# ``relaxometrynmr``: NMR relaxometry made easy !
``relaxometrynmr`` an open-source Python package for solid-state NMR relaxation data analysis: T1, T1_rho and T2.
This package is only compatible with Bruker's NMR data (see User's guide).
# Why ``relaxometrynmr``?
This package is built for NMR relaxometry data analysis and offers a user-friendly data processing. It streamlines the analysis of relaxation time constant (T1, T1_rho or T2) and reduces analysis time by more than 50%. It comprises several built-in modeling functions such as mono-, di-, tri-, and stretch-exponential. These functions offer the flexibility to model a wide range of relaxation behaviors -- from simple to complex systems.
# Key Features
## Comprehensive NMR Data Handling
- Supports mainly Bruker's data
- Handles data reading, conversion, and processing seamlessly
- Automatically detects and loads delay list (vdlist, vplist, or vclist) for relaxometry experiments
## Advanced Data Processing
- Zero-filling for improved spectral resolution
- Phase correction (0th and 1st order) for signal representation in pure-absorption mode
- Gaussian apodisation for line broadening and improvement of signal-noise ratio
## Spectral Integration
- Numerical integration methods (trapezoid and Simpson's rule) for robust quantification of peak area
## Visualisation
- Full spectrum view for context
- Zoomed-in region for detailed analysis
## Modelling and Data Fitting
- multiple-component models: mono-, bi-, and tri-exponential functions for simple to complex relaxation
- stretched exponential models: for systems with non-standard relaxation dynamics (e.g., disordered materials)
- decay analysis: tools for analysing exponential decay curves with multiple components
# Install
```bash
pip install relaxometrynmr
```
# Dependencies
The following packages are required:
```bash
nmrglue
numpy >= 1.26.0
matplotlib >= 3.9.0
mrsimulator = 0.7.0
pydantic = 1.10.0
```
You can install these dependencies using pip:
```bash
pip install nmrglue numpy>=1.26.0 scipy pydantic = 1.10.0 mrsimulator = 0.7.0
```
Examples can be found in User Guide
# Contact
For questions and support, please open an issue in the GitHub repository.
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