imzML Parser in OpenMS
Mass spectrometry imaging (MSI) is a powerful analytical technique that enables spatial mapping of molecules within biological tissues. The imzML format is the open standard for storing MSI data, consisting of an XML metadata file and an associated binary data file. OpenMS currently lacks native support for reading and writing this format. The goal of this project is to implement a robust imzML parser in OpenMS, enabling seamless integration of mass spectrometry imaging data into existing OpenMS workflows and applications. The proposed solution already demonstrates the ability to load and parse both continuous and processed imzML formats, including support for large datasets. The implementation has been benchmarked against pyimzML for validation and consistency. This project will further extend the work by integrating with OpenMS Python bindings (currently under development), while identifying potential challenges and outlining strategies and solutions to address them. Tasks: Implement a C++ imzML reader capable of parsing both continuous and processed imzML formats Develop an imzML writer to support exporting imaging data Add support for essential imzML metadata, including spatial coordinates, pixel size, and spectrum-level parameters Integrate the parser with existing OpenMS data structures (e.g., MSExperiment, MSSpectrum) Write comprehensive unit tests and validate functionality against reference imzML datasets Document the implementation and provide clear usage examples.
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