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PostPosted: 2017.09.20 16:03 
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Joined: 2012.06.05 16:46
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Dear ATSAS team,
I am trying to calculate many SANS profiles from pdb to combine them using multifoxs, which need .fit files of 3 columns. If I use the windows Graphical interface, I do have a 3-column .fit file, but I treat pdb files one by one... If I use the command-line version (windows or linux), the resulting .fit files are 4-columns. What is this 4th column? What should I do to get the 3-column .fit files from a long list of pdb files?
Thanks a lot.
Anne


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PostPosted: 2017.09.21 14:33 
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Anne M wrote:
If I use the command-line version (windows or linux), the resulting .fit files are 4-columns. What is this 4th column?
The columns are:
    s [1/A]
    Iexperimental(s)
    errexperimental
    Ifit(s)

Anne M wrote:
What should I do to get the 3-column .fit files from a long list of pdb files?
Please use the "-err=N" option to exclude the experimental errors from the fit file.


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PostPosted: 2017.09.21 15:33 
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Perfect, thank you very much Al.

Anne


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