[Ifeffit] SRS data

Matt Newville newville at cars.uchicago.edu
Thu Nov 17 09:58:27 CST 2011

Hi Michael,

On Thu, Nov 17, 2011 at 5:17 AM, Michael Stockenhuber
<Michael.Stockenhuber at newcastle.edu.au> wrote:
> Dear all,
> Thank you very much to the developers for this great software. I have a problem with some old SRS station 3.4 data. I cannot read in original data with athena. I enclose a data file  r48683.dat )( Al K- edge). I have installed DUBBLE, but still does not want to read it.
> I also would like to read in data from station 9.3. This is fluorescence data with a 13 element detector and also includes E0 and E1 and I think Em.
> I enclose a data file, r94731.dat ( Cu K-edge). Any help would be greatly appreciated.
> DUBBLE.py reads in station 7.1 data. I enclose a datafile (r66946.dat).
> All the best and thank you for the help
> Michael

OK, there are a few separate formatting issues here.
    First, these files end with a line reading "END OF DATA", which
ifeffit doesn't like, but which it can ignore.

    Second, two of the files (r94731.dat and r66946.dat) do not have
data arranged so that one line is one energy point, and they have an
inconsistent number of columns per line.   Ifeffit usually considers
line breaks to be significant.

    Third, one of the files (r48683.dat) has two lines with '----'
starting after a comment character -- ifeffit takes such a line
to signify the end of the header.

Athena allows file-reading plugins to be written in perl -- I think
you'll probably want to consult with Bruce about writing (or having
one of these written for these files).    Alternatively, you could
write a program to convert these files to ones that make  ifeffit's
limited read_ascii() routine happy.  Perhaps DUBBLE.py (I'm not
familiar with that) can be made to do this conversion?

Hope that helps,


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