Trouble with energy spacing in .nor files Athena
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@canada.camailto:eleanor.berryman@canada.ca / Tel : 613-995-4479 Minéralogiste & Géochimiste, CanmetMINES Secteur des terres et des minéraux / Ressources naturelles Canada / Gouvernement du Canada eleanor.berryman@canada.camailto:eleanor.berryman@canada.ca / Tél : 613-995-4479
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@canada.ca mailto:eleanor.berryman@canada.ca / Tel : 613-995-4479
Minéralogiste & Géochimiste, CanmetMINES
Secteur des terres et des minéraux / Ressources naturelles Canada / Gouvernement du Canada
eleanor.berryman@canada.ca mailto:eleanor.berryman@canada.ca / Tél : 613-995-4479
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-- Bruce Ravel ------------------------------------ bravel@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/
participants (2)
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Berryman, Eleanor (NRCAN/RNCAN)
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Ravel, Bruce