[Ifeffit] Trouble with energy spacing in .nor files Athena
Ravel, Bruce
bravel at bnl.gov
Fri Nov 22 11:56:49 CST 2019
This bug is explained here:
https://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg06572.html
and in the next message by thread.
Executive summary: the problem is a bug in Athena interpreting an energy
column expressed in keV.
It has since been fixed at GitHub. I am struggling to find the time to
build a new Windows installer, but when I di, this problem will be fixed.
In the short term, find a way to edit your data files to convert keV
units to eV units. Or politely ask your beamline scientist to write out
the data in eV units.
HTH,
B
On 11/22/19 12:22 PM, Berryman, Eleanor (NRCAN/RNCAN) wrote:
> I have run into a problem with Athena binning the energies of my
> imported spectra without being told to. This problem is best explained
> by example:
>
> I am processing XANES data collected around the Cr edge (5989 eV). I
> load a datafile that has data collected in 5 eV steps from 5789.2 to
> 5969.2 eV; in 0.5 eV steps from 5969.2 to 6019.2 eV; in 1 eV steps from
> 6019.2 to 6139.2 eV.
>
> In the ‘Import Data’ popup window (Athena: column selection), the
> preview of the raw data shows the current energy resolution. The raw
> data is processed in Athena using column 1 as Energy, column 10 as
> Numerator, and column 4 as denominator. ‘Perform rebinning’ is
> unselected. I save the processed data as norm(E) to produce the
> attached result, which has data in the following steps: 5 eV steps from
> 5789.2 to 5969.2 eV; 1 or 1.5 eV steps from 5970.2 to 6018.7; 1 or 2 eV
> steps from 6020.2 eV to 6138.2 eV.
>
> I have used the rebinning feature during import to circumvent this
> problem. When I rebin, the saved .nor file obeys the rebinned energy
> spacing. I need to find a better solution than this. I need to find a
> way for Athena to obey the energy spacing of the imported dataset.
>
> Details on my version of Athena:
>
> Demeter 0.9.26
>
> Downloaded last week and today.
>
> Installation run as user and as administrator. The problem persists even
> after reinstallation.
>
> System details: 64-bit Windows 10 Operating System
>
> Thanks in advance for any direction in finding a solution to this problem.
>
> *Eleanor Berryman, PhD*
>
> Mineralogist & Geochemist, CanmetMINING
>
> Land & Minerals / Natural Resources Canada / Government of Canada
>
> eleanor.berryman at canada.ca <mailto:eleanor.berryman at canada.ca> / Tel :
> 613-995-4479
>
> Minéralogiste & Géochimiste, CanmetMINES
>
> Secteur des terres et des minéraux / Ressources naturelles Canada /
> Gouvernement du Canada
>
> eleanor.berryman at canada.ca <mailto:eleanor.berryman at canada.ca> / Tél :
> 613-995-4479
>
>
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--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Lead Beamline Scientist, 6BM (BMM)
Building 743, Room 114
Upton NY, 11973
Homepage: http://bruceravel.github.io/home/
Beamline: https://www.bnl.gov/ps/beamlines/beamline.php?r=6-BM
Software: https://github.com/bruceravel
Demeter: http://bruceravel.github.io/demeter/
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