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This allowed us to use an integration time step of 5 fs while maintaining energy conservation [93], [99].
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We integrated intensity measurements between 435 nm and 515 nm wavelengths, using an integration time of 0.1 s.
In both cases, we have used an integration time step Δ t = 0.01.
We used an integration time of 50 ms, a notch bandwidth of 300 MHz, and a center frequency of 1.45 GHz.
Using an integration time step of 5 fs, the simulation is run for 5.0 ns, with an average system temperature of 300 K.
A fiber-coupled Ocean Optics USB4000 CCD spectrometer with a 1-mm spot size was used to collect reflectance spectra using an integration time of 10 ms, similar to the reflectance setup reported in ref. [47].
In the first stage of MD simulation, the system is equilibrated at a constant temperature of 300 K for 20 ps using an integration time step of 5 fs.
GFP was excited at 480 nm and fluorescence was recorded at 520 nm using an integration time of 20 µs.
Raman signals were collected from the information-rich part of the spectrum between 400 and 1600 cm−1 using an integration time that varied from 1 to 3 sec.
Single measurements of each well were recorded using an integration time of 200 ms. Two different versions of the Quantigene® bDNA assay (v1.0 and v2.0) were used.
All simulations were carried out within the NVT ensemble with a Nosé Hoover thermostat using an integration time step of 2 fs.
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