fidA

fidA is a Python package for processing Free Induction Decay (FID) data, inspired by the FID-A MATLAB code by Jamie Near.

Authors

• Colleen Bailey, Sunnybrook Research Institute
• Ira Yao

Table of Contents

• Features
• Installation
• Usage
• Importable Classes and Functions
• Publishing as a Python Package
• Running Tests
• License
• Acknowledgments

Features

• Data Import/Export:

  • Load FID data from various formats (e.g., Bruker).
  • Read and write LCModel coordinate files.
  • Write data in LCModel .RAW format.

• Processing Functions:

  • Phase correction (zero and first-order).
  • Frequency alignment and shifting.
  • Averaging and median filtering of scans.
  • Exponential line broadening filter.
  • Zero-padding for spectral resolution enhancement.
  • Automatic referencing of ppm values.

• Peak Fitting:

  • Fit single or multiple peaks using Lorentzian or Gaussian models.
  • Estimate peak parameters like amplitude, full width at half maximum (FWHM), and chemical shift.

• Visualization:

  • Plot spectra with customizable parameters.
  • Ridge plots for comparing multiple spectra.

Installation

You can install fidA from PyPI (once it's published) or from the source code.

From PyPI (Not yet available)

pip install fidA