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Figure 2
Illustration of the simulation of data using the detailed model described by equations (1)[link], (2)[link] and (3)[link]. The simulated C 1s for [h\nu\in\{650,{{958}},1576,{{1884}}\}] eV and O 1s for hν ∈ {897, 1507} eV data are generated using a sharp edge volume approximation and a smooth edged profile. The C 1s spectra in panels (a) and (c) exhibit three peaks, χ1, χ2 and χ3, one for each chemical state of carbon in the simulated system, characterized by the mode and width determined by the polynomial models, equations (19)[link]–(24)[link]. The water O 1s spectra are simulated with two peaks, one for the liquid phase [see equations (15)[link] and (17)[link]] and one for the gas phase [see equations (16)[link] and (18)[link]]. Each panel represents one spectrum with and without measurement noise, and the background signal.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 30| Part 4| July 2023| Pages 766-779
https://doi.org/10.1107/S1600577523004150
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