tashima-tarsh/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.
| Version | Commit | First seen |
|---|---|---|
| 1.0.0latest | 9127e2358430 |