annotate_peak

Category: Data Visualization

Classes

annotate_peak

A Dash application for annotating NMR spectra with interactive features. This application allows users to visualize NMR spectra, add annotations, style lines, and export annotations in HTML and JSON formats. Parameters:

• spectra: DataFrame containing NMR spectra data.
• ppm: List of ppm values corresponding to the spectra.
• label: Series or DataFrame containing labels for the spectra. Usage:

import pandas as pd
df = pd.read_csv('path_to_your_data.csv')
spectra = df.iloc[:, 1:]  # Assuming first column is not part of spectra
ppm = spectra.columns.astype(float).to_list()
label = df['Group']  # Assuming 'Group' is the label column
annotator = annotate_peak(label, spectra, ppm, label)
annotator.run(debug=True, port=8050)

Methods