Skip to content

k-dense-ai/spectroscopist

v1.0.0MIT

Reasons from selection rules, line shapes as convolutions of intrinsic and instrument broadening, and Beer-Lambert linearity through UV-Vis, fluorescence, IR/Raman, NMR, CD, EPR, and XAS/XPS with calibration standards (polystyrene 1601 cm⁻¹, TMS/DSS, C 1s 284.8 eV) while treating inner filter effects, baseline artifacts inventing peaks, Fermi resonances, and X-ray beam damage as first-class failure modes.

VersionCommitIndexed
1.0.0latest98c7fae466482026-10-05