Our supporters
Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.
Smooths each row of the input data (or computes its derivatives) using a Savitzky-Golay filter.
Sparse PARAFAC fitting for incomplete multi-way data via Levenberg-Marquardt
Automated baseline correction, peak detection and grouping for chromatographic data
Fast image super-resolution using conjugate gradient optimization for microscopy and imaging applications.
Legacy weighted SIMPLISMA (pure) for selecting pure variables in multivariate datasets.
Shifted Covariates REgression Analysis for Multi-way data
The Fourier filter filters data in the frequency domain to remove unwanted noise and artifacts.
Simulates GC-MS datasets with retention time shifts for PARAFAC2 benchmarking
SIT decomposes multi-way data from GC-MS by modeling shift-invariant tri-linear structure, 20-60x faster than PARAFAC2.
EMSC algorithm for correcting multiplicative/additive effects in spectral data.