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nmrglue
Processes calibrated one-dimensional complex NMR free-induction decays with nmrglue into phased spectra, peak candidates, and signed integration regions. Use for raw 1D NMR processing, ppm-axis verification, apodization, Fourier transformation, manual phasing, baseline correction, or reproducible spectral integration.
skills/nmrglue/SKILL.md
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# nmrglue: calibrated 1D FID processing
## When to use
Use for a uniformly sampled complex 1D FID whose acquisition parameters and complex
frequency convention are available. The helper produces a descending ppm spectrum,
positive peak candidates, signed region integrals, and a reproducible processing report.
It does not identify compounds or assign resonances.
The executable accepts a NumPy `.npz` containing exactly one complex `fid` array or a
canonical 1D complex time-domain NMRPipe file. NMRPipe reading is tested with a synthetic
write/read round trip, known-spectrum recovery, and a small upstream NMRPipe-generated
binary fixture. Experimental Bruker, Varian, and JEOL
imports are **not verified by this suite**. For those formats, first inspect the relevant