[Ifeffit] Athena- Demeter 0.9.14 importing data

Matt Newville newville at cars.uchicago.edu
Mon May 6 14:51:59 CDT 2013

Hi Atul,

On Sat, May 4, 2013 at 5:10 PM,  <abansode at iciq.es> wrote:
> Hi Matt,
> Thanks for your reply !
> Sorry, and I don't mean to pick on you in particular, but just to
> emphasize Bruce's response.  Did you really think your question could
> be answered with the data files?
> Well, I suppose the data file were necessary to understood what kind of
> problem I am seeing and if its really reproducible on some other PC, to be
> called is as a problem.
> That’s what I understood from Bruce´s message.
> DAthena tries to read any data file, but beamlines seem to be able to write
> very odd data files, and
> it is inevitable that some raw data files will cause problems.
> I fully understand that different beamlines will produce different type of
> files depending on their preference. My message was to check if I can get
> some help if I have this kind of data set !
> Well, what would be your guess at could be going on?  What have you
> tried so far?
> I look at those files and  two thing come to my mind:  a) Column 1
> appears to be  the highly useless point number.   It seems perfectly
> believable that DAthena might think this column is the energy column,
> and   it appears to be in keV, not eV.    b)  Columns 3 to 10 have 3
> significant digits each.  Thus, without even trying to read the file,
> it's clear that 9 of the 14 columns are of no use.    The file also
> has an extra line at the end without data.
> What I understood so far is dathena doesn’t have an problem to read a single
> data file. It works like charm when I open files one by one and select the
> energy units in eV.
> The problem occurs during import of multiple files where I can choose Energy
> unit to eV but its gets applied to only first file in import.
> Having an Energy unit option in preprocessing tab could be useful ( its just
> some wild thought ) so that same setting will be applied to all the files
> imported.
> Well in the end I can import files one by one but then I have hundreds of
> data files, and that’s what made me to subscribe and mail to Ifeffit mailing
> list to see if I can get any help.

OK, I see that Athena has slightly different behavior when reading one
and many spectra. Just as a warning, I think you may run into problems
using the standard version of Athena to handle hundreds of spectra
(It's not Bruce's fault -- it's a limitation of Ifeffit).   It might
be worth your time (or someone at the beamline producing these files)
to write a dedicated conversion-and-averaging script.


More information about the Ifeffit mailing list