[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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