Yarrow,
as far as I know, scalepack, scalepackvirus and the other variants only
differ by their respective array sizes (Someone from Wladek's or ZO's
lab may be more suitable to comment on this). The rejections in the log
file are controlled by the parameters 'write rejection file xxx' and
'rejection probability'. You may want to read up on those in the manual.
I believe that historically the way it was supposed to work is that
rejection candidates are written to the log file for examination and
then in subsequent rounds are written to the 'reject' file. The latter
is determined by the 'write rejection file' parameter.
No, scalepack does not output the rmeas or rpim values. I have some
recollection that Manfred Weiss at EMBL wrote a program which could
analyze scalepack data written with 'no merge original index' to yield
those parameters, you may want to look into this. The name of the
fortran source is 'rmerge.f'. Unfortunately the link to the original
source repository is dead, but I have a copy around, which I could
share.
Another way would be to go the route of scalepack unmerged data ->
pointless -> scala, although I have never tried that myself.
Good luck
Carsten
-----Original Message-----
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of
Yarrow Madrona
Sent: Tuesday, December 06, 2011 11:04 AM
To: [email protected]
Subject: [ccp4bb] scalepackvirus rejections and Rrin
Hello,
I am using scalepackvirus and I noticed that the rejection list grows
but
does not disappear in later rounds of scaling from the log file as in
scalepack. I am assuming that the rejections are treated the same way as
in scalepack but for some reason are not removed from the log file.
Does
anyone know if this is correct?
Also I wondered if there is any way to get a redundancy dependent R
value
from scalepack. Thank you.
-Yarrow
--
Yarrow Madrona
Graduate Student
Molecular Biology and Biochemistry Dept.
University of California, Irvine
Natural Sciences I, Rm 2403
Irvine, CA 92697
