The following is a guide for data processing and software used at the XAS Beamline

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Step 1:

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Inspect data

Within your experiment folder, you will notice a folder called ‘raw’, and a folder called ‘results’.

Raw data are saved as .netCDF and a .hdf5 files (transmission is just .netCDF files only). The beamline software will automatically generate a readable .xdi format text file for you in the ‘results’ folder.

If you collected data in transmission mode then data conversion can be done at the beamline using an mda2ascii script.

If you collected data in fluorescence mode then data conversion can be done using Sakura, which can be downloaded here: Sakura

Note that energy slew scan data will not require any pre-processing (an alternative to Sakura is not yet availablefluorescence data, a pre-processing tool is also available at the beamline which allows you to inspect spectra from individual detector channels, adjust the Region of Interest (ROI) around the fluorescence peak of interest, and re-generate an updates .xdi file if needed (in a folder called ‘processed’).

It’s a good idea to continually check that all data files are being saved and appearing in your results folder, and the data looks as you would expect (load into an analysis software to check this, see below).

Step 2: Analysis

You may choose to use any data analysis package that you are familiar with. At the beamline we often use 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 Demeter software package ((incl Athena, Artemis, and Hephaestus) can be found here: https://bruceravel.github.io/demeter/

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The beamline scientists are experienced in XAS data analysis and can provide some general 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.

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