Spectroscopy Software Comparison
Data current as of August 2026
Compare spectroscopy software tools side by side — filter by technique, platform, and price to find the right fit for your lab. Read our detailed reviews of free options, or check our buying guide if you're not sure what to look for. Note: Spectragryph is included for reference — see our migration guide for current alternatives.
| Feature | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Techniques | ||||||||||||||
| FTIR | Supported | Supported | Supported | Supported | Not supported | Supported | Supported | Supported | Supported | Supported | Not supported | Supported | Supported | Supported |
| Raman | Supported | Supported | Supported | Supported | Not supported | Not supported | Supported | Supported | Supported | Not supported | Not supported | Supported | Not supported | Not supported |
| UV-Vis | Not supported | Supported | Not supported | Supported | Not supported | Supported | Not supported | Supported | Supported | Supported | Not supported | Supported | Not supported | Not supported |
| NIR | Supported | Supported | Supported | Supported | Not supported | Supported | Not supported | Supported | Supported | Not supported | Not supported | Supported | Not supported | Supported |
| NMR | Not supported | Not supported | Not supported | Not supported | Supported | Not supported | Not supported | Not supported | Not supported | Not supported | Supported | Supported | Not supported | Not supported |
| Core Features | ||||||||||||||
| Peak Picking | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Partially supported | Not supported |
| Baseline Correction | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Not supported | Not supported |
| Library Search | Supported | Supported | Supported | Supported | Supported | Partially supported | Supported | Supported | Not supported | Partially supported | Not supported | Not supported | Supported | Not supported |
| Spectral Math | Supported | Supported | Supported | Supported | Supported | Supported | Partially supported | Supported | Partially supported | Supported | Partially supported | Supported | Not supported | Not supported |
| Batch Processing | Supported | Supported | Supported | Supported | Supported | Supported | Partially supported | Supported | Supported | Partially supported | Not supported | Supported | Not supported | Not supported |
| Curve Deconvolution | Supported | Supported | Supported | Supported | Supported | Supported | Not supported | Supported | Supported | Partially supported | Partially supported | Supported | Not supported | Not supported |
| Chemometrics | Supported | Partially supported | Supported | Supported | Partially supported | Partially supported | Not supported | Supported | Not supported | Not supported | Not supported | Supported | Not supported | Not supported |
| Reporting | Supported | Supported | Supported | Supported | Supported | Supported | Partially supported | Supported | Partially supported | Supported | Partially supported | Supported | Not supported | Partially supported |
| Platforms | ||||||||||||||
| Windows | Supported | Supported | Supported | Not supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Not supported | Supported |
| Mac | Not supported | Not supported | Not supported | Not supported | Supported | Not supported | Supported | Not supported | Supported | Not supported | Supported | Not supported | Not supported | Not supported |
| Linux | Not supported | Not supported | Not supported | Not supported | Supported | Not supported | Supported | Not supported | Supported | Not supported | Supported | Not supported | Not supported | Not supported |
| Web | Not supported | Not supported | Not supported | Supported | Not supported | Not supported | Supported | Not supported | Not supported | Not supported | Not supported | Not supported | Supported | Not supported |
| General | ||||||||||||||
| Open Source | Not supported | Not supported | Not supported | Not supported | Not supported | Not supported | Supported | Not supported | Supported | Not supported | Not supported | Not supported | Not supported | Not supported |
| Maintained | Supported | Not supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported | Supported |
Software Summaries
OPUS
9/10Industry-standard FTIR software with the most comprehensive feature set available. Tightly integrated with Bruker instruments and extensive commercial spectral libraries.
Spectragryph
8.5/10The most complete free spectroscopy tool ever made. No longer maintained after the developer’s passing in December 2024, but v1.2.16.1 remains fully functional.
OMNIC Paradigm
8.5/10Modern successor to OMNIC with cloud connectivity and touch-optimized interface. Deep integration with Thermo Fisher instruments and extensive spectral libraries.
SpectralBench
8/10Full-featured web-based spectroscopy suite with 15 integrated tools, 54,028 reference spectra, 30+ file formats, curve fitting, PCA, and AI-assisted analysis. Under very active development.
MestReNova
8/10The gold standard for NMR data processing with advanced 2D NMR support and structure verification. Unmatched depth for NMR-specific workflows.
Spectrus Processor
8/10JASCO’s standalone spectral processing suite supporting UV-Vis, FTIR, and fluorescence data with solid multivariate analysis tools.
Open Specy
7.5/10Excellent for Raman and FTIR microplastics identification with a large reference library. R dependency limits accessibility for non-programmers.
GRAMS/AI
7.5/10Veteran multi-technique spectral processing platform with comprehensive chemometrics. Handles FTIR, Raman, UV-Vis, and NIR workflows in a single environment.
Fityk
7/10Powerful curve fitting and peak analysis tool with scripting support. Steep learning curve but excellent for deconvolution and quantitative analysis.
Spectra Manager
7/10JASCO’s instrument control and data acquisition software with basic spectral processing. Best suited as a companion to JASCO hardware rather than standalone analysis.
MestReNova Lite
6.5/10Strong NMR processing in the free tier with excellent 1D spectrum handling. Limited to NMR and basic features without a paid license.
OriginPro
6.5/10General-purpose scientific graphing and analysis platform with dedicated spectroscopy apps. Extremely versatile but no built-in spectral library search.
Essential FTIR
6/10Simple web-based FTIR reference library and spectrum viewer. Good for quick functional group identification but very limited as an analysis tool.
OPUS Viewer
5/10View-only tool for Bruker OPUS files with basic printing. No analysis features. Useful only if you need to view spectra from a Bruker-equipped lab.