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
Dear Everyone,
Suppose you have three or more datasets and would like to choose the best
combination to merge and produce a higher quality dataset. I have been using
BLEND with mixed results. Additionally, BLEND doesn’t seem to accept datasets
with several runs (i.e., a dataset where several of
Dear Tina,
my guess would be minor oxidation of the cysteine. The green positive
difference density suggests a bound atom in three different positions; this
could however just be the first atom of something bigger like
beta-mercaptoethanol, with the rest of that molecule too disordered to see.
Dear All,
At EMBL-EBI, we are recruiting Group Leaders (Faculty members), with a closing
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EMBL-EBI, based near Cambridge, is a European Centre for Computational Biology.
Our res
