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Lovelace's Square

The Square

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

Filter by

Codes Datasets

Simulation MATLAB

Simulated-GC-MS

Simulates GC-MS datasets with retention time shifts for PARAFAC2 benchmarking

Kuangda Tian [1][2], Lijun Wu [3] et al.MIT | 1.0 | 2026-02-19

Simulation MATLAB

Spectra simulator

This function allows to quickly simulate n- gaussian spectra.

Ruggero GuerriniMIT | 1.0 | 2025-04-11

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

If you’re interested in becoming a contributor, please contact our team for more information or visit our Contributor’s Guide to learn more about the submission process.

Get Started

Simulation MATLAB

Simulated-GC-MS

Simulates GC-MS datasets with retention time shifts for PARAFAC2 benchmarking

Kuangda Tian [1][2], Lijun Wu [3] et al.MIT | 1.0 | 2026-02-19

Simulation MATLAB

Spectra simulator

This function allows to quickly simulate n- gaussian spectra.

Ruggero GuerriniMIT | 1.0 | 2025-04-11