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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Preprocessing MATLAB

GUI for per-interval baseline AsLs correction

AslsLocalPartsGui is a MATLAB GUI for interactive baseline correction of spectra using the asymmetric least squares (ASLS) method per-interval parameters.

Data exploration Preprocessing Missing data MATLAB

PCA for missing data (PCA-ALS-QR)

Performs PCA on incomplete datasets using Alternating Least Squares with QR orthogonalization, handling missing values efficiently.

Preprocessing MATLAB

Interval Correlation Optimized Shifting (iCOshift)

Interval Correlation Optimized Shifting (iCOshift) for fast, robust signal alignment across samples.

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.

Preprocessing MATLAB

Image alignment

MATLAB code to align images and hyperspectral images using shift, rotation, and scaling parameters.

Preprocessing MATLAB

Binning

Performs binning on an N-dimensional array.

Preprocessing MATLAB

Extended Multiplicative Signal Correction (EMSC)

EMSC algorithm for correcting multiplicative/additive effects in spectral data.

Preprocessing MATLAB

PCA filter

Performs PCA filtering on the input matrix, reducing the noise.

Preprocessing MATLAB

Multiplicative Scatter Correction (MSC)

MSC algorithm for correcting multiplicative and additive scatter effects in spectral data.

Preprocessing MATLAB

Cosmic Peak Correction

Removes cosmic peaks from spectral data via derivative thresholding and interpolation.