MetaDilutionR: Plasma Dilution Optimization Data for Untargeted Metabolomics

An R package dataset for standardizing dilution optimization in untargeted metabolomics using plasma as a model. The package, MetaDilutionR, automates assessments of electrospray ionization linearity and was benchmarked against three established metabolomics workflows. It was authored by Keerthana Vinod Kumar and last updated on June 3, 2026.

Use Cases

• Classifying metabolite features as linear or nonlinear based on user-adjustable slope and R² thresholds.
• Identifying optimal dilution ranges for specific metabolites to operate within the linear dynamic range.
• Highlighting potential ion suppression or detector saturation by analyzing nonlinear features.
• Generating visual regression plot reports for detailed evaluation across dilution scenarios.

Strengths

• Algorithm was benchmarked against three established metabolomics workflows, demonstrating reduced false-positive linear assignments.
• Cross-platform applicability was confirmed on an independent GC-MS dataset beyond LC-HRMS.
• The package automates the complete analysis via a single function call, ensuring algorithmic reproducibility.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small at 34.4 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Data generated by the MetaDilutionR R package for systematic dilution assessment.

Freshness

Last updated 2026-06-03 11:34:33; freshness should be verified.