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Python script to perform data analysis of Raman spectrum with fitting Lorentz curve with genetic algorithm of initial parameters to chosen mode and automatic export to txt file. This example was made in order to annalyse carbon nanotubes single point, multiple acquisitions measurement data.
Computational condensed matter research code written in C++. Primary applications relate to low-dimensional carbon nanomaterials, phonons, and structural optimization.
Set of data on polarizability with programs for obtaining the derivative of polarizability invariants (for H2, HD and D2) for specific inter-nuclear distance specific to a state defined by rovibrational wavefunction.
Here we apply deep learning approaches to accurately identify 30 common bacterial pathogens, reaching an average isolate-level accuracy exceeding 78%, and an antibiotic treatment identification accuracy of 95%.
This is a python script for working with resonance Raman spectra. This script allows background correction, normalization and subtraction of single spectra and averaged data from multicolumn data.
Companion website with an overview of the methods developed in the paper "The Rising Sun Envelope Method: an automatic and accurate peak location technique for XANES measurements".
A repository containing programs for determining the intensity calibration curve (or the wavelength sensitivity) for Raman spectrometers (and more) from the rotational Raman spectra of diatomic hydrogen and its isotopes.