Changelog

Source: NEWS.md

mwbenchr 0.0.1

New Features

Initial Release

• Client Management: Implemented REST client with configurable caching, timeouts, and error handling
• Study Access: Complete suite of functions for accessing study data, metadata, and experimental factors
• Compound Information: Retrieve detailed compound data using registry numbers, PubChem CIDs, and classifications
• RefMet Integration: Full support for RefMet standardized metabolite nomenclature
• Mass Spectrometry Tools: Search compounds by accurate mass and calculate exact masses for lipids
• Advanced Search: MetStat integration for multi-criteria study searches
• Data Processing: Intelligent response parsing with support for different API response formats

Core Functions

• mw_rest_client(): Initialize API client with configuration options
• get_study_summary(), get_study_factors(), get_study_metabolites(), get_study_data(): Study data access
• get_compound_by_regno(), get_compound_by_pubchem_cid(), get_compound_classification(): Compound information
• get_refmet_by_name(), standardize_to_refmet(), get_all_refmet_names(): RefMet integration
  
• search_metstat(): Multi-criteria study search
• search_by_mass(), calculate_exact_mass(): Mass spectrometry tools
• response_to_df(), flatten_entry(): Data processing utilities

Package Infrastructure

• Documentation: Detailed function documentation with examples
• Vignette: Complete tutorial with real-world workflows
• Testing: Full test suite with >90% code coverage
• Bioconductor: Compliant with Bioconductor standards and guidelines
• Error Handling: Robust error messages and automatic retry logic
• Performance: Built-in caching and rate limiting support

Technical Details

• Dependencies: R packages (httr2, tibble, dplyr, purrr)
• Compatibility: R >= 4.3.0, all major platforms
• API Version: Metabolomics Workbench REST API v1.2
• Data Format: Returns tidy data frames (tibbles) for easy analysis