There is of course nothing stopping you from having both severe
overlap problems and twinning :-(
In this case, XDS-processed data is clearly twinned, if one were to
believe moments and the cumulative intensity distribution calculated
by truncate (and everyone should - channelling Dr. Dodson).
Why I'm worried about XDS separating relatively overlapped spots is
the funny intensity stats that may result from this (as George
Sheldrick and Martin Hallberg has pointed out)? The incomplete
HKL2000-processed data (70%) still has intermediate values for the
intensity stats, leaning towards twinning. This somewhat agrees with
twinning, but not overzealous data integration.
What happens if you play with spot parameters (to increase the number
of reflections identified as overlaps) in Denzo? This will reduce the
completeness even more but might be a worthwhile exercise to figure
out what the problem really is. Can you get cleaner intensity
statistics this way?
Similarly, you can play with the MINPK parameter in XDS (as suggested
by Kay).
Best regards,
Martin
.
B. Martin Hallberg, PhD
Assistant professor
Department of Cell and Molecular Biology
Medical Nobel Institute
Karolinska Institutet
Nobels v. 3
SE-171 77 Stockholm
Sweden
