Using i-PeakFinder™, an Automatic Peak Integration Algorithm, to Provide Labor Savings and Improve the Efficiency of Analytical Operations — Example of its Application to Organic Acid Analysis —

Importance of the topic

The rapid increase in chromatographic throughput has created a data‐analysis bottleneck in analytical chemistry laboratories. Conventional automatic peak integration algorithms often struggle with overlapping peaks, negative baselines, and matrix interferences, leading to time‐consuming manual corrections and inconsistent results. An accurate, fully automated peak integration solution is essential to maintain high productivity, data quality, and reproducibility as sample volumes continue to grow.

Objectives and Overview

This study introduces i-PeakFinder™, a new peak integration algorithm embedded in LabSolutions software, designed to mimic expert analyst behavior. The goal is to demonstrate its labor‐saving potential and improved reliability by applying it to high‐throughput organic acid analysis in a food matrix (cooking sake).

Methodology and Used Instrumentation

The analysis combined Shimadzu’s high‐speed Shim-pack Fast-OA columns (three 7.8 mm × 100 mm in series) with post‐column pH-buffered electrical conductivity detection. Key settings for i-PeakFinder included:

• Integration range: 5–15 min
• Detection threshold: S/N ratio corresponding to threshold value 40
• Baseline processing: automatic adjustment across the entire chromatogram

Instrumentation:

• HPLC system with Shim-pack Fast-OA analytical and guard columns
• Conductivity detector (CDD-10Avp)
• LabSolutions software with i-PeakFinder algorithm

Main Results and Discussion

Implementing i-PeakFinder achieved:

• Automatic shoulder peak detection and accurate baseline correction
• Area reproducibility (n = 6) with %RSD ≤ 1.5 % for most organic acids
• Separation and reliable integration of nine target acids, including phosphoric, citric, malic, succinic, lactic, acetic, pyroglutamic, pyruvic, and fumaric acids
• Reduction of data processing time per sample from 16.5 min to approximately 2 min (95 % decrease)

The algorithm maintained consistency with legacy methods while offering intuitive parameter adjustments for detection thresholds and integration ranges.

Benefits and Practical Applications

i-PeakFinder provides:

• Significant labor savings by eliminating manual peak integration
• Improved data consistency regardless of operator expertise
• Scalability for high-throughput QA/QC, food analysis, environmental monitoring, and metabolomics workflows

Future Trends and Possibilities

As analytical instruments continue to increase throughput, integration of machine learning and AI-driven algorithms like i-PeakFinder will expand. Future developments may include cloud‐based processing, real-time quality alerts, adaptive learning from ongoing analyses, and broader applicability across LC-MS, GC, and multi‐dimensional separations.

Conclusion

The i-PeakFinder algorithm effectively streamlines peak integration for complex chromatograms, delivering high reproducibility, reduced analysis time, and operator‐independent results. Its implementation addresses the critical bottleneck of data processing in modern analytical laboratories.

References

• Matsumoto, K. Using i-PeakFinder™, an Automatic Peak Integration Algorithm to Provide Labor Savings and Improve the Efficiency of Analytical Operations ―Example of its Application to Organic Acid Analysis―. Technical Report C190-E243, Shimadzu Corporation, 2019.
• Shimadzu Corporation. A New Peak Integration Algorithm for LabSolutions. Technical Report C191-E044, 2019.
• Shimadzu Corporation. High-Speed Analysis of Organic Acids Using Shim-pack Fast-OA and pH-Buffered Electrical Conductivity Detection. Technical Report C190-E237A, 2019.