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Pulse, Parse, and Ponder: Using Invisible XML to Dissect a Scientific Domain Specific Language.

Joseph Michael Courtney¹, Michael Robert Gryk^1,2

¹Department of Molecular Biology and Biophysics, UCONN Health (US).

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Summary

This summary is machine-generated.

This study applies Invisible XML (iXML) to parse Bruker Pulse Programming Language for Nuclear Magnetic Resonance (NMR) spectrometers. This enhances scientific data accessibility and analysis, improving reproducibility.

Keywords:

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Area of Science:

Analytical Chemistry
Spectroscopy
Computational Chemistry

Background:

Specialized scientific file formats and programming languages often hinder data accessibility and interpretation.
Improving the interpretability of these formats is crucial for enhancing scientific reproducibility and utility.
Nuclear Magnetic Resonance (NMR) spectroscopy relies on domain-specific languages like Bruker Pulse Programming Language.

Purpose of the Study:

To explore the application of Invisible XML (iXML) for parsing the Bruker Pulse Programming Language.
To demonstrate how iXML can make specialized scientific data more accessible and interpretable.
To serve as a test case for the iXML parsing approach in a scientific context.

Main Methods:

Development of an iXML grammar specifically for the Bruker Pulse Programming Language.
Application of the iXML grammar to parse NMR experimental data files.
Analysis of challenges and development of solutions for applying iXML to this domain-specific language.

Main Results:

Successful application of iXML to parse the Bruker Pulse Programming Language.
Facilitation of easier and more automated comparison and analysis of NMR experiments.
Demonstration of iXML as a viable tool for scientific data parsing.

Conclusions:

iXML parsing offers a promising approach to enhance the accessibility and utility of scientific data.
The developed grammar aids in automated analysis and comparison of NMR experiments.
Addressing challenges in iXML application can improve its broader use in scientific data management.