Changelog¶

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.2.0]¶

Spin object system: Implemented a new object-oriented approach for handling NMR data:
Spin class for individual spectrum data
SpinCollection class to manage multiple spectra with efficient
Enhanced default management: Defined default plot styling with possibility to override
Added read_nmr and .plot(): Implemented unified way to read and plot data
DMFit Support: Added functionality to read and plot data from DMFit
Added Testing: Added test suite with improved coverage

Code architecture: Major refactoring for cleaner design and better maintainability:
Removed circular dependencies between modules
Improved function interfaces with clearer argument passing
Enhanced exception handling with more precise error messages
IO operations: Redesigned data loading process:
Minimized try/except blocks for better error tracing
Streamlined exception handling with more specific error messages
Consolidated duplicate code for better maintainability

Terminal functionality: Added bruker2csv to convert NMR data into CSV from the terminal.
Plotting functions: Added the following functions to streamline plotting:
- bruker1d for generating 1D NMR plots
- bruker1d_grid for generating subplots
- bruker2d for generating 2D NMR plots
NMR dataframe: Added the nmr_df function to create a Pandas DataFrame from NMR data, for further data manipulation, analysis and plotting.
Tutorials:
- Creating 1D and 2D plots using the spinplots functions.
- Obtain a Pandas DataFrame from NMR data for custom plot styling and manipulation.