SPOTLIGHT.md

SPOTLIGHT

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pyglotaran: a lego-like Python framework for global and target analysis of time resolved spectra

This paper introduces pyglotaran, a new Python framework for global and target analysis of time-resolved spectra, and the spiritual successor to (legacy) Glotaran.

The novel features are showcased through three case studies, for which Jupyter notebooks are available:

1. The first study uses guidance spectra and a parametric description to detail "coherent artifact" (CA) in transient absorption, revealing the framework's capability to resolve vibrational wavepackets via damped oscillations.
   1. 4TT/sequential_doas_4TT.ipynb
2. The second focuses on the light-absorbing efficiency of multichromophoric systems, especially when comprised of two chromophores.
   1. rc/target_rc_part1.ipynb
   2. rc/target_rcg_compare_part2.ipynb
   3. rc/target_rcg_gcrcg_rcgcr_refine_part3.ipynb
3. The final case study elucidates the energy transfer pathways in the time-resolved emission of whole photosynthetic cells, characterizing the contributions of numerous megacomplexes. These studies span systems ranging from singular chromophores to a megacomplex of approximately 500, with temporal resolutions between ≈10 fs to ≈10 ps.
   1. dPSI/ex_four_datasets_two_guidance_with_area_irf-with_sum_plot_minimal.ipynb

The figure below visually summarizes the results from the first case-study. All plots are generate using pyglotaran and the plotting package pyglotaran-extras.

Figure 1 of 10.1007_s43630-023-00460-y (reproduced as is) showing axample of a

• time-resolved difference absorption Spectrum and fit thereof (row 1),
• with the help of a compartmental model (row 2),
• the damped oscillations (row 3),
• a “coherent artifact” (CA) (row 4)
• and the residual (row 5).

_{DOI: 10.1007/s43630-023-00460-y}

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