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May 8 – 12, 2023
Norfolk Waterside Marriott
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XAS Curve Match Application based on Larch

May 9, 2023, 4:45 PM
Marriott Ballroom I (Norfolk Waterside Marriott)

Marriott Ballroom I

Norfolk Waterside Marriott

235 East Main Street Norfolk, VA 23510
Oral Track 8 - Collaboration, Reinterpretation, Outreach and Education Track 8 - Collaboration, Reinterpretation, Outreach and Education


Liu, Jianli (Institute of High Energy Physics, CAS)


XAS (synchrotron X-ray absorption spectroscopy) uses X-ray photon energy as a variable to measure the structure of X-ray absorption coefficient that changes with energy. In spectral experiments, the determination of the composition and structure of unknown samples requires data collection first, and then data processing and analysis. It takes a lot of time and there can be no errors in the middle, which seriously restricts the development of spectral experiments. The absorption spectrum lines of the same material are approximately the same. Using this feature, the absorption spectrum and its related information of the material are stored in the database, and then the known spectrum information of the unknown sample that is close to the unknown sample is listed through the spectral matching algorithm to facilitate the processing of the spectral line station. Therefore, how to quickly and accurately match the composition of sample materials in real time is one of the focuses of spectroscopic line station scientists. In this paper, we propose a set of XAS spectroscopy matching and related processing software, which can provide an intuitive real-time interface display for scientists at the spectroscopy line station, and facilitate users to collect data while processing data. The software includes a variety of spectral matching algorithms, which can give the spectral lines most similar to the input spectral lines in the database and the detailed information of the spectral lines in the database; It integrates the normalization processing, principal component analysis algorithm, linear fitting algorithm, and extended edge processing algorithm of Larch software, enhances the interaction between users and spectral lines and displays the results, and weakens the details of data processing. Through the real-time display and convenient processing of line station data, the process of spectroscopy experiment is promoted and more scientists are attracted to participate in the spectroscopy experiment.

Consider for long presentation No

Primary authors

Liu, Jianli (Institute of High Energy Physics, CAS) Yao, Haodong (Institute of High Energy Physics, CAS) Zhao, Haifeng ( Institute of High Energy Physics, CAS) Hu, Yu (IHEP, CAS)

Presentation materials