Our supporters
Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.
Simulates GC-MS datasets with retention time shifts for PARAFAC2 benchmarking
XYOnion: a layer-based method for splitting datasets into calibration and validation subsets.
Sparse PARAFAC with L1-penalized multi-way tensor decomposition
A Whittaker smoother using penalized LS & iterative imputation to smooth data & fill gaps.
Removes cosmic peaks from spectral data via derivative thresholding and interpolation.
It unfolds a hyperspectral image by combining its two spatial dimensions.
Creates a combined PCA plot with scores, loadings, and violin plots to visualize sample groups, variable impact, and distributions.
The Fourier filter filters data in the frequency domain to remove unwanted noise and artifacts.
NIPALS performs PCA on data using iterative least squares and deflation steps. It can deal with missing values.
This code recovers saturated signals using O-ALS by treating saturated signal as NaNs and reconstructing them from PCA subspace.