prospectr - Miscellaneous Functions for Processing and Sample Selection of Spectroscopic Data

Functions to preprocess spectroscopic data and conduct (representative) sample selection/calibration sampling.

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calibrationcheminformaticschemometricsderivativesinfrarednear-infrarednirpedometricspreprocessingresamplesamplingsignalsoil-spectroscopyspectroscopyquartoopenblascppopenmp

11.23 score 46 stars 5 dependents 442 scripts 1.3k downloads

resemble - Similarity Retrieval and Local Learning for Spectral Chemometrics

Functions for dissimilarity analysis and machine learning in complex spectral data sets, including memory-based learning (MBL), optimal subset search and selection, and retrieval-based modelling with model libraries. Supports local learning, optimisation of spectral libraries, and ensemble prediction from precomputed models. Most of these functions are based on the methods presented in Ramirez-Lopez et al. (2013) <doi:10.1016/j.geoderma.2012.12.014>.

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cheminformaticschemometricsevolutionary-algorithmevolutionary-searchinfrared-spectroscopylazy-learninglocal-regressionmachine-learningmemory-based-learningnirpedometricssoil-spectroscopyspectral-dataspectral-libraryspectroscopyquartoopenblascppopenmp

7.88 score 25 stars 47 scripts 690 downloads