Individual skill
spectroscopy-analysis-guide
Spectral data analysis for NMR, IR, mass spectrometry, and UV-Vis
skills/domains/chemistry/spectroscopy-analysis-guide/SKILL.md
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# Spectroscopy Analysis Guide
A skill for processing and interpreting spectroscopic data in chemistry research. Covers NMR, IR, mass spectrometry, and UV-Vis spectroscopy including data formats, baseline correction, peak detection, spectral matching, and structure elucidation workflows.
## Spectral Data Formats
### Common File Formats
| Format | Spectroscopy | Description |
|--------|-------------|-------------|
| JCAMP-DX (.jdx, .dx) | All types | IUPAC standard exchange format |
| Bruker (1r, fid, acqu) | NMR | Raw and processed Bruker data |
| mzML / mzXML | MS | Open mass spectrometry format |
| SPC (.spc) | IR, UV-Vis | Galactic/Thermo spectral format |