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Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.

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Department of Food Science - Chemometrics (University of Copenhagen)

The Square

Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.

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Multiblock Analysis Unmixing Missing data Visualization MATLAB

Multiset Builder

Interactive MATLAB tool for visually constructing block-structured multisets and their structural-observation masks.

Preprocessing Missing data Visualization MATLAB

EEM Cleaner GUI

Interactive MATLAB interface for masking Rayleigh and Raman scatter in EEM fluorescence data and handling masked pixels with NaN, interpolation, SVD, PARAFAC-ALS, O-ALS, or MCR-ALS.

Feature Selection Data exploration Missing data MATLAB

PCA for missing data (O-ALS)

OALS calculates the scores and loadings from data with missing values.

Preprocessing Missing data MATLAB

Reconstruction of saturated spectra via O-ALS

This code recovers saturated signals using O-ALS by treating saturated signal as NaNs and reconstructing them from PCA subspace.

Missing data MATLAB

INDAFAC

Sparse PARAFAC fitting for incomplete multi-way data via Levenberg-Marquardt

Feature Selection Data exploration Missing data MATLAB

PCA for missing data (Iterative SVD)

Iterative SVD performs iterative PCA-based imputation to handle missing data.

Data exploration Feature Selection Missing data MATLAB

NIPALS

NIPALS performs PCA on data using iterative least squares and deflation steps. It can deal with missing values.

Preprocessing Missing data MATLAB

Whittaker smoother for data with missing values

A Whittaker smoother using penalized LS & iterative imputation to smooth data & fill gaps.

The Square

Thank you for helping us build a stronger, more collaborative chemometric community!

Our supporters

The Square

Multiset Builder

EEM Cleaner GUI

PCA for missing data (O-ALS)

Reconstruction of saturated spectra via O-ALS

INDAFAC

PCA for missing data (Iterative SVD)

NIPALS

Whittaker smoother for data with missing values

Thank you for helping us build a stronger, more collaborative chemometric community!

Multiset Builder

EEM Cleaner GUI

PCA for missing data (O-ALS)

Reconstruction of saturated spectra via O-ALS

INDAFAC

PCA for missing data (Iterative SVD)

NIPALS

Whittaker smoother for data with missing values