psims

psims generates standardized XML documents representing mass spectrometry experimental and identification data in the mzML and mzIdentML formats for standardized data exchange and analysis.

Key Features:

• Declarative Writing Approach: Defines mzML and mzIdentML files using native Python data structures.
• Unified API: Exposes a unified API for programmatic creation of mzML and mzIdentML files from Python scripts.
• Controlled Vocabulary Resolution System: Resolves and maps terms to controlled vocabularies to ensure standardized term usage in mzML and mzIdentML.
• Identity Tracking System: Tracks entity identities and relationships to maintain consistent referencing across XML elements.

Scientific Applications:

• Data Representation: Facilitates accurate representation and exchange of mass spectrometry experimental and identification data in mzML and mzIdentML formats.

Methodology:

psims uses native Python data structures to declaratively construct mzML and mzIdentML XML documents.