Installing Protomix¶

!pip install protomix

Import packages¶

import numpy as np
import pandas as pd
import time

import protomix as px

import seaborn as sns
import matplotlib.pyplot as plt
from plotly.subplots import make_subplots
import plotly.graph_objects as go
import plotly.io as pio
from sklearn.decomposition import PCA

pio.templates.default = "plotly_white"

Downloading the dataset from Zenodo link¶

!wget -O NMRDataset.zip https://zenodo.org/record/13467227/files/NMRDataset.zip?download=1

Unzipping the downloaded dataset¶

!unzip NMRDataset.zip
main_directory = r'/content/spectra'

Caution

Directory where the Bruker data are located, please keep the same Bruker directory format.