ParSeq-XAS

GitHub:

version history

PyPI:

License:

Author:

Konstantin Klementiev (MAX IV Laboratory)

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A pipeline for data analysis of XAS spectra built on top of the ParSeq framework.

The pipeline calculates absorption coefficient from transmission signals or signals of secondary processes (fluorescence or electron yield), determines absorption edge position, calculates pre- and post-edge background, calculates EXAFS function, its forward and backward Fourier Transform. The pipeline has Linear Combination Fit, Function Fit and EXAFS fit.

 currents Tr

 counts PFY

 currents TEY/TFY

 2D XES

make tr mu

make PFY mu

make TEY mu

make HERFD

 µd   LCF  (4 threads)    function fit  (2 processes) 

make chi

 χ(k)

make FT

 FT, χ(r)

make BFT

 BFT, χ̃(k)   EXAFS fit  

User’s Guide

• No GUI: data nodes
  • Experimental signals
  • Absorption coefficient µ(E)
  • EXAFS function χ(k)
  • Fourier-transformed EXAFS function χ(r)
  • Fourier-filtered EXAFS function χ̃(k)
• No GUI: data transformations
  • Make absorption coefficient
  • Make EXAFS function χ(k)
  • Make Fourier-transformed EXAFS function χ(r)
  • Make back-Fourier-transformed EXAFS function χ̃(k)
• No GUI: data fits
  • Linear Combination Fit of µ(E)
  • Function Fit of µ(E)
  • EXAFS Fit of χ(k) and χ(r)
• GUI: transformations
  • Experimental 1D signals
  • Absorption coefficient µd(E)
  • EXAFS function χ(k)
  • Fourier-transformed EXAFS function χ(r)
• GUI: fits
  • Linear Combination Fit of µ(E)
  • Function Fit of µ(E)
  • EXAFS Fit of χ(k) and χ(r)
• ParSeq-XAS How-tos
  • Pipeline launch and command line options
  • Data loading
  • Data range
  • Data deglitching
  • Data combinations
  • Project files and data saving
  • Make publication plots
• The MIT License