Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.
Dynamic Time Warping and Correlation Optimized Warping for signal alignment
BIRFI estimates the IRF via least squares and Tikhonov penalty from the fluorescence decay itself.
Sparse PARAFAC with L1-penalized multi-way tensor decomposition
Removes cosmic peaks from spectral data via derivative thresholding and interpolation.
Normalizes an input matrix using various norms and dimensions for flexible data scaling.
OALS calculates the scores and loadings from data with missing values.
Multiblock PCA and PLS methods for multi-source data analysis
This code recovers saturated signals using O-ALS by treating saturated signal as NaNs and reconstructing them from PCA subspace.
Sparse PCA with L1-penalized loadings for variable selection
Smooths each row of the input data (or computes its derivatives) using a Savitzky-Golay filter.