Re: [ccp4bb] mosflm / scala / cad question

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CCP4bb <-- 2007 <-- March 2007 <-- 08 March 2007

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Subject: Re: mosflm / scala / cad question
From: Peter Adrian Meyer pam52 {- at -} CORNELL {- dot -} EDU
Date: 2007-03-08

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Subject: Re: mosflm / scala / cad question
From: Jens T Kaiser kaiser {- at -} CALTECH {- dot -} EDU
Date: 2007-03-08

You have to sort the mosflm files together. i.e in
ccp4i>datareduction>sort/modify/combine you add both mtz files (with help of
[add file] button. then you scale them in two runs in scala (run 1 1 to 36 run 2
38 to 180, in case that's not obvious).
ccp4 uses (unfortunately) 'merging' in several meanings. one is the
'crystallographic' meaning, approximately "reducing the data to one entry per
reflection" the other is the everyday meaning "throw this stuff together". so
merging of data is not the same thing as merging of data files....

cheers,

jens

Dan Toogood wrote:
> Dear all,
>
> I am currently working on processing a data set with mosflm and scala
> and I'm running into a bit of difficulty. When running MOSFLM the
> program crashes at image 37, but if I integrate from 1-36 and 38-180
> then everything is fine. I attempted to merge them with CAD 'before'
> scaling but not much to my surprise this didn't work.
>
> error message - "input file is unmerged MTZ file" ...to which I
> thought.....I know it is, I asked you to merge it.....
>
> After scaling them separately I went to then merge these two portions
> together, which I attempted with CAD again, however the program quickly
> fails with the error message "CAD: duplicate column labels in output
> files, columns 3 and 19 both have the label FreeR_flag"
>
> so I attempted to scale without using the flag and got a similar
> message.......with F_apo being the duplicate this time around.......and
> I tried a few other things with selecting and altering the input columns
> etc.
>
> Anyways,
>
> I've tried everything I can think of and was wondering if anyone has any
> suggestions as how to overcome these errors.
>
> I'd appreciate any responses,
>
> Cheers,
>
> R. Daniel Toogood
> MSc. Candidate (2007)
> University of Saskatchewan
> Canada
>
>
>

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CCP4bb <-- 2007 <-- March 2007 <-- 08 March 2007

Previous message:
Subject: Re: mosflm / scala / cad question
From: Peter Adrian Meyer pam52 {- at -} CORNELL {- dot -} EDU
Date: 2007-03-08

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