Merging with CAD fails

From: Yuri Pompeu


Hello,
I am trying to merge two data sets on from 28 to 2.3 A 99% comlpeteness
with another one from 26 to 1.95A 82% completeness.
I keep getting an error saying Duplicate labels in the output file.
I am sure its something simple but I cannot seem to figure it out
Any ideas?
Thanks

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From: Ed Pozharski


If you post the cad input file, it should be easy to pinpoint the
problem.  As  it stands, you are either:

1) Including Miller indices as merged columns - they get done
automatically, so if you specify them, you get the duplicate labels
2) You actually do have the same name for the two columns in the output
- thus duplicate labels
3) You may be thinking that cad can merge two datasets into one - it
can't.  CAD just takes columns from two or more files and puts them into
one.  What you are trying to do requires scaling/merging of two datasets
- you should look at scala for that.

HTH,

Ed.


--
Hurry up, before we all come back to our senses!
                         Julian, King of Lemurs

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From: Yuri


Thanks for the help.
I believe option 3 describes my situation the best.
I am looking into it now...
Best,
Yuri

Yuri Pompeu

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From: Harry

Hi

You can use Pointless to merge the files together into one mtz file - then take the output mtz from Pointless and run it through Scala (though its replacement program Aimless is faster and seems to do a better job, and is available directly from Phil Evans' ftp site).

I think the original problem arises from having reflection columns with the same label in each of  the two original mtz files - I think Pointless takes care of this for you (but it is a Saturday night...).

Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH