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...RamanToolSet offers the following functions for processing:
- scaling spectra
- offset spectra
- cut spectra
- averaging spectra
- smoothing spectra
- normalizing spectra
- background subtraction
- polynomial subtraction
The following analytical tools have been implemented:
- Principal Component Analysis (PCA)
- Clustering analysis
- Extended Multiplicative Signal Correction (EMSC) analysis
The following mapping tools have been implemented:
- Producing single spectra files from Renishaw, Witec and Horiba mapping files (.txt)
- Mapping the single spectra so imported from Renishaw, Witec or Horiba files
- PCA is performed over mapping spectra and PCA-Scores are mapped
- ICA is performed over mapping spectra and ICA-coefficients are mapped
- Clustering analysis is performed over mapping spectra and Clusters are mapped
qsims simulates quantum dynamics with an (almost) arbitrary time-dependent Hamiltonian. qsims uses a Chebychev polynomial expansion of the Schrodinger propagator, and the pseudospectral method developed by R. Kosloff.