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Scientific and Software Attributions

SpectraSherpa builds on open-source scientific software and public scientific data resources. Attribution is part of scientific traceability: if a reader, algorithm, reference spectrum, or synthetic spectrum materially supports an analysis, cite the upstream resource as well as SpectraSherpa when appropriate.

Software

  • SpectraSherpa OSS: AGPLv3.0
  • SpectroChemPy: spectra-sherpa[scp] support for Thermo OMNIC/OMNICxi .spa, .spg, .srs, Bruker .opus, Galactic .spc, Renishaw .wdf, vendor .txt/.dat, selected datasets, and coordinate-aware algorithms
  • NumPy, SciPy, pandas, scikit-learn, FastAPI, Vue, Plotly, and related infrastructure packages

Scientific Data

  • NIST Chemistry WebBook and NIST Quantitative Infrared data for reference and synthetic infrared workflows
  • HITRAN and HAPI for line-by-line gas-phase synthesis when the optional extra and API key are configured
  • Eigenvector Research example datasets for recommended NIR/OES chemometrics onboarding and validation examples when users download or cache the upstream files locally

Practical Rule

When generated, downloaded, or reference spectra are used in a report, validation record, publication, or customer-facing analysis, cite the upstream scientific data source. This includes HITRAN-derived synthetic benchmark files and user-downloaded Eigenvector Research datasets. When optional software such as SpectroChemPy materially affects import, preprocessing, or modeling, cite that project too.