Getting Started

The latest version of MOCCA2 can be installed simply using pip:

pip install mocca2

Example data can be then downloaded using the following command:

python -m mocca2 --download-data

Now you are ready to process your first chromatogram!

from mocca2 import example_data
from matplotlib import pyplot as plt

# Load example data
chromatogram = example_data.example_1()

# Correct the baseline
chromatogram.correct_baseline()

# Crop the chromatogram to the region of interest, 1.4 to 1.8 minutes
chromatogram.extract_time(1.4, 1.8, inplace=True)

# Exclude low wavelengths that tend to be noisy - ignore everything below 220 nm
chromatogram.extract_wavelength(220, None, inplace=True)

# Find peaks in the chromatogram
chromatogram.find_peaks(min_height=2)

# Deconvolve the peaks
print("Deconvolving peaks, this migth take a minute...")

chromatogram.deconvolve_peaks(
    model="FraserSuzuki", min_r2=0.999, relaxe_concs=False, max_comps=5
)

print("Deconvolved!")

# Plot the chromatogram
chromatogram.plot()
plt.show()

The resulting plot shows correctly located and deconvolved peaks.