On Sun, Nov 06, 2011 at 05:35:29AM +, Ramanuj Banerjee wrote:
I used CAD for merging datasets during MIR. I faced the same problem. The
solution is: the datasets you are trying to merge should have different
labels i.e if dataset 1 has labels: F and SigF, dataset 2 should be F_d1 and
SigF_d1. Mention the labels during the cad run.
That might make life easier - but a simple
cad hklin1 one.mtz hklin2 two.mtz hklout onetwo.mtz e
LABI FILE 1 E1=F E2=SIGF
LABO FILE 1 E1=F1 E2=SIGF1
LABI FILE 2 E1=F E2=SIGF
LABO FILE 2 E1=F2 E2=SIGF2
e
can do something similar. That is for 'merging' two MTZ files
(ie. gluing together columns), not merging two datasets into one (see
pointless/scala answers).
You can also do
cad hklin1 one.mtz hklout one_tmp.mtz e
LABI FILE 1 E1=FE2=SIGF
LABO FILE 1 E1=Fcmb E2=SIGFcmb
cad hklin1 two.mtz hklout two_tmp.mtz e
LABI FILE 1 E1=FE2=SIGF
LABO FILE 1 E1=Fcmb E2=SIGFcmb
e
mtzutils hklin1 one_tmp.mtz hklin2 two_tmp.mtz hklout onetwo.mtz e
UNIQ
e
which will fill up missing data in one file with the data present in
another MTZ file.
There's not a lot one can't achieve with those low-level utilities in
CCP4, but be careful of the order of doing things (both in CAD and
MTZUTILS), sorting issues etc. it can be very educational to have a
look at the input files and the output file with
% mtzdmp some.mtz -n -1 some.mtzdmp
to check it does exactly what you want to do.
Cheers
Clemens
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