Scripting#

NucleI has a built-in Python console where you can drive the instrument, process spectra, fit models, and build figures — all against the data you already have open. These guides walk through the things you'll do most often. Each is a short, self-contained recipe; copy one into the console and adapt it.

How it works#

Everything is exposed through a handful of namespaces — device, ops, state, viz, charts, fitting, models, relax, scans, io, qc, reporting, math. Type help_apis() to list them.
Your current data lives in state.signal (the FID) and state.spectrum (the processed spectrum). Most tools read from there by default and write back to it, so plots stay in sync.
Spectra and signals are tqt_nmr objects with rich built-in methods (find_peaks, integrate_peaks, correct_baseline, …) — reach for those before pulling in outside libraries.
Common tools are already imported — np (and numpy), tqt_nmr with Signal1D / Signal2D / Spectrum1D / Spectrum2D, and logger. You don't need to import them.

# What's currently loaded?
print(state.spectrum)
print("peaks picked:", len(state.peaks))

# List everything you can call
help_apis()

Examples#

See your data

Plot signals and spectra, overlay references, and read peaks.
Run a measurement

Build a pulse sequence and acquire on the instrument.
Fit a curve

Fit built-in or custom models and overlay the result.
T1, T2 & dynamics

Extract relaxation rates and correlation times.
Multi-scan workbench

Analyse many scans at once and build cross-scan series.
Custom figures

Assemble and display your own plots.
Save & share

Load, save, export, and feed results into reports.
Quality control

Track instrument health with routine QC checks.

For the full list of every method and argument, see the Backend APIs reference and the TQT-NMR Library page.