[ccp4bb] Merging with CAD fails
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
Re: [ccp4bb] Merging with CAD fails
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
Re: [ccp4bb] Merging with CAD fails
Thanks for the help. I believe option 3 describes my situation the best. I am looking into it now... Best, Yuri On Sat, 05 Nov 2011 16:38:11 -0400, Ed Pozharski wrote: 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. -- Yuri Pompeu
Re: [ccp4bb] Merging with CAD fails
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...). On 5 Nov 2011, at 20:41, Yuri wrote: Thanks for the help. I believe option 3 describes my situation the best. I am looking into it now... Best, Yuri On Sat, 05 Nov 2011 16:38:11 -0400, Ed Pozharski wrote: 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. -- Yuri Pompeu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH
