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Symposium for Data-Driven Approaches in X-ray Absorption Spectroscopy (DataXAS)

5–6 Jan 2026
ETH Zurich
Europe/Zurich timezone

Session

Data-Driven Decomposition and Spectral Extraction

5 Jan 2026, 10:00
Siemens Auditorium (ETH Zurich)

Siemens Auditorium

ETH Zurich

Campus Hönggerberg

Presentation materials

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  1. 28. From Spectra to Species: Methods and Applications of XAS Spectral Decomposition
    Dr Andrea Martini (Fritz Haber Institute of the Max Planck Society)
    05/01/2026, 10:00
    Oral Presentation
  2. 29. MCR-ALS, the Swiss Army Knife for Quick-EXAFS data analysis
    Dr Valerie Briois (SOLEIL Synchrotron)
    05/01/2026, 11:20
    Oral Presentation

    Multivariate Curve Resolution with Alternating Least Squares (MCR-ALS) is today extensively used to solve the mixture analysis problem from Quick-EXAFS datasets recorded during the monitoring of chemical reactions, phase transitions and others [1-2]. Its objective is to decompose the XAS dataset, D, according to the bilinear relationship characteristic of Beer-Lambert spectroscopies:
    D = C ....

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  3. 30. Spectroscopic data demixing using regularized MCR
    Dr Ilnura Usmanova (Swiss Data Science Center)
    05/01/2026, 12:00
    Oral Presentation
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