I think your crystallographic colleague is misled.
SCALEIT simply scals two or more sets of ampiltudes to the chosen one. (
labelled FPH1 FPH2 etc scaled to FP..)
It knows nothing of the contents of the asymmetric unit..
truncate uses the number of residues in the asymmetric unitr to assign a
rough scale to the amplitudes - in that case if you estimated there were
2 molecules per asymm unit and there were actually three it would not be
correct.
Eleanor
Francois Berenger wrote:
Graeme Winter wrote:
Hi Francois,
SCALEIT in CCP4 sounds like the tool you want - this is for scaling
e.g. native and derivitive data sets together. You will need to cad
together the two files first though.
My crystallographer colleague tells me that if we use
scaleit there is a risk if there are multiple copies in the ASU.
So, we should scale both data sets to absolute scale.
This is illustrated in the tutorials here:
http://www.ccp4.ac.uk/dist/examples/tutorial/html/heavy-tutorial-mad.html#step_4a
Best wishes,
Graeme
On 12 March 2010 08:17, Francois Berenger <[email protected]> wrote:
Hello,
Is there a magic tool doing the job of scaling 2 MTZ to the same scale?
For the moment I know with ccp4:
rwcontents then wilson then mtzutils
with phenix:
lsq_scale (in fact I am lying, I was forced to run ccp4's cad before)
Is there a simpler way with ccp4?
As I am not a crystallographer, I am afraid I can do many
different stupid errors when I have to use many tools for just
one task.
Regards,
Francois.
