v0.3.0

What's Changed

• Add spectrum processing and visualization features by @pgarrett-scripps in #2
• Enhance spectrum processing with new features and PRM support by @pgarrett-scripps in #3

Full Changelog: v0.2.0...v0.3.0

v0.2.0

What's Changed

• Refactor scoring and tests for consistency and clarity by @pgarrett-scripps in #1

New Contributors

• @pgarrett-scripps made their first contribution in #1

Full Changelog: v0.1.0...v0.2.0

v0.1.0

Initial release

First public release of spxtacular — a Python library for mass spectrometry spectrum processing.

Features

• Chainable Spectrum API: denoise → deconvolute → filter → decharge
• Bhattacharyya-scored isotope deconvolution with optional Numba JIT acceleration (~3–4× faster)
• Fragment matching (match_fragments) with ppm/Da tolerance
• PSM scoring: hyperscore, spectral angle, matched fraction
• Interactive Plotly visualizations: stick plots, mirror plots, annotated spectra
• File readers: Bruker timsTOF .d (DReader) and mzML (MzmlReader)

Install

```bash
pip install spxtacular
pip install spxtacular[numba] # optional JIT acceleration
```

Documentation

https://tacular-omics.github.io/spxtacular/