Hi,
I've been running Ample and I'm a bit confused about the input for the
shelxe-beta auto-tracing. The input mtz for Ample has F, SIGF and FreeR and it
appears that Ample converts the structure factor amplitudes to intensities
using mtz2various with the FSQUARED keyword as the log file
Dear Huw,
It looks as though you have correctly diagnosed a problem with AMPLE.
For expansion from borderline partial structures, I recommend the latest
SHELXE (on my beta-test server since Jan. 20th) and experimenting with
the -O and -F switches, e.g.
-F0.9 -O100 -a30
However SHELXE is
Of Huw
Jenkins
Sent: 28 January 2013 10:14
To: ccp4bb
Subject: [ccp4bb] Ample, shelxe-beta and F to I conversion confusion
Hi,
I've been running Ample and I'm a bit confused about the input for the
shelxe-beta auto-tracing. The input mtz for Ample has F, SIGF and FreeR and it
appears that Ample
Correct, shelxe does not use the free -R flags, and works just
as well with the original unmerged unctruncated intensities.
George
Hi Ronan,
On 28 Jan 2013, at 12:18, ronan.kee...@stfc.ac.uk wrote:
Well spotted! We originally gave structure factors to SHELXE in our testing as for most
of
