Along similar lines, if you happen to be working in the DIALS ecosystem there
is the dials.damage_analysis program, which takes the scaled data (scaled.expt,
scaled.refl) and computes a number of statistics including Rd as discussed
below, and the cumulative-pairwise R factor Rcp, which measures
Hi
I’ve never actually used it in anger (one should never be angry when processing
data…), but doesn’t AutoProc, developed by the good folks at Global Phasing do
a lot of these analyses? Clemens, Claus etc may have something pertinent to say.
Harry
> On 30 Oct 2023, at 13:23, Jorge Iulek wrot
Dear Jorge,
the plots available from XDSGUI in the "statistics" tab are helpful in this
respect (see https://journals.iucr.org/j/issues/2023/05/00/yr5110/index.html
and in particular Fig 4). In particular, delta-CC1/2 and R_d are sensitive to
radiation damage.
Pls note that sometimes a few ite
Dear Jorge,
If you are using XDS for data processing, XDSCC12 and XDSSTAT (developed
by Kay Diederichs) provide very useful guidance as to where to truncate
your dataset in the rotation dimension. In particular, have a look at
the R_d metric provided by XDSSTAT.
These analyses can also be con
Dear all,
I have found many fundamental studies on image processing and
refinement indexes concerning the decision on cutting resolution for a
dataset, always meant to get better models, the final objective. Paired
refinement has been a procedure mostly indicated.
I have been searching studi
