MetaDilutionR: Plasma Dilution Optimization Data for Untargeted Metabolomics

MetaDilutionR is an open-source R package dataset for standardizing plasma dilution optimization in untargeted metabolomics. The dataset includes log2-transformed data, summaries of linear features with optimal dilution ranges, and visual regression plot reports. It was authored by Keerthana Vinod Kumar and last updated on 2026-06-03.

Use Cases

• Automating the classification of metabolite features as linear or nonlinear based on user-adjustable slope and R² thresholds.
• Identifying metabolite-specific optimal dilution conditions to ensure quantification within the linear dynamic range.
• Benchmarking and comparing dilution optimization performance against established metabolomics workflows.
• Assessing potential ion suppression or detector saturation by analyzing nonlinear features 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, showing consistent performance beyond LC-HRMS.
• The package automates dilution assessments and executes 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 very small at 13.7 KB, indicating limited scope.

Provenance

Source

Keerthana Vinod Kumar via figshare

Collection Method

Data generated by the MetaDilutionR R package for systematic evaluation of electrospray ionization (ESI) linearity using plasma as a model.

Freshness

Last updated 2026-06-03 11:34:23; freshness should be verified.