Extended Data Table 1 Peak positions obtained from multi-taper Fourier analysis of the chronos before the encounter with the conical intersection vs. peak positions obtained from time-resolved Raman spectra of PYP, all in THz

From: Few-fs resolution of a photoactive protein traversing a conical intersection

  1. Each chrono displays a characteristic frequency spectrum, which sometimes includes a subset of the peaks observed in another chrono. The exact peak position can change by ~ 2 THz as multi-taper parameters are varied. Closely separated peaks are identified as one peak at the average frequency position. Using time-resolved Raman spectroscopy, Kuramochi et al.33 have investigated the approximately 3 – 30 THz frequency range in PYP. As shown in the Table, all frequency peaks in this frequency range revealed by multi-taper analysis of the chronos before the encounter with the conical intersection can be identified with a peak observed by Kuramochi et al. with a frequency accuracy of 7% or better. However, the time-resolved Raman spectra contain additional peaks (not shown) not observed in our analysis of the chronos. This suggests that not all spectroscopically observed frequencies pertain to the structure dynamical collective variables we have extracted from time-resolved scattering data.
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