Hi Matt,
I had similar thing in my mind but I thought before I spend lot of time in
writing and debugging the script I could ask if any one ran in to same
problem.
And eventually some solution.
Indeed, its good idea !
Thanks for your time.
Best regards
Atul
-----Original Message-----
From: Matt Newville
Sent: Monday, May 6, 2013 9:51 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] Athena- Demeter 0.9.14 importing data
Hi Atul,
On Sat, May 4, 2013 at 5:10 PM, <abans...@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.
--Matt
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