:
> Dear Claus,
> thanks for the answer ! 
> Just to make sure that I understand this correctly - does that mean
> that with this particular space group (P1) and unit cell I will not be
> able to use Sharp at all, because I will run in the same error over
> and over again ?    

no, not necessarily. You can be unlucky to have peaks 'just' in the
wrong place wrt. grids, so ...

> And my second question seems to be obvious - is there any way to get around that problem ?

... do try with a different resolution cutoff. That will change the
grids and possibly also the location of peaks slightly so the problem
does not show up.

Does changing the resolution by 0.01, 0.02 or 0.05 make it run?

With best wishes,

ClAuS & Clemens (for sharp-develop)

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