mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format.

Area of Science:

• Analytical Chemistry
• Biochemistry
• Data Science

Background:

• Mass spectrometry (MS) instrumentation advances generate vast, complex data, challenging existing formats like mzML and imzML.
• Current formats face issues with large file sizes, slow data access, and inadequate metadata support, hindering high-throughput omics studies.
• Vendor-specific formats lack interoperability and long-term archival assurance.

Purpose of the Study:

• Introduce mzPeak, a next-generation community data format for mass spectrometry.
• Address challenges posed by increasing data volume and complexity in multidimensional MS workflows.
• Provide a scalable and adaptable solution for evolving MS technologies and omics research.

Main Methods:

• Develop mzPeak using a hybrid model combining efficient binary storage for numerical data.
• Incorporate human- and machine-readable metadata storage within the mzPeak format.
• Design mzPeak to reduce file sizes and accelerate data access for mass spectrometry data.

Main Results:

• mzPeak is designed to significantly reduce file sizes compared to current open formats.
• The new format promises accelerated data access, crucial for high-throughput mass spectrometry.
• mzPeak offers improved metadata support and interoperability for diverse MS applications.

Conclusions:

• mzPeak provides a sustainable, high-performance solution for mass spectrometry data management.
• The format aims to foster collaboration and support regulatory compliance in omics research.
• mzPeak is positioned to become a cornerstone for future mass spectrometry data types and workflows.