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JDX2Bruker

A High-Performance JCAMP-DX to Bruker Format Converter

JDX2Bruker Interface

jdx2bruker is a precision conversion engine written in Rust. It performs mathematically lossless extraction of NMR spectroscopic data from JCAMP-DX/ASDF compression algorithms and translates it directly into native Bruker pdata directory structures.

Core Features

  • Zero-Loss ASDF Decoding: Exact point-for-point reconstruction of SQZ, DIF, and DUP data streams.
  • Phase-Sensitive Hypercomplex Correction: Algorithmic detection and truncation of artifactual imaginary matrices appended by third-party exporters (e.g., JEOL Delta / MestReNova).
  • Native TopSpin Integration: Automatically synthesizes standard Bruker acqus, procs, proc2s, 1r, and 2rr parameter and binary files.
  • High-Speed Batch Processing: Capable of recursively scanning and converting entire project directories in milliseconds via multi-threading.

Motivation

Scientific software ecosystems rely heavily on the JCAMP-DX standard for cross-platform data exchange. However, parsing large 2D-NMR matrices via conventional Python libraries introduces severe computational bottlenecks. jdx2bruker solves this by utilizing Rust's memory safety and zero-cost abstractions, offering near-instantaneous translation for massive heteronuclear 2D datasets.

Usage

The application provides both a graphical user interface (GUI) and batch-processing capabilities.

  1. Single File: Select a .jdx file and output directory.
  2. Batch Mode: Select a root project folder. The engine will recursively extract all valid JCAMP-DX spectra and generate a Bruker-compatible tree structure.

Disclaimer

This project is an independent, open-source tool designed to facilitate scientific interoperability. It is not affiliated with, endorsed by, or sponsored by Bruker Corporation. "Bruker" and "TopSpin" are registered trademarks of Bruker Corporation. The software is provided "as is", without warranty of any kind.

License

This project is licensed under the GNU General Public License v3.0 (GPLv3).