bio-metabolomics-targeted-analysis

What problem does it solve?

Provides a reproducible workflow to convert MRM/SRM peak areas into absolute metabolite concentrations, handling calibration curves, internal standard normalization, and validation metrics so researchers can report reliable quantitative results.

Core Features & Use Cases

• Build and fit calibration curves (linear, log-log, weighted 1/x or 1/x^2) and compute R² for quality assessment.
• Back-calculate sample concentrations from Skyline or instrument export files and apply dilution factors and internal standard normalization.
• Compute method validation metrics (accuracy, precision/CV, bias), determine LOD and LOQ from residuals or blanks, and flag QC failures.
• Use Case: Quantify multiple analytes from Skyline export, validate assay performance with low/medium/high QC levels, and export a results table with QC flags for reporting.

Quick Start

Quantify metabolites by asking the agent to build weighted calibration curves from my standard series, back-calculate sample concentrations from the Skyline export, normalize by internal standards, compute CV/accuracy for QCs, and export a CSV of final concentrations.