Hi Simon,
I've put my answer into the XDSwiki article "FAQ"
<http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/FAQ#why_do_the_latest_XDS.2FXSCALE_versions_only_give_a_single_table.2C_with_I.2Fsigma.3E.3D-3_cutoff.3F>
because I was asked this privately a couple of times, after this was
changed for the May 2010 version.
In short, the table describes the data that are written out by
XDS/XSCALE, and giving more than one table obscures this fact and tends
to confuse users ("which table should I use?" - "the -3 sigma cutoff
table" - "then why are there the others?").
Others have already mentioned in this thread that SCALEPACK uses the
same cutoff of -3 sigma. I'm not sure about the cutoff in MOSFLM/SCALA.
I do realize now that some people have been using the tables for
deciding on a suitable resolution cutoff. With a bit of scripting, this
can be overcome - pls ask me by email.
hope that helps,
Kay
Am 08.02.2011 20:58, schrieb Simon Kolstoe:
Dear ccp4bb,
I am quite a fan of XDS and have just upgraded to the latest version.
Normally, to assess the quality of my data, I look at the tables in
CORRECT.LP and especially the table "SUBSET OF INTENSITY DATA WITH
SIGNAL/NOISE >= 0.0 AS FUNCTION OF RESOLUTION".
However in my latest run I only get a single table for all the data
i.e. for signal/noise >= -3.0. Is there a command I can put in my
XDS.INP that will give me all the other tables or has the CORRECT.LP
logfile been altered in the most recent version of XDS?
(FYI my xds.inp obtained from the ESRF last week is copied below)
Thanks,
Simon
