NEWS

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specmine 4.0.0 (2026-09-08)

New features

• Added Raman/SERS spectral preprocessing functions: raman_crop_spectra(), raman_despike(), airPLS_fast_dataset(), raman_normalize() and raman_sgolay_derivative().

• Added Raman/SERS peak-analysis functions: raman_find_peaks(), raman_align_peaks() and raman_normalize_peak_features().

• Added optional Fourier and Haar wavelet feature extraction through raman_transform_fourier() and raman_transform_wavelet().

• Added interactive PCA 3D score plots with pca_scoresplot3D() and improved support for non-consecutive principal-component selections in 3D PCA visualizations.

Improvements

• Improved input validation, documentation and reproducible examples for Raman/SERS and PCA workflows.

• Improved compatibility of PCA 3D group colouring for metadata factors with unused levels.

specmine 3.1.8 (2026-08-05)

• Fixed malformed roxygen example blocks.
• Added and improved \value{} documentation in .Rd files.
• Removed commented example code and improved example robustness for checks.
• Improved documentation consistency.
• Updated package metadata.

specmine 3.1.7

• Fixed CRAN resubmission issues related to optional dependencies.
• Updated repository links and package metadata.
• Improved package documentation.