How metallertm/klassez works
KLASSEZ is a Python toolkit for NMR data handling. Its main user workflow is to load experimental spectra (or create simulated data), process FIDs into spectra, then inspect, analyze or fit the results and visualize them. The modules also support multidimensional and DOSY-related work, interactive GUI operations, and simulation. The source index confirms key module references and a few direct calls; unsampled connections are omitted rather than inferred, so some documented-but-unshown capabilities appear without speculative wiring.
Main entry points: Spectra.py Spectrum classes · fit.py Peak fitting · gui.py Interactive tools · processing.py Signal processing
Components 10
Spectral data
- Spectrum classes
klassez/Spectra.py - Signal processing
klassez/processing.py
NMR methods
- NMR simulation
klassez/sim.py - Peak fitting
klassez/fit.py - Spectrum analysis
klassez/anal.py
Analysis and display
- Interactive tools
klassez/gui.py - Plotting
klassez/figures.py
Shared utilities
- Format I/O
klassez/misc.py - Plot and config
klassez/config.py
Other components
- NMR user
Connections 19
- NMR user → Spectrum classes: loads or creates
klassez/Spectra.py - Spectrum classes → Format I/O: reads data
klassez/Spectra.py - Spectrum classes → NMR simulation: simulates spectra
klassez/Spectra.py - Spectrum classes → Signal processing: processes data
klassez/Spectra.py - NMR user → Signal processing: processes signals
klassez/processing.py - NMR user → Peak fitting: fits peaks
klassez/fit.py - NMR user → Spectrum analysis: analyzes spectra
klassez/anal.py - NMR user → Interactive tools: interacts
klassez/gui.py - NMR user → Plotting: views plots
klassez/figures.py - Signal processing → Format I/O: uses helpers
klassez/processing.py - Spectrum analysis → Peak fitting: fits peaks
klassez/anal.py - Interactive tools → Signal processing: processes data
klassez/gui.py - Interactive tools → Plotting: renders plots
klassez/gui.py - Interactive tools → Spectrum analysis: invokes analysis
klassez/gui.py - Peak fitting → NMR simulation: uses models
klassez/fit.py - Peak fitting → Plotting: plots fits
klassez/fit.py - Plotting → Plot and config: uses settings
klassez/figures.py - Spectrum classes → Spectrum analysis: exposes analysis
klassez/Spectra.py - Spectrum classes → Peak fitting: exposes fitting
klassez/Spectra.py