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metbit.ui_stocsy

Visualization and apps module in metbit 6.0.2.

import metbit.ui_stocsy

Classes

STOCSY_app

A Dash application for visualizing NMR spectra and performing STOCSY analysis.

Parameters:

spectrapd.DataFrame

DataFrame containing the NMR spectra data.

ppmlist

List of PPM (parts per million) values corresponding to the spectra.

Methods:

run_ui() -> dash.Dash: Sets up the Dash UI layout and initializes the application callbacks.

Methods

__init__(self, spectra: pd.DataFrame, ppm: list)

Initializes the STOCSY_app with NMR spectra and corresponding PPM values.

Parameters:

spectrapd.DataFrame

A DataFrame containing the NMR spectra data, where each row represents a sample.

ppmlist

A list of PPM values corresponding to the spectral data columns.

run_ui(self)

Sets up the Dash application layout and callbacks.

Returns:

appdash.Dash

The initialized Dash application instance.

Source

metbit/ui_stocsy.py at v6.0.2
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metbit 6.0.2 documentation