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SpectroChemPy

SpectroChemPy is an optional SpectraSherpa dependency and an important spectroscopy software foundation. It provides readers, example datasets, coordinate-aware data structures, and scientific algorithms for spectroscopic analysis.

pip install "spectra-sherpa[scp]"

SpectraSherpa uses the extra for selected spectroscopy readers, example datasets, and coordinate-aware spectral algorithms.

Supported Version

The current SpectraSherpa package declares optional support for SpectroChemPy >=0.8.1,<0.9.0. SpectraSherpa itself currently supports Python >=3.11,<3.13. The lockfile pins SpectroChemPy 0.8.1, also available on PyPI.

How to Cite SpectroChemPy

When SpectroChemPy materially supports an import, preprocessing step, dataset, or algorithm in your analysis, cite it alongside SpectraSherpa. Follow the project's own citing guidance and cite the version you actually used. For a local Python environment, check the installed SpectroChemPy version before finalizing a report or publication.

Recommended citation pattern, adapted from the upstream guidance:

Travert, A., & Fernandez, C. (YEAR). SpectroChemPy, a framework for processing,
analyzing and modeling spectroscopic data for chemistry with Python (version X.Y.Z).
Zenodo. DOI: 10.5281/zenodo.3823841. URL: https://www.spectrochempy.fr

BibTeX:

@software{SpectroChemPy_YEAR,
  author    = {Travert, Arnaud and Fernandez, Christian},
  license   = {CECILL-B},
  title     = {{SpectroChemPy, a framework for processing, analyzing and
               modeling spectroscopic data for chemistry with Python}},
  publisher = {Zenodo},
  doi       = {10.5281/zenodo.3823841},
  url       = {https://www.spectrochempy.fr},
  version   = {X.Y.Z},
  year      = {YEAR},
}

SpectroChemPy is developed by Arnaud Travert and Christian Fernandez (ENSICAEN, Université de Caen Normandie, CNRS). The project's credits page lists its full author and contributor record; treat the upstream citing page as the authoritative source if its wording changes.

License

SpectroChemPy is distributed under the CeCILL-B Free Software License Agreement. CeCILL-B is a permissive, BSD-style license; users should preserve upstream notices and attribution when SpectroChemPy contributes to their work. SpectraSherpa keeps SpectroChemPy as an opt-in extra so users can make an explicit installation choice for vendor readers, optional algorithms, upstream dependency behavior, and citation/license responsibilities (see Boundary).

Boundary

SpectroChemPy must remain opt-in for SpectraSherpa. Do not move it into core dependencies without a deliberate release decision that considers dependency footprint, supported reader behavior, upstream license and citation obligations, and the AGPLv3.0 distribution boundary for SpectraSherpa OSS.