spectroscopy-analysis-guide

What problem does it solve?

Analyzing and interpreting spectroscopy data is time-consuming and error-prone when done manually; this guide provides a structured workflow to process NMR, IR, MS, and UV-Vis data and derive meaningful insights.

Core Features & Use Cases

• Supports multiple data formats (JCAMP-DX, Bruker NMR, mzML/mzXML, SPC, CSV/TXT) for seamless data ingestion.
• Provides end-to-end spectral processing steps: baseline correction, smoothing, peak detection, spectral matching, and structure elucidation guidance.
• Use case: researchers import raw spectra, identify key peaks, assign functional groups, and prepare results for publication or reporting.

Quick Start

Process a provided Bruker NMR dataset to produce a cleaned spectrum and a list of identified peaks with their chemical shifts.