[Ifeffit] Handling large data sets in Athena (and energy dispersive calibration)

[Bruce Ravel]

Hey Ian,

Basically, ditto on what Matt said.  300 columns is not something that 
Athena is designed to do.  My opinion is that you (or the beamline you 
visit) should have some kind of tool to turn a file that into XAS.

As for the energy dispersive thing -- it's long been on the to do list. 
  From time to time, I have poked at it, but I have never developed an 
algorithm that I actually like.  Even the algorithm in the old Athena 
was unstable and required very good initial guesses.  The best parts of 
A&A are the parts that I have needed in my career.  I've never actually 
done my own experiment at an ED beamline, so my software doesn't really 
support it.

B

On 12/18/2014 04:19 AM, Godfrey, Ian wrote:
> Dear All,
>
> Here’s an issue I recently encountered while trying to handle some very
> large /in situ/ datasets in Athena; it may be by design/an inherent
> limitation, rather than a bug, though:
>
> (I am running Demeter 0.9.21 pre and Demeter 0.9.20 , both x64 on
> Windows 8.1 x64 on separate machines).
>
> Each of my datafiles contains over 300 columns of u(E) data as space
> delimited plain text, however when I try and import them to Athena the
> import window will only display checkboxes up to column 87.
>
> I’ve attached an example datafile and a logfile to this email. (The data
> is very poor, but that shouldn’t be an issue for debugging…) I’ve also
> attached a copy of the datafile as it came from the beamline – this also
> displays the issue, so it’s nothing I’ve done to the file.
>
> On a related note, is it possible for the energy dispersive data
> calibration to be added back to Athena? To get the calibration
> parameters for this data I had to use the (very) old version!
>
> Thanks,
>
> Ian
>
> ----
>
> Ian Godfrey
>
> PhD Student,
>
> UCL/JAIST Programme
>
> Industrial Doctorate Centre in Molecular Modelling and Materials Science,
>
> Department of Chemistry,
>
> University College London
>
> and
>
> School of Materials Science,
>
> Japan Advanced Institute of Science and Technology
>
> i.godfrey at ucl.ac.uk <mailto:i.godfrey at ucl.ac.uk> i.godfrey at jaist.ac.jp
> <mailto:i.godfrey at jaist.ac.jp>
>
>
>
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-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/