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Getting started

Installation Overview

API reference

Analysis and models

analysis.large_scale analysis.opls_da analysis.pca analysis.stocsy lazy_opls_da models.base models.cross_validation models.opls models.pls models.vip

NMR and preprocessing

nmr.alignment nmr.calibrate nmr.denoise nmr.peaks nmr.preprocess preprocessing.baseline preprocessing.normalize preprocessing.scaler_ext pretreatment

Statistics and utilities

stats.normalise stats.univariate

Visualization and apps

apps.annotate apps.peak_picker apps.stocsy_app apps.take_intensity viz.boxplot viz.ellipse viz.plots

Other

_internal.pairs _internal.report _native

Release history

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31 documented modules

API reference / NMR and preprocessing

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metbit.nmr.peaks

NMR and preprocessing module in metbit 9.0.0.

import metbit.nmr.peaks

Classes

peak_chops

Methods

__init__(self, data: pd.DataFrame, ppm: list=None)

dataNMR spectra data maybe contain ppm as columns

ppmlist of ppm (Can ignore this argument if columns of data is ppm)

cut_peak(self, first_ppm: float, second_ppm: float)

Source

metbit/nmr/peaks.py at v9.0.0

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metbit 9.0.0 documentation