Data / analysis (XAS)

 

Step 1: Raw data conversion

All raw data collected are automatically saved in a binary 'mda' format, which require conversion into ascii format prior to analysis. A simple program has been available on the beamline computers for this purpose for some while now (please click here for further instructions on its use (pdf, 350 kb)).

However, this program is currently being phased out by a modified version of Average (originating at the Australian National Beamline Facility at the Photon Factory, Japan). As per January 2010, a working version of Average is installed at the beamline computers and users are encouraged to use this program as their preferred tool for raw data conversion and provide feedback on its reliability. Average can read standard 1-D energy scans measured in transmission or fluorescence (100 element detector) and handles multiple file input, calibrations and deadtime correction.

A Windows compatible Average package is now available for download here. Please follow the steps below when installing on your computer:

  1. Open the zipped file and run the setup file to install Average.
  2. Copy epics.dll and libaverage-1.4.dll into the Average-2.0\lib folder.
  3. Search to find where the original XFIT.INI file is installed by default and then overwrite with the XFIT.INI file you just downloaded. Open the new file and check that the path for epics.dll is correct.

Users are encouraged to use Average for processing while conducting experiments at the beamline. Onsite help can then be provided. Simple usage of the program is as follows:

  1. Start Average-2.0.
  2. Load mda file(s) using "Load" function.
  3. Left click one of the coloured squares to specify edge measured.
  4. Use "Calibrate" function to "drift" (align) scans (if multiple) and to calibrate foil energy: left mouse buttons controls zoom, right button defines edge position, then hit "calibrate" again.
  5. Save.

 

Step 2: Analysis

Users are encouraged to utilise the IFEFFIT package for data reduction (Athena) and data analysis (Artemis). Further information and downloads can be found here: http://cars9.uchicago.edu/ifeffit/.

The beamline scientists are experienced in XAS data analysis and can provide expert advice in this regard. Please note however, that it is not a specific task of the beamline scientists to analyse data for users and thus, should you wish to, please pursue their assistance in a reasonable manner.