If you don't put INSCALE OFF, the scales will be applied a second
time & you will get (much) worse data
I didn't know anyone was doing this
You should get the same statistics (Rmerge etc) if you reinput an
OUTPUT UNMERGED file with ONLYMERGE; INSCALE OFF
I'll look into how complicated it would be to write both files (but
if you have eg multi-wavelength you might get a lot of files out :-( )
Phil
On 20 Nov 2007, at 15:44, Frank von Delft wrote:
Does it make a big difference if you *don't* have "INSCALE OFF"? I
just notice I've been doing it for years.
I use OUTPUT UNMERGED as well in my standard scaling script, in
which I run two scalas in sequence: the first writes out the
unmerged data and scales, the second only merges. The purpose is
to have both unmerged and merged data after I've scaled, the former
for xprep, pointless etc, the latter for sharp, refinement, etc.
If scala could dump out both versions I wouldn't bother either.
phx.
Clemens Vonrhein wrote:
Hi Graeme,
even with these options (ONLYMERGE and SCALES CONSTANT) you will have
the SCALE column applied again to the intensities (not good) - at
least that's how I understood Phil. You need to use
ONLYMERGE
INSCALE OFF
to use the already scaled intensities and avoid applying the SCALE
column again - Phil was the one telling me that. I was scratching my
head for a long time trying to understand those various
INTIAL/ONLYMERGE/INSCALE/NOSCALE options and how they relate to each
other ...
Cheers
Clemens
On Mon, Nov 19, 2007 at 08:07:02PM -0000, Winter, G (Graeme) wrote:
Hi Phil,
I use this option but not these columns. The only time I feed
the file back I use "ONLYMERGE" and "SCALES CONSTANT", to remerge
the reflections.
Cheers,
Graeme
________________________________
From: CCP4 bulletin board on behalf of Phil Evans
Sent: Mon 19/11/2007 5:07 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Unmerged output from Scala
Is anyone using the OUTPUT UNMERGED option in Scala?
This file contains columns called SCALE & SIGSCALE which are the
applied scale and its SD
I propose to change the names of these columns so that if you
put the file back into Scala the scales do not get re-applied by
default (which is wrong since they have been applied already)
Will this cause anyone problems? I suspect that very few people
or programs are using this file
Phil Evans
