MetaDilutionR: Plasma Metabolomics Data for ESI Linearity Assessment

An open-source R package dataset for standardizing plasma dilution optimization in untargeted metabolomics. The package automates assessments of electrospray ionization linearity using user-adjustable slope and R² thresholds to classify features. Benchmarking against three established workflows demonstrated that the MetaDilutionR criterion reduces false-positive linear assignments.

Use Cases

• Identifying metabolite-specific optimal dilution ranges based on slope and R² thresholds.
• Classifying features as linear or nonlinear to highlight potential ion suppression or detector saturation.
• Generating visual regression plot reports for detailed evaluation across dilution scenarios.
• Integrating systematic dilution optimization into existing untargeted metabolomics pipelines.

Strengths

• Algorithm was benchmarked against three established metabolomics workflows.
• Cross-platform applicability was confirmed on an independent GC-MS dataset.
• Package automates the complete analysis via a single function call for algorithmic reproducibility.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Dataset size is 119.8 KB, indicating a very limited scope, likely containing summary or example data rather than raw experimental results.

Provenance

Source

figshare

Collection Method

Data generated by the MetaDilutionR R package for systematic evaluation of electrospray ionization linearity.

Freshness

Last updated 2026-06-03 11:34:29