alibz

Laser induced breakdown spectroscopy data analysis

Installation

Use pip to install the required libraries. The repository includes a dependencies.txt file with the core packages:

pip install -r dependencies.txt

Usage

The peaky_demo_v1.ipynb notebook demonstrates the typical workflow for finding and indexing spectral peaks.

1. Open the demo notebook

   Launch Jupyter and open peaky_demo_v1.ipynb.

2. Import the analysis tools

   from peaky_finder import PeakyFinder
   from peaky_indexer import PeakyIndexer

3. Create the Finder and Indexer

   Provide the path to your raw spectrum data and initialize the classes:

   data_dir = "path/to/raw/data"
   finder = PeakyFinder(data_dir)
   indexer = PeakyIndexer(finder)

4. Load data and fit spectra

   finder.data.load_data()
   results = finder.fit_spectrum_data(sample_index, n_sigma=1)

5. Match peaks to database entries

   matches = indexer.peak_match(
       results["sorted_parameter_array"],
       element_list=["Li", "Na", "Ca", "K", "Rb", "Cs", "Ba"],
   )

6. Visualize matched peaks (optional)

   import numpy as np
   import matplotlib.pyplot as plt
   
   li_peaks = np.array(list(matches["Li"].ions[1.0].values()))
   plt.scatter(li_peaks[:, 0], li_peaks[:, 1])

These steps mirror the workflow in peaky_demo_v1.ipynb and provide a starting point for analyzing laser-induced breakdown spectroscopy data.