Dear Jordi,
for XDS/XSCALE users, there is XDSCC12 (see
https://wiki.uni-konstanz.de/xds/index.php/Xdscc12 ).
It is integrated in XDSGUI (statistics tab) where it shows, for a single
XDS_ASCII.HKL, how much batches of the run contribute towards CC1/2 of the
dataset, i.e. what there delta-CC1/2
I second martin’s suggestion..
it is not essential but it is sensible to give the lively best as the first
entry then the other sets are scaled and indexed to match it..
I use ccp4i2 for this . You will get quite a voluminous report which is
very helpful
Good luck Eleanor
On Fri, 21 Jun 2024 at
Dear Jordi,
For this purpose, I would use AIMLESS (you can specify a list of
unmerged data sets) or xia2.multiplex. Output log files should indicate
which data sets or images to discard - then the merging can be re-run
without them.
Best regards,
Martin
On 21/06/2024 16:15, Jordi Benach wro
