Thanks Tim, Phil and Andrew for your answers.
Just one further related question:
Why is it that mosflm seems to report higher completeness than XDS on
the same data (I've seen this on about 50 datasets)? I always thought
it was due to mosflms peak extrapolation but it seems this isn't the
answer if SCALA throws those reflections out.
Thanks,
Simon
On 7 Jun 2010, at 15:35, Phil Evans wrote:
Mosflm integrates them (profile-fitted overloads) but flags them.
Pointless uses them for systematic absence tests. Scala by default
ignores them, but you can include them if you want: this is not
normally recommended since they are pretty inaccurate (look in the
"Excluded data" tab of ccp4i/Scala)
If you are merging strong & weak datasets it should do the right
thing, I think.
Phil
On 7 Jun 2010, at 15:09, Simon Kolstoe wrote:
Dear CCP4bb,
I was wondering if someone could tell me how mosflm and scala deal
with overloaded reflections. From my understanding mosflm
extrapolates the overloaded peaks but then scala throws them out
completely - is this right?
If so am I right to not worry about "contamination" from
extrapolated peaks when combining high and low resolution datasets
from the same crystal?
Thanks
Simon
