Charles,
your posting does not provide enough detail to base advice on.
First of all, it's a warning and probably there is no reason to worry - but one has to look at the .LP files to be sure.
Second, it is not clear whether the warning is printed by IDXREF or by INTEGRATE.
If it's IDXREF and you use
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE
then just try a different (preferrably larger) SPOT_RANGE (of course re-run COLSPOT).
If it's INTEGRATE that prints the warning then you should probably use
REFINE(INTEGRATE)=DISTANCE BEAM ORIENTATION ! AXIS CELL
if you don't do it like that already (one should use this in any case, and generate_XDS.INP sets it up like this).
There is of course the possibility that something is wrong with your data (e.g. beam dump or dying crystal), starting at a specific frame. In such a case INTEGRATE may also print this kind of warning, but it should be obvious from the other output in INTEGRATE.LP what's going on.
I suggest to use XDSGUI because the graphics give you a fast way to spot problems.
HTH,
Kay
On Thu, 18 Sep 2014 16:44:28 -0400, CPMAS Chen <[log in to unmask]> wrote:
>Hi, there,
>
>I saw some warning info during XDS data processing,
>
>!!! WARNING !!! REFINEMENT DID NOT CONVERGE
> LAST CORRECTION SHIFT WAS 6.1E-02 (should be < 1.0E-03)
>
>
>I have tries the suggested method,
>
>REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE
>
>This warning is still there.
>
>Are there other options I can try to make this converge?
>
>Thanks!
>
>Charles
>
>
>
>
>--
>
>***************************************************
>
>Charles Chen
>
>Research Associate
>
>University of Pittsburgh School of Medicine
>
>Department of Anesthesiology
>
>******************************************************
>
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